Daily Papers

Automating Register Transfer Level (RTL) code generation using Large Language Models (LLMs) offers substantial promise for streamlining digital circuit design and reducing human effort. However, current LLM-based approaches face significant challenges with training data scarcity, poor specification-code alignment, lack of verification mechanisms, and balancing generalization with specialization. Inspired by DeepSeek-R1, we introduce VeriReason, a framework integrating supervised fine-tuning with Guided Reward Proximal Optimization (GRPO) reinforcement learning for RTL generation. Using curated training examples and a feedback-driven reward model, VeriReason combines testbench evaluations with structural heuristics while embedding self-checking capabilities for autonomous error correction. On the VerilogEval Benchmark, VeriReason delivers significant improvements: achieving 83.1% functional correctness on the VerilogEval Machine benchmark, substantially outperforming both comparable-sized models and much larger commercial systems like GPT-4 Turbo. Additionally, our approach demonstrates up to a 2.8X increase in first-attempt functional correctness compared to baseline methods and exhibits robust generalization to unseen designs. To our knowledge, VeriReason represents the first system to successfully integrate explicit reasoning capabilities with reinforcement learning for Verilog generation, establishing a new state-of-the-art for automated RTL synthesis. The models and datasets are available at: https://huggingface.co/collections/AI4EDA-CASE Code is Available at: https://github.com/NellyW8/VeriReason

Instruction-tuned Large Language Models (It-LLMs) have been exhibiting outstanding abilities to reason around cognitive states, intentions, and reactions of all people involved, letting humans guide and comprehend day-to-day social interactions effectively. In fact, several multiple-choice questions (MCQ) benchmarks have been proposed to construct solid assessments of the models' abilities. However, earlier works are demonstrating the presence of inherent "order bias" in It-LLMs, posing challenges to the appropriate evaluation. In this paper, we investigate It-LLMs' resilience abilities towards a series of probing tests using four MCQ benchmarks. Introducing adversarial examples, we show a significant performance gap, mainly when varying the order of the choices, which reveals a selection bias and brings into discussion reasoning abilities. Following a correlation between first positions and model choices due to positional bias, we hypothesized the presence of structural heuristics in the decision-making process of the It-LLMs, strengthened by including significant examples in few-shot scenarios. Finally, by using the Chain-of-Thought (CoT) technique, we elicit the model to reason and mitigate the bias by obtaining more robust models.

Heuristics are widely used for dealing with complex search and optimization problems. However, manual design of heuristics can be often very labour extensive and requires rich working experience and knowledge. This paper proposes Evolution of Heuristic (EoH), a novel evolutionary paradigm that leverages both Large Language Models (LLMs) and Evolutionary Computation (EC) methods for Automatic Heuristic Design (AHD). EoH represents the ideas of heuristics in natural language, termed thoughts. They are then translated into executable codes by LLMs. The evolution of both thoughts and codes in an evolutionary search framework makes it very effective and efficient for generating high-performance heuristics. Experiments on three widely studied combinatorial optimization benchmark problems demonstrate that EoH outperforms commonly used handcrafted heuristics and other recent AHD methods including FunSearch. Particularly, the heuristic produced by EoH with a low computational budget (in terms of the number of queries to LLMs) significantly outperforms widely-used human hand-crafted baseline algorithms for the online bin packing problem.

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

The recently presented idea to learn heuristics for combinatorial optimization problems is promising as it can save costly development. However, to push this idea towards practical implementation, we need better models and better ways of training. We contribute in both directions: we propose a model based on attention layers with benefits over the Pointer Network and we show how to train this model using REINFORCE with a simple baseline based on a deterministic greedy rollout, which we find is more efficient than using a value function. We significantly improve over recent learned heuristics for the Travelling Salesman Problem (TSP), getting close to optimal results for problems up to 100 nodes. With the same hyperparameters, we learn strong heuristics for two variants of the Vehicle Routing Problem (VRP), the Orienteering Problem (OP) and (a stochastic variant of) the Prize Collecting TSP (PCTSP), outperforming a wide range of baselines and getting results close to highly optimized and specialized algorithms.

We consider enhancing large language models (LLMs) for complex planning tasks. While existing methods allow LLMs to explore intermediate steps to make plans, they either depend on unreliable self-verification or external verifiers to evaluate these steps, which demand significant data and computations. Here, we propose automated heuristics discovery (AutoHD), a novel approach that enables LLMs to explicitly generate heuristic functions to guide inference-time search, allowing accurate evaluation of intermediate states. These heuristic functions are further refined through a heuristic evolution process, improving their robustness and effectiveness. Our proposed method requires no additional model training or fine-tuning, and the explicit definition of heuristic functions generated by the LLMs provides interpretability and insights into the reasoning process. Extensive experiments across diverse benchmarks demonstrate significant gains over multiple baselines, including nearly twice the accuracy on some datasets, establishing our approach as a reliable and interpretable solution for complex planning tasks.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to assist them in their work poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structural design, incurring high learning costs and it is not conducive to the iterative updating of prompts, especially for non-AI experts. Inspired by structured reusable programming languages, we propose LangGPT, a structural prompt design framework. Furthermore, we introduce Minstrel, a multi-generative agent system with reflection to automate the generation of structural prompts. Experiments and the case study illustrate that structural prompts generated by Minstrel or written manually significantly enhance the performance of LLMs. Furthermore, we analyze the ease of use of structural prompts through a user survey in our online community.

Structure reasoning is a fundamental capability of large language models (LLMs), enabling them to reason about structured commonsense and answer multi-hop questions. However, existing benchmarks for structure reasoning mainly focus on horizontal and coordinate structures (e.g. graphs), overlooking the hierarchical relationships within them. Hierarchical structure reasoning is crucial for human cognition, particularly in memory organization and problem-solving. It also plays a key role in various real-world tasks, such as information extraction and decision-making. To address this gap, we propose HiBench, the first framework spanning from initial structure generation to final proficiency assessment, designed to benchmark the hierarchical reasoning capabilities of LLMs systematically. HiBench encompasses six representative scenarios, covering both fundamental and practical aspects, and consists of 30 tasks with varying hierarchical complexity, totaling 39,519 queries. To evaluate LLMs comprehensively, we develop five capability dimensions that depict different facets of hierarchical structure understanding. Through extensive evaluation of 20 LLMs from 10 model families, we reveal key insights into their capabilities and limitations: 1) existing LLMs show proficiency in basic hierarchical reasoning tasks; 2) they still struggle with more complex structures and implicit hierarchical representations, especially in structural modification and textual reasoning. Based on these findings, we create a small yet well-designed instruction dataset, which enhances LLMs' performance on HiBench by an average of 88.84\% (Llama-3.1-8B) and 31.38\% (Qwen2.5-7B) across all tasks. The HiBench dataset and toolkit are available here, https://github.com/jzzzzh/HiBench, to encourage evaluation.

Domain-independent heuristics have long been a cornerstone of AI planning, offering general solutions applicable across a wide range of tasks without requiring domain-specific engineering. However, the advent of large language models (LLMs) presents an opportunity to generate heuristics tailored to specific planning problems, potentially challenging the necessity of domain independence as a strict design principle. In this paper, we explore the use of LLMs to automatically derive planning heuristics from task descriptions represented as successor generators and goal tests written in general purpose programming language. We investigate the trade-offs between domain-specific LLM-generated heuristics and traditional domain-independent methods in terms of computational efficiency and explainability. Our experiments demonstrate that LLMs can create heuristics that achieve state-of-the-art performance on some standard IPC domains, as well as their ability to solve problems that lack an adequate Planning Domain Definition Language ({\sc pddl}) representation. We discuss whether these results signify a paradigm shift and how they can complement existing approaches.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

Learning heuristics for vehicle routing problems (VRPs) has gained much attention due to the less reliance on hand-crafted rules. However, existing methods are typically trained and tested on the same task with a fixed size and distribution (of nodes), and hence suffer from limited generalization performance. This paper studies a challenging yet realistic setting, which considers generalization across both size and distribution in VRPs. We propose a generic meta-learning framework, which enables effective training of an initialized model with the capability of fast adaptation to new tasks during inference. We further develop a simple yet efficient approximation method to reduce the training overhead. Extensive experiments on both synthetic and benchmark instances of the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP) demonstrate the effectiveness of our method. The code is available at: https://github.com/RoyalSkye/Omni-VRP.

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt engineering coupled with structures has emerged as a promising paradigm, with designs such as Chain-of-Thought, Tree of Thoughts, or Graph of Thoughts, in which the overall LLM reasoning is guided by a structure such as a graph. As illustrated with numerous examples, this paradigm significantly enhances the LLM's capability to solve numerous tasks, ranging from logical or mathematical reasoning to planning or creative writing. To facilitate the understanding of this growing field and pave the way for future developments, we devise a general blueprint for effective and efficient LLM reasoning schemes. For this, we conduct an in-depth analysis of the prompt execution pipeline, clarifying and clearly defining different concepts. We then build the first taxonomy of structure-enhanced LLM reasoning schemes. We focus on identifying fundamental classes of harnessed structures, and we analyze the representations of these structures, algorithms executed with these structures, and many others. We refer to these structures as reasoning topologies, because their representation becomes to a degree spatial, as they are contained within the LLM context. Our study compares existing prompting schemes using the proposed taxonomy, discussing how certain design choices lead to different patterns in performance and cost. We also outline theoretical underpinnings, relationships between prompting and others parts of the LLM ecosystem such as knowledge bases, and the associated research challenges. Our work will help to advance future prompt engineering techniques.

Cognitive psychologists have documented that humans use cognitive heuristics, or mental shortcuts, to make quick decisions while expending less effort. While performing annotation work on crowdsourcing platforms, we hypothesize that such heuristic use among annotators cascades on to data quality and model robustness. In this work, we study cognitive heuristic use in the context of annotating multiple-choice reading comprehension datasets. We propose tracking annotator heuristic traces, where we tangibly measure low-effort annotation strategies that could indicate usage of various cognitive heuristics. We find evidence that annotators might be using multiple such heuristics, based on correlations with a battery of psychological tests. Importantly, heuristic use among annotators determines data quality along several dimensions: (1) known biased models, such as partial input models, more easily solve examples authored by annotators that rate highly on heuristic use, (2) models trained on annotators scoring highly on heuristic use don't generalize as well, and (3) heuristic-seeking annotators tend to create qualitatively less challenging examples. Our findings suggest that tracking heuristic usage among annotators can potentially help with collecting challenging datasets and diagnosing model biases.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

A popular approach for sequential decision-making is to perform simulator-based search guided with Machine Learning (ML) methods like policy learning. On the other hand, model-relaxation heuristics can guide the search effectively if a full declarative model is available. In this work, we consider how a practitioner can improve ML-based black-box planning on settings where a complete symbolic model is not available. We show that specifying an incomplete STRIPS model that describes only part of the problem enables the use of relaxation heuristics. Our findings on several planning domains suggest that this is an effective way to improve ML-based black-box planning beyond collecting more data or tuning ML architectures.

Combinatorial Optimization underpins many real-world applications and yet, designing performant algorithms to solve these complex, typically NP-hard, problems remains a significant research challenge. Reinforcement Learning (RL) provides a versatile framework for designing heuristics across a broad spectrum of problem domains. However, despite notable progress, RL has not yet supplanted industrial solvers as the go-to solution. Current approaches emphasize pre-training heuristics that construct solutions but often rely on search procedures with limited variance, such as stochastically sampling numerous solutions from a single policy or employing computationally expensive fine-tuning of the policy on individual problem instances. Building on the intuition that performant search at inference time should be anticipated during pre-training, we propose COMPASS, a novel RL approach that parameterizes a distribution of diverse and specialized policies conditioned on a continuous latent space. We evaluate COMPASS across three canonical problems - Travelling Salesman, Capacitated Vehicle Routing, and Job-Shop Scheduling - and demonstrate that our search strategy (i) outperforms state-of-the-art approaches on 11 standard benchmarking tasks and (ii) generalizes better, surpassing all other approaches on a set of 18 procedurally transformed instance distributions.

Intrigued by the claims of emergent reasoning capabilities in LLMs trained on general web corpora, in this paper, we set out to investigate their planning capabilities. We aim to evaluate (1) the effectiveness of LLMs in generating plans autonomously in commonsense planning tasks and (2) the potential of LLMs as a source of heuristic guidance for other agents (AI planners) in their planning tasks. We conduct a systematic study by generating a suite of instances on domains similar to the ones employed in the International Planning Competition and evaluate LLMs in two distinct modes: autonomous and heuristic. Our findings reveal that LLMs' ability to generate executable plans autonomously is rather limited, with the best model (GPT-4) having an average success rate of ~12% across the domains. However, the results in the heuristic mode show more promise. In the heuristic mode, we demonstrate that LLM-generated plans can improve the search process for underlying sound planners and additionally show that external verifiers can help provide feedback on the generated plans and back-prompt the LLM for better plan generation.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of "slow thinking" into multimodal large language models (MLLMs). Our core idea is that different levels of reasoning abilities can be combined dynamically to tackle questions with different complexity. To this end, we propose a paradigm of Self-structured Chain of Thought (SCoT), which is composed of minimal semantic atomic steps. Different from existing methods that rely on structured templates or free-form paradigms, our method can not only generate cognitive CoT structures for various complex tasks but also mitigates the phenomenon of overthinking. To introduce structured reasoning capabilities into visual understanding models, we further design a novel AtomThink framework with four key modules, including (i) a data engine to generate high-quality multimodal reasoning paths; (ii) a supervised fine-tuning process with serialized inference data; (iii) a policy-guided multi-turn inference method; and (iv) an atomic capability metric to evaluate the single step utilization rate. We conduct extensive experiments to show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving more than 10\% average accuracy gains on MathVista and MathVerse. Compared to state-of-the-art structured CoT approaches, our method not only achieves higher accuracy but also improves data utilization by 5 times and boosts inference efficiency by 85.3\%. Our code is now public available in https://github.com/Quinn777/AtomThink.

Estimating the structure of directed acyclic graphs (DAGs, also known as Bayesian networks) is a challenging problem since the search space of DAGs is combinatorial and scales superexponentially with the number of nodes. Existing approaches rely on various local heuristics for enforcing the acyclicity constraint. In this paper, we introduce a fundamentally different strategy: We formulate the structure learning problem as a purely continuous optimization problem over real matrices that avoids this combinatorial constraint entirely. This is achieved by a novel characterization of acyclicity that is not only smooth but also exact. The resulting problem can be efficiently solved by standard numerical algorithms, which also makes implementation effortless. The proposed method outperforms existing ones, without imposing any structural assumptions on the graph such as bounded treewidth or in-degree. Code implementing the proposed algorithm is open-source and publicly available at https://github.com/xunzheng/notears.

This work studies a central extremal graph theory problem inspired by a 1975 conjecture of Erdos, which aims to find graphs with a given size (number of nodes) that maximize the number of edges without having 3- or 4-cycles. We formulate this problem as a sequential decision-making problem and compare AlphaZero, a neural network-guided tree search, with tabu search, a heuristic local search method. Using either method, by introducing a curriculum -- jump-starting the search for larger graphs using good graphs found at smaller sizes -- we improve the state-of-the-art lower bounds for several sizes. We also propose a flexible graph-generation environment and a permutation-invariant network architecture for learning to search in the space of graphs.

Large Language Models (LLMs) have demonstrated impressive planning abilities due to their vast "world knowledge". Yet, obtaining plans that are both feasible (grounded in affordances) and cost-effective (in plan length), remains a challenge, despite recent progress. This contrasts with heuristic planning methods that employ domain knowledge (formalized in action models such as PDDL) and heuristic search to generate feasible, optimal plans. Inspired by this, we propose to combine the power of LLMs and heuristic planning by leveraging the world knowledge of LLMs and the principles of heuristic search. Our approach, SayCanPay, employs LLMs to generate actions (Say) guided by learnable domain knowledge, that evaluates actions' feasibility (Can) and long-term reward/payoff (Pay), and heuristic search to select the best sequence of actions. Our contributions are (1) a novel framing of the LLM planning problem in the context of heuristic planning, (2) integrating grounding and cost-effective elements into the generated plans, and (3) using heuristic search over actions. Our extensive evaluations show that our model surpasses other LLM planning approaches.

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

Since the emergence of large language models, prompt learning has become a popular method for optimizing and customizing these models. Special prompts, such as Chain-of-Thought, have even revealed previously unknown reasoning capabilities within these models. However, the progress of discovering effective prompts has been slow, driving a desire for general prompt optimization methods. Unfortunately, few existing prompt learning methods satisfy the criteria of being truly "general", i.e., automatic, discrete, black-box, gradient-free, and interpretable all at once. In this paper, we introduce metaheuristics, a branch of discrete non-convex optimization methods with over 100 options, as a promising approach to prompt learning. Within our paradigm, we test six typical methods: hill climbing, simulated annealing, genetic algorithms with/without crossover, tabu search, and harmony search, demonstrating their effectiveness in black-box prompt learning and Chain-of-Thought prompt tuning. Furthermore, we show that these methods can be used to discover more human-understandable prompts that were previously unknown, opening the door to a cornucopia of possibilities in prompt optimization. We release all the codes in https://github.com/research4pan/Plum.

Bundle adjustment is the common way to solve localization and mapping. It is an iterative process in which a system of non-linear equations is solved using two optimization methods, weighted by a damping factor. In the classic approach, the latter is chosen heuristically by the Levenberg-Marquardt algorithm on each iteration. This might take many iterations, making the process computationally expensive, which might be harmful to real-time applications. We propose to replace this heuristic by viewing the problem in a holistic manner, as a game, and formulating it as a reinforcement-learning task. We set an environment which solves the non-linear equations and train an agent to choose the damping factor in a learned manner. We demonstrate that our approach considerably reduces the number of iterations required to reach the bundle adjustment's convergence, on both synthetic and real-life scenarios. We show that this reduction benefits the classic approach and can be integrated with other bundle adjustment acceleration methods.

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

LLMs exhibit advanced reasoning capabilities, offering the potential to transform natural language questions into mathematical models. However, existing open-source datasets in operations research domain lack detailed annotations of the modeling process, such as variable definitions, focusing solely on objective values, which hinders reinforcement learning applications. To address this, we release the StructuredOR dataset, annotated with comprehensive labels that capture the complete mathematical modeling process. We further propose BPP-Search, a algorithm that integrates reinforcement learning into a tree-of-thought structure using Beam search, a Process reward model, and a pairwise Preference algorithm. This approach enables efficient exploration of tree structures, avoiding exhaustive search while improving accuracy. Extensive experiments on StructuredOR, NL4OPT, and MAMO-ComplexLP datasets show that BPP-Search significantly outperforms state-of-the-art methods. In tree-based reasoning, BPP-Search excels in accuracy and efficiency, enabling faster retrieval of correct solutions.

In this paper, we present and implement a multi-dimensional, modular framework for performing deep argument analysis (DeepA2) using current pre-trained language models (PTLMs). ArgumentAnalyst -- a T5 model (Raffel et al. 2020) set up and trained within DeepA2 -- reconstructs argumentative texts, which advance an informal argumentation, as valid arguments: It inserts, e.g., missing premises and conclusions, formalizes inferences, and coherently links the logical reconstruction to the source text. We create a synthetic corpus for deep argument analysis, and evaluate ArgumentAnalyst on this new dataset as well as on existing data, specifically EntailmentBank (Dalvi et al. 2021). Our empirical findings vindicate the overall framework and highlight the advantages of a modular design, in particular its ability to emulate established heuristics (such as hermeneutic cycles), to explore the model's uncertainty, to cope with the plurality of correct solutions (underdetermination), and to exploit higher-order evidence.

A commonly used heuristic in RL is experience replay (e.g.~lin1993reinforcement, mnih2015human), in which a learner stores and re-uses past trajectories as if they were sampled online. In this work, we initiate a rigorous study of this heuristic in the setting of tabular Q-learning. We provide a convergence rate guarantee, and discuss how it compares to the convergence of Q-learning depending on important parameters such as the frequency and number of replay iterations. We also provide theoretical evidence showing when we might expect this heuristic to strictly improve performance, by introducing and analyzing a simple class of MDPs. Finally, we provide some experiments to support our theoretical findings.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

This paper develops a new mathematical-statistical approach to analyze a class of Flajolet-Martin algorithms (FMa), and provides analytical confidence intervals for the number F0 of distinct elements in a stream, based on Chernoff bounds. The class of FMa has reached a significant popularity in bigdata stream learning, and the attention of the literature has mainly been based on algorithmic aspects, basically complexity optimality, while the statistical analysis of these class of algorithms has been often faced heuristically. The analysis provided here shows deep connections with mathematical special functions and with extreme value theory. The latter connection may help in explaining heuristic considerations, while the first opens many numerical issues, faced at the end of the present paper. Finally, the algorithms are tested on an anonymized real data stream and MonteCarlo simulations are provided to support our analytical choice in this context.

Recent years have seen considerable advancements in multi-step reasoning with Large Language Models (LLMs). The previous studies have elucidated the merits of integrating feedback or search mechanisms during model inference to improve the reasoning accuracy. The Process-Supervised Reward Model (PRM), typically furnishes LLMs with step-by-step feedback during the training phase, akin to Proximal Policy Optimization (PPO) or reject sampling. Our objective is to examine the efficacy of PRM in the inference phase to help discern the optimal solution paths for multi-step tasks such as mathematical reasoning and code generation. To this end, we propose a heuristic greedy search algorithm that employs the step-level feedback from PRM to optimize the reasoning pathways explored by LLMs. This tailored PRM demonstrated enhanced results compared to the Chain of Thought (CoT) on mathematical benchmarks like GSM8K and MATH. Additionally, to explore the versatility of our approach, we develop a novel method to automatically generate step-level reward dataset for coding tasks and observed similar improved performance in the code generation tasks. Thus highlighting the robust nature of our reward-model-based approach to inference for reasoning tasks.

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using three test networks, two NDP variants and an exact solver as benchmark, we show that on average, our proposed framework can provide solutions within 1.5% gap of the best results in less than 0.5% of the time used by the exact solution procedure. Our framework can be utilized within an expert system for infrastructure planning to determine the best infrastructure planning and management decisions under different scenarios. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we foreseen interesting future research directions, thus we also put forward a brief research agenda for this topic. The key observation from our research that can shape future research is that the fitness function evaluation time using the inferences made by the GNN model was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by deep learning models, and 2) can use the significantly enlarged efficiency of the evaluation step to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

Navigation in unfamiliar environments presents a major challenge for robots: while mapping and planning techniques can be used to build up a representation of the world, quickly discovering a path to a desired goal in unfamiliar settings with such methods often requires lengthy mapping and exploration. Humans can rapidly navigate new environments, particularly indoor environments that are laid out logically, by leveraging semantics -- e.g., a kitchen often adjoins a living room, an exit sign indicates the way out, and so forth. Language models can provide robots with such knowledge, but directly using language models to instruct a robot how to reach some destination can also be impractical: while language models might produce a narrative about how to reach some goal, because they are not grounded in real-world observations, this narrative might be arbitrarily wrong. Therefore, in this paper we study how the ``semantic guesswork'' produced by language models can be utilized as a guiding heuristic for planning algorithms. Our method, Language Frontier Guide (LFG), uses the language model to bias exploration of novel real-world environments by incorporating the semantic knowledge stored in language models as a search heuristic for planning with either topological or metric maps. We evaluate LFG in challenging real-world environments and simulated benchmarks, outperforming uninformed exploration and other ways of using language models.

In most current research, large language models (LLMs) are able to perform reasoning tasks by generating chains of thought through the guidance of specific prompts. However, there still exists a significant discrepancy between their capability in solving complex reasoning problems and that of humans. At present, most approaches focus on chains of thought (COT) and tool use, without considering the adoption and application of human cognitive frameworks. It is well-known that when confronting complex reasoning challenges, humans typically employ various cognitive abilities, and necessitate interaction with all aspects of tools, knowledge, and the external environment information to accomplish intricate tasks. This paper introduces a novel intelligent framework, referred to as OlaGPT. OlaGPT carefully studied a cognitive architecture framework, and propose to simulate certain aspects of human cognition. The framework involves approximating different cognitive modules, including attention, memory, reasoning, learning, and corresponding scheduling and decision-making mechanisms. Inspired by the active learning mechanism of human beings, it proposes a learning unit to record previous mistakes and expert opinions, and dynamically refer to them to strengthen their ability to solve similar problems. The paper also outlines common effective reasoning frameworks for human problem-solving and designs Chain-of-Thought (COT) templates accordingly. A comprehensive decision-making mechanism is also proposed to maximize model accuracy. The efficacy of OlaGPT has been stringently evaluated on multiple reasoning datasets, and the experimental outcomes reveal that OlaGPT surpasses state-of-the-art benchmarks, demonstrating its superior performance. Our implementation of OlaGPT is available on GitHub: https://github.com/oladata-team/OlaGPT.

We introduce a novel dataset designed to benchmark the physical and spatial reasoning capabilities of Large Language Models (LLM) based on topology optimization, a method for computing optimal material distributions within a design space under prescribed loads and supports. In this dataset, LLMs are provided with conditions such as 2D boundary, applied forces and supports, and must reason about the resulting optimal material distribution. The dataset includes a variety of tasks, ranging from filling in masked regions within partial structures to predicting complete material distributions. Solving these tasks requires understanding the flow of forces and the required material distribution under given constraints, without access to simulation tools or explicit physical models, challenging models to reason about structural stability and spatial organization. Our dataset targets the evaluation of spatial and physical reasoning abilities in 2D settings, offering a complementary perspective to traditional language and logic benchmarks.

Pre-trained language models (PLMs) have shown impressive performance in various language tasks. However, they are prone to spurious correlations, and often generate illusory information. In real-world applications, PLMs should justify decisions with formalized, coherent reasoning chains, but this challenge remains under-explored. Cognitive psychology theorizes that humans are capable of utilizing fast and intuitive heuristic thinking to make decisions based on past experience, then rationalizing the decisions through slower and deliberative analytic reasoning. We incorporate these interlinked dual processes in fine-tuning and in-context learning with PLMs, applying them to two language understanding tasks that require coherent physical commonsense reasoning. We show that our proposed Heuristic-Analytic Reasoning (HAR) strategies drastically improve the coherence of rationalizations for model decisions, yielding state-of-the-art results on Tiered Reasoning for Intuitive Physics (TRIP). We also find that this improved coherence is a direct result of more faithful attention to relevant language context in each step of reasoning. Our findings suggest that human-like reasoning strategies can effectively improve the coherence and reliability of PLM reasoning.

We tackle real-world problems with complex structures beyond the pixel-based game or simulator. We formulate it as a few-shot reinforcement learning problem where a task is characterized by a subtask graph that defines a set of subtasks and their dependencies that are unknown to the agent. Different from the previous meta-rl methods trying to directly infer the unstructured task embedding, our multi-task subtask graph inferencer (MTSGI) first infers the common high-level task structure in terms of the subtask graph from the training tasks, and use it as a prior to improve the task inference in testing. Our experiment results on 2D grid-world and complex web navigation domains show that the proposed method can learn and leverage the common underlying structure of the tasks for faster adaptation to the unseen tasks than various existing algorithms such as meta reinforcement learning, hierarchical reinforcement learning, and other heuristic agents.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to instruct LLMs proficiently poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structured design template, incurring high learning costs and resulting in low reusability. In addition, it is not conducive to the iterative updating of prompts. Inspired by structured reusable programming languages, we propose LangGPT, a dual-layer prompt design framework as the programming language for LLMs. LangGPT has an easy-to-learn normative structure and provides an extended structure for migration and reuse. Experiments illustrate that LangGPT significantly enhances the performance of LLMs. Moreover, the case study shows that LangGPT leads LLMs to generate higher-quality responses. Furthermore, we analyzed the ease of use and reusability of LangGPT through a user survey in our online community.

Large language models (LLMs) have shown impressive performance in various reasoning benchmarks with the emergence of Chain-of-Thought (CoT) and its derivative methods, particularly in tasks involving multi-choice questions (MCQs). However, current works all process data uniformly without considering the problem-solving difficulty, which means an excessive focus on simple questions while insufficient to intricate ones. To address this challenge, we inspired by humans using heuristic strategies to categorize tasks and handle them individually, propose to apply the Divide and Conquer to LLMs reasoning. First, we divide questions into different subsets based on the statistical confidence score (CS), then fix nearly resolved sets and conquer demanding nuanced process ones with elaborately designed methods, including Prior Knowledge based Reasoning (PKR) and Filter Choices based Reasoning (FCR), as well as their integration variants. Our experiments demonstrate that this proposed strategy significantly boosts the models' reasoning abilities across nine datasets involving arithmetic, commonsense, and logic tasks. For instance, compared to baseline, we make a striking improvement on low confidence subsets of 8.72\% for AQuA, 15.07\% for ARC Challenge and 7.71\% for RiddleSense. In addition, through extensive analysis on length of rationale and number of options, we verify that longer reasoning paths in PKR could prevent models from referring infer-harmful shortcuts, and also find that removing irrelevant choices in FCR would substantially avoid models' confusion. The code is at https://github.com/AiMijie/Divide-and-Conquer

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

We propose a novel framework, Meta Chain-of-Thought (Meta-CoT), which extends traditional Chain-of-Thought (CoT) by explicitly modeling the underlying reasoning required to arrive at a particular CoT. We present empirical evidence from state-of-the-art models exhibiting behaviors consistent with in-context search, and explore methods for producing Meta-CoT via process supervision, synthetic data generation, and search algorithms. Finally, we outline a concrete pipeline for training a model to produce Meta-CoTs, incorporating instruction tuning with linearized search traces and reinforcement learning post-training. Finally, we discuss open research questions, including scaling laws, verifier roles, and the potential for discovering novel reasoning algorithms. This work provides a theoretical and practical roadmap to enable Meta-CoT in LLMs, paving the way for more powerful and human-like reasoning in artificial intelligence.

Go-Explore is a powerful family of algorithms designed to solve hard-exploration problems, built on the principle of archiving discovered states, and iteratively returning to and exploring from the most promising states. This approach has led to superhuman performance across a wide variety of challenging problems including Atari games and robotic control, but requires manually designing heuristics to guide exploration, which is time-consuming and infeasible in general. To resolve this, we propose Intelligent Go-Explore (IGE) which greatly extends the scope of the original Go-Explore by replacing these heuristics with the intelligence and internalized human notions of interestingness captured by giant foundation models (FMs). This provides IGE with a human-like ability to instinctively identify how interesting or promising any new state is (e.g. discovering new objects, locations, or behaviors), even in complex environments where heuristics are hard to define. Moreover, IGE offers the exciting and previously impossible opportunity to recognize and capitalize on serendipitous discoveries that cannot be predicted ahead of time. We evaluate IGE on a range of language-based tasks that require search and exploration. In Game of 24, a multistep mathematical reasoning problem, IGE reaches 100% success rate 70.8% faster than the best classic graph search baseline. Next, in BabyAI-Text, a challenging partially observable gridworld, IGE exceeds the previous SOTA with orders of magnitude fewer online samples. Finally, in TextWorld, we show the unique ability of IGE to succeed in settings requiring long-horizon exploration where prior SOTA FM agents like Reflexion completely fail. Overall, IGE combines the tremendous strengths of FMs and the powerful Go-Explore algorithm, opening up a new frontier of research into creating more generally capable agents with impressive exploration capabilities.

Active learning (AL) algorithms may achieve better performance with fewer data because the model guides the data selection process. While many algorithms have been proposed, there is little study on what the optimal AL algorithm looks like, which would help researchers understand where their models fall short and iterate on the design. In this paper, we present a simulated annealing algorithm to search for this optimal oracle and analyze it for several tasks. We present qualitative and quantitative insights into the behaviors of this oracle, comparing and contrasting them with those of various heuristics. Moreover, we are able to consistently improve the heuristics using one particular insight. We hope that our findings can better inform future active learning research. The code is available at https://github.com/YilunZhou/optimal-active-learning.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.

There is a strong link between the general concept of intelligence and the ability to collect and use information. The theory of Bayes-adaptive exploration offers an attractive optimality framework for training machines to perform complex information gathering tasks. However, the computational complexity of the resulting optimal control problem has limited the diffusion of the theory to mainstream deep AI research. In this paper we exploit the inherent mathematical structure of Bayes-adaptive problems in order to dramatically simplify the problem by making the reward structure denser while simultaneously decoupling the learning of exploitation and exploration policies. The key to this simplification comes from the novel concept of cross-value (i.e. the value of being in an environment while acting optimally according to another), which we use to quantify the value of currently available information. This results in a new denser reward structure that "cashes in" all future rewards that can be predicted from the current information state. In a set of experiments we show that the approach makes it possible to learn challenging information gathering tasks without the use of shaping and heuristic bonuses in situations where the standard RL algorithms fail.

Recent advances in large reasoning language models (LRLMs) rely on test-time scaling, which extends long chain-of-thought (CoT) generation to solve complex tasks. However, overthinking in long CoT not only slows down the efficiency of problem solving, but also risks accuracy loss due to the extremely detailed or redundant reasoning steps. We propose a simple yet effective method that allows LLMs to self-truncate CoT sequences by early exit during generation. Instead of relying on fixed heuristics, the proposed method monitors model behavior at potential reasoning transition points (e.g.,"Wait" tokens) and dynamically terminates the next reasoning chain's generation when the model exhibits high confidence in a trial answer. Our method requires no additional training and can be seamlessly integrated into existing o1-like reasoning LLMs. Experiments on 10 reasoning benchmarks (e.g., GSM8K, MATH-500, AMC, GPQA, AIME and LiveCodeBench) show that the proposed method is consistently effective on 11 cutting-edge reasoning LLMs of varying series and sizes, reducing the length of CoT sequences by an average of 19.1% to 80.1% while improving accuracy by 0.3% to 5.0%.

We present a Spades bidding algorithm that is superior to recreational human players and to publicly available bots. Like in Bridge, the game of Spades is composed of two independent phases, bidding and playing. This paper focuses on the bidding algorithm, since this phase holds a precise challenge: based on the input, choose the bid that maximizes the agent's winning probability. Our Bidding-in-Spades (BIS) algorithm heuristically determines the bidding strategy by comparing the expected utility of each possible bid. A major challenge is how to estimate these expected utilities. To this end, we propose a set of domain-specific heuristics, and then correct them via machine learning using data from real-world players. The \BIS algorithm we present can be attached to any playing algorithm. It beats rule-based bidding bots when all use the same playing component. When combined with a rule-based playing algorithm, it is superior to the average recreational human.

Conformant planning is the problem of finding a sequence of actions for achieving a goal in the presence of uncertainty in the initial state or action effects. The problem has been approached as a path-finding problem in belief space where good belief representations and heuristics are critical for scaling up. In this work, a different formulation is introduced for conformant problems with deterministic actions where they are automatically converted into classical ones and solved by an off-the-shelf classical planner. The translation maps literals L and sets of assumptions t about the initial situation, into new literals KL/t that represent that L must be true if t is initially true. We lay out a general translation scheme that is sound and establish the conditions under which the translation is also complete. We show that the complexity of the complete translation is exponential in a parameter of the problem called the conformant width, which for most benchmarks is bounded. The planner based on this translation exhibits good performance in comparison with existing planners, and is the basis for T0, the best performing planner in the Conformant Track of the 2006 International Planning Competition.

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design skills. In this paper, we propose a novel approach called Algorithm Evolution using Large Language Model (AEL). It utilizes a large language model (LLM) to automatically generate optimization algorithms via an evolutionary framework. AEL does algorithm-level evolution without model training. Human effort and requirements for domain knowledge can be significantly reduced. We take constructive methods for the salesman traveling problem as a test example, we show that the constructive algorithm obtained by AEL outperforms simple hand-crafted and LLM-generated heuristics. Compared with other domain deep learning model-based algorithms, these methods exhibit excellent scalability across different problem sizes. AEL is also very different from previous attempts that utilize LLMs as search operators in algorithms.

Large Language Models (LLMs) are increasingly utilized in autonomous decision-making, where they sample options from vast action spaces. However, the heuristics that guide this sampling process remain under-explored. We study this sampling behavior and show that this underlying heuristics resembles that of human decision-making: comprising a descriptive component (reflecting statistical norm) and a prescriptive component (implicit ideal encoded in the LLM) of a concept. We show that this deviation of a sample from the statistical norm towards a prescriptive component consistently appears in concepts across diverse real-world domains like public health, and economic trends. To further illustrate the theory, we demonstrate that concept prototypes in LLMs are affected by prescriptive norms, similar to the concept of normality in humans. Through case studies and comparison with human studies, we illustrate that in real-world applications, the shift of samples toward an ideal value in LLMs' outputs can result in significantly biased decision-making, raising ethical concerns.

Text-rich Graph Knowledge Bases (TG-KBs) have become increasingly crucial for answering queries by providing textual and structural knowledge. However, current retrieval methods often retrieve these two types of knowledge in isolation without considering their mutual reinforcement and some hybrid methods even bypass structural retrieval entirely after neighboring aggregation. To fill in this gap, we propose a Mixture of Structural-and-Textual Retrieval (MoR) to retrieve these two types of knowledge via a Planning-Reasoning-Organizing framework. In the Planning stage, MoR generates textual planning graphs delineating the logic for answering queries. Following planning graphs, in the Reasoning stage, MoR interweaves structural traversal and textual matching to obtain candidates from TG-KBs. In the Organizing stage, MoR further reranks fetched candidates based on their structural trajectory. Extensive experiments demonstrate the superiority of MoR in harmonizing structural and textual retrieval with insights, including uneven retrieving performance across different query logics and the benefits of integrating structural trajectories for candidate reranking. Our code is available at https://github.com/Yoega/MoR.

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

Recent advancements have significantly enhanced the performance of large language models (LLMs) in tackling complex reasoning tasks, achieving notable success in domains like mathematical and logical reasoning. However, these methods encounter challenges with complex planning tasks, primarily due to extended reasoning steps, diverse constraints, and the challenge of handling multiple distinct sub-tasks. To address these challenges, we propose HyperTree Planning (HTP), a novel reasoning paradigm that constructs hypertree-structured planning outlines for effective planning. The hypertree structure enables LLMs to engage in hierarchical thinking by flexibly employing the divide-and-conquer strategy, effectively breaking down intricate reasoning steps, accommodating diverse constraints, and managing multiple distinct sub-tasks in a well-organized manner. We further introduce an autonomous planning framework that completes the planning process by iteratively refining and expanding the hypertree-structured planning outlines. Experiments demonstrate the effectiveness of HTP, achieving state-of-the-art accuracy on the TravelPlanner benchmark with Gemini-1.5-Pro, resulting in a 3.6 times performance improvement over o1-preview.

Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100\% accuracy with only a few calls to the LLM. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.

Discovering efficient algorithms for solving complex problems has been an outstanding challenge in mathematics and computer science, requiring substantial human expertise over the years. Recent advancements in evolutionary search with large language models (LLMs) have shown promise in accelerating the discovery of algorithms across various domains, particularly in mathematics and optimization. However, existing approaches treat the LLM as a static generator, missing the opportunity to update the model with the signal obtained from evolutionary exploration. In this work, we propose to augment LLM-based evolutionary search by continuously refining the search operator - the LLM - through reinforcement learning (RL) fine-tuning. Our method leverages evolutionary search as an exploration strategy to discover improved algorithms, while RL optimizes the LLM policy based on these discoveries. Our experiments on three combinatorial optimization tasks - bin packing, traveling salesman, and the flatpack problem - show that combining RL and evolutionary search improves discovery efficiency of improved algorithms, showcasing the potential of RL-enhanced evolutionary strategies to assist computer scientists and mathematicians for more efficient algorithm design.

We propose Heuristic Blending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

We formalize constraint-based structure learning of the "true" causal graph from observed data when unobserved variables are also existent. We provide conditions for a "natural" family of constraint-based structure-learning algorithms that output graphs that are Markov equivalent to the causal graph. Under the faithfulness assumption, this natural family contains all exact structure-learning algorithms. We also provide a set of assumptions, under which any natural structure-learning algorithm outputs Markov equivalent graphs to the causal graph. These assumptions can be thought of as a relaxation of faithfulness, and most of them can be directly tested from (the underlying distribution) of the data, particularly when one focuses on structural causal models. We specialize the definitions and results for structural causal models.

We endow Large Language Models (LLMs) with fine-grained self-evaluation to refine multi-step reasoning inference. We propose an effective prompting approach that integrates self-evaluation guidance through stochastic beam search. Our approach explores the reasoning search space using a well-calibrated automatic criterion. This enables an efficient search to produce higher-quality final predictions. With the self-evaluation guided stochastic beam search, we also balance the quality-diversity trade-off in the generation of reasoning chains. This allows our approach to adapt well with majority voting and surpass the corresponding Codex-backboned baselines by 6.34%, 9.56%, and 5.46% on the GSM8K, AQuA, and StrategyQA benchmarks, respectively, in few-shot accuracy. Analysis of our decompositional reasoning finds it pinpoints logic failures and leads to higher consistency and robustness. Our code is publicly available at https://github.com/YuxiXie/SelfEval-Guided-Decoding.

Remarkable progress has been made on automated reasoning with natural text, by using Language Models (LMs) and methods such as Chain-of-Thought and Selection-Inference. These techniques search for proofs in the forward direction from axioms to the conclusion, which suffers from a combinatorial explosion of the search space, and thus high failure rates for problems requiring longer chains of reasoning. The classical automated reasoning literature has shown that reasoning in the backward direction (i.e. from the intended conclusion to supporting axioms) is significantly more efficient at proof-finding. Importing this intuition into the LM setting, we develop a Backward Chaining algorithm, called LAMBADA, that decomposes reasoning into four sub-modules. These sub-modules are simply implemented by few-shot prompted LM inference. We show that LAMBADA achieves sizable accuracy boosts over state-of-the-art forward reasoning methods on challenging logical reasoning datasets, particularly when deep and accurate proof chains are required.

Efficiently tackling combinatorial reasoning problems, particularly the notorious NP-hard tasks, remains a significant challenge for AI research. Recent efforts have sought to enhance planning by incorporating hierarchical high-level search strategies, known as subgoal methods. While promising, their performance against traditional low-level planners is inconsistent, raising questions about their application contexts. In this study, we conduct an in-depth exploration of subgoal-planning methods for combinatorial reasoning. We identify the attributes pivotal for leveraging the advantages of high-level search: hard-to-learn value functions, complex action spaces, presence of dead ends in the environment, or using data collected from diverse experts. We propose a consistent evaluation methodology to achieve meaningful comparisons between methods and reevaluate the state-of-the-art algorithms.

While recent success of large reasoning models (LRMs) significantly advanced LLMs' reasoning capability by optimizing the final answer accuracy using reinforcement learning, they may also drastically increase the output length due to overthinking, characterized by unnecessarily complex reasoning paths that waste computation and potentially degrade the performance. We hypothesize that such inefficiencies stem from LRMs' limited capability to dynamically select the proper modular reasoning strategies, termed thinking patterns at the right position. To investigate this hypothesis, we propose a dynamic optimization framework that segments model-generated reasoning paths into distinct thinking patterns, systematically identifying and promoting beneficial patterns that improve the answer while removing detrimental ones. Empirical analysis confirms that our optimized thinking paths yield more concise yet sufficiently informative trajectories, enhancing reasoning efficiency by reducing attention FLOPs by up to 47% while maintaining accuracy for originally correct responses. Moreover, a non-trivial portion of originally incorrect responses are transformed into correct ones, achieving a 15.6% accuracy improvement with reduced length. Motivated by the improvement brought by the optimized thinking paths, we apply a preference optimization technique supported by a pairwise dataset contrasting suboptimal and optimal reasoning paths. Experimental evaluations across multiple mathematical reasoning benchmarks reveal that our method notably reduces computational overhead while simultaneously improving reasoning accuracy, achieving up to a 12% accuracy improvement and reducing token usage from approximately 5,000 to 3,000 tokens.

This is the first work to look at the application of large language models (LLMs) for the purpose of model space edits in automated planning tasks. To set the stage for this union, we explore two different flavors of model space problems that have been studied in the AI planning literature and explore the effect of an LLM on those tasks. We empirically demonstrate how the performance of an LLM contrasts with combinatorial search (CS) -- an approach that has been traditionally used to solve model space tasks in planning, both with the LLM in the role of a standalone model space reasoner as well as in the role of a statistical signal in concert with the CS approach as part of a two-stage process. Our experiments show promising results suggesting further forays of LLMs into the exciting world of model space reasoning for planning tasks in the future.

Efficiently solving problems with large action spaces using A* search has been of importance to the artificial intelligence community for decades. This is because the computation and memory requirements of A* search grow linearly with the size of the action space. This burden becomes even more apparent when A* search uses a heuristic function learned by computationally expensive function approximators, such as deep neural networks. To address this problem, we introduce Q* search, a search algorithm that uses deep Q-networks to guide search in order to take advantage of the fact that the sum of the transition costs and heuristic values of the children of a node can be computed with a single forward pass through a deep Q-network without explicitly generating those children. This significantly reduces computation time and requires only one node to be generated per iteration. We use Q* search to solve the Rubik's cube when formulated with a large action space that includes 1872 meta-actions and find that this 157-fold increase in the size of the action space incurs less than a 4-fold increase in computation time and less than a 3-fold increase in number of nodes generated when performing Q* search. Furthermore, Q* search is up to 129 times faster and generates up to 1288 times fewer nodes than A* search. Finally, although obtaining admissible heuristic functions from deep neural networks is an ongoing area of research, we prove that Q* search is guaranteed to find a shortest path given a heuristic function that neither overestimates the cost of a shortest path nor underestimates the transition cost.

Solving NP-hard problems traditionally relies on heuristics, yet manually designing effective heuristics for complex problems remains a significant challenge. While recent advancements like FunSearch have shown that large language models (LLMs) can be integrated into evolutionary algorithms (EAs) for heuristic design, their potential is hindered by limitations in balancing exploitation and exploration. We introduce Quality-Uncertainty Balanced Evolution (QUBE), a novel approach that enhances LLM+EA methods by redefining the priority criterion within the FunSearch framework. QUBE employs the Quality-Uncertainty Trade-off Criterion (QUTC), based on our proposed Uncertainty-Inclusive Quality metric, to evaluate and guide the evolutionary process. Through extensive experiments on challenging NP-complete problems, QUBE demonstrates significant performance improvements over FunSearch and baseline methods. Our code are available at https://github.com/zzjchen/QUBE\_code.

Large language models (LLMs) are powerful AI tools that can generate and comprehend natural language text and other complex information. However, the field lacks a mathematical framework to systematically describe, compare and improve LLMs. We propose Hex a framework that clarifies key terms and concepts in LLM research, such as hallucinations, alignment, self-verification and chain-of-thought reasoning. The Hex framework offers a precise and consistent way to characterize LLMs, identify their strengths and weaknesses, and integrate new findings. Using Hex, we differentiate chain-of-thought reasoning from chain-of-thought prompting and establish the conditions under which they are equivalent. This distinction clarifies the basic assumptions behind chain-of-thought prompting and its implications for methods that use it, such as self-verification and prompt programming. Our goal is to provide a formal framework for LLMs that can help both researchers and practitioners explore new possibilities for generative AI. We do not claim to have a definitive solution, but rather a tool for opening up new research avenues. We argue that our formal definitions and results are crucial for advancing the discussion on how to build generative AI systems that are safe, reliable, fair and robust, especially in domains like healthcare and software engineering.

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the novel task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent chemistry literature show that our method consistently outperforms strong baselines.

Reasoning language models (RLMs), also known as Large Reasoning Models (LRMs), such as OpenAI's o1 and o3, DeepSeek-V3, and Alibaba's QwQ, have redefined AI's problem-solving capabilities by extending large language models (LLMs) with advanced reasoning mechanisms. Yet, their high costs, proprietary nature, and complex architectures - uniquely combining Reinforcement Learning (RL), search heuristics, and LLMs - present accessibility and scalability challenges. To address these, we propose a comprehensive blueprint that organizes RLM components into a modular framework, based on a survey and analysis of all RLM works. This blueprint incorporates diverse reasoning structures (chains, trees, graphs, and nested forms), reasoning strategies (e.g., Monte Carlo Tree Search, Beam Search), RL concepts (policy, value models and others), and supervision schemes (Output-Based and Process-Based Supervision). We also provide detailed mathematical formulations and algorithmic specifications to simplify RLM implementation. By showing how schemes like LLaMA-Berry, QwQ, Journey Learning, and Graph of Thoughts fit as special cases, we demonstrate the blueprint's versatility and unifying potential. To illustrate its utility, we introduce x1, a modular implementation for rapid RLM prototyping and experimentation. Using x1 and a literature review, we provide key insights, such as multi-phase training for policy and value models, and the importance of familiar training distributions. Finally, we outline how RLMs can integrate with a broader LLM ecosystem, including tools and databases. Our work demystifies RLM construction, democratizes advanced reasoning capabilities, and fosters innovation, aiming to mitigate the gap between "rich AI" and "poor AI" by lowering barriers to RLM development and experimentation.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

Large Language Models (LLMs) have demonstrated impressive reasoning abilities through test-time computation (TTC) techniques such as chain-of-thought prompting and tree-based reasoning. However, we argue that current reasoning LLMs (RLLMs) lack the ability to systematically explore the solution space. This paper formalizes what constitutes systematic problem solving and identifies common failure modes that reveal reasoning LLMs to be wanderers rather than systematic explorers. Through qualitative and quantitative analysis across multiple state-of-the-art LLMs, we uncover persistent issues: invalid reasoning steps, redundant explorations, hallucinated or unfaithful conclusions, and so on. Our findings suggest that current models' performance can appear to be competent on simple tasks yet degrade sharply as complexity increases. Based on the findings, we advocate for new metrics and tools that evaluate not just final outputs but the structure of the reasoning process itself.

Automated Theorem Proving (ATP) in formal languages remains a formidable challenge in AI, demanding rigorous logical deduction and navigating vast search spaces. While large language models (LLMs) have shown promising performance, existing stepwise provers often suffer from biased search guidance, leading to inefficiencies and suboptimal proof strategies. This paper introduces the Multi-Perspective Search Prover (MPS-Prover), a novel stepwise ATP system designed to overcome these limitations. MPS-Prover incorporates two key innovations: a highly effective post-training data curation strategy that prunes approximately 40% of redundant training data without sacrificing performance, and a multi-perspective tree search mechanism. This search integrates a learned critic model with strategically designed heuristic rules to diversify tactic selection, prevent getting trapped in unproductive states, and enhance search robustness. Extensive evaluations demonstrate that MPS-Prover achieves state-of-the-art performance on multiple challenging benchmarks, including miniF2F and ProofNet, outperforming prior 7B parameter models. Furthermore, our analyses reveal that MPS-Prover generates significantly shorter and more diverse proofs compared to existing stepwise and whole-proof methods, highlighting its efficiency and efficacy. Our work advances the capabilities of LLM-based formal reasoning and offers a robust framework and a comprehensive analysis for developing more powerful theorem provers.

In precision-oriented tasks like answer ranking, it is more important to rank many relevant answers highly than to retrieve all relevant answers. It follows that a good ranking strategy would be to learn how to identify the easiest correct answers first (i.e., assign a high ranking score to answers that have characteristics that usually indicate relevance, and a low ranking score to those with characteristics that do not), before incorporating more complex logic to handle difficult cases (e.g., semantic matching or reasoning). In this work, we apply this idea to the training of neural answer rankers using curriculum learning. We propose several heuristics to estimate the difficulty of a given training sample. We show that the proposed heuristics can be used to build a training curriculum that down-weights difficult samples early in the training process. As the training process progresses, our approach gradually shifts to weighting all samples equally, regardless of difficulty. We present a comprehensive evaluation of our proposed idea on three answer ranking datasets. Results show that our approach leads to superior performance of two leading neural ranking architectures, namely BERT and ConvKNRM, using both pointwise and pairwise losses. When applied to a BERT-based ranker, our method yields up to a 4% improvement in MRR and a 9% improvement in P@1 (compared to the model trained without a curriculum). This results in models that can achieve comparable performance to more expensive state-of-the-art techniques.

Chain-of-thought reasoning, a cognitive process fundamental to human intelligence, has garnered significant attention in the realm of artificial intelligence and natural language processing. However, there still remains a lack of a comprehensive survey for this arena. To this end, we take the first step and present a thorough survey of this research field carefully and widely. We use X-of-Thought to refer to Chain-of-Thought in a broad sense. In detail, we systematically organize the current research according to the taxonomies of methods, including XoT construction, XoT structure variants, and enhanced XoT. Additionally, we describe XoT with frontier applications, covering planning, tool use, and distillation. Furthermore, we address challenges and discuss some future directions, including faithfulness, multi-modal, and theory. We hope this survey serves as a valuable resource for researchers seeking to innovate within the domain of chain-of-thought reasoning.

Integer Linear Programs (ILPs) are powerful tools for modeling and solving a large number of combinatorial optimization problems. Recently, it has been shown that Large Neighborhood Search (LNS), as a heuristic algorithm, can find high quality solutions to ILPs faster than Branch and Bound. However, how to find the right heuristics to maximize the performance of LNS remains an open problem. In this paper, we propose a novel approach, CL-LNS, that delivers state-of-the-art anytime performance on several ILP benchmarks measured by metrics including the primal gap, the primal integral, survival rates and the best performing rate. Specifically, CL-LNS collects positive and negative solution samples from an expert heuristic that is slow to compute and learns a new one with a contrastive loss. We use graph attention networks and a richer set of features to further improve its performance.

The deployment of pre-trained perception models in novel environments often leads to performance degradation due to distributional shifts. Although recent artificial intelligence approaches for metacognition use logical rules to characterize and filter model errors, improving precision often comes at the cost of reduced recall. This paper addresses the hypothesis that leveraging multiple pre-trained models can mitigate this recall reduction. We formulate the challenge of identifying and managing conflicting predictions from various models as a consistency-based abduction problem. The input predictions and the learned error detection rules derived from each model are encoded in a logic program. We then seek an abductive explanation--a subset of model predictions--that maximizes prediction coverage while ensuring the rate of logical inconsistencies (derived from domain constraints) remains below a specified threshold. We propose two algorithms for this knowledge representation task: an exact method based on Integer Programming (IP) and an efficient Heuristic Search (HS). Through extensive experiments on a simulated aerial imagery dataset featuring controlled, complex distributional shifts, we demonstrate that our abduction-based framework outperforms individual models and standard ensemble baselines, achieving, for instance, average relative improvements of approximately 13.6% in F1-score and 16.6% in accuracy across 15 diverse test datasets when compared to the best individual model. Our results validate the use of consistency-based abduction as an effective mechanism to robustly integrate knowledge from multiple imperfect reasoners in challenging, novel scenarios.

The chain-of-though (CoT) prompting methods were successful in various natural language processing (NLP) tasks thanks to their ability to unveil the underlying complex reasoning processes. Such reasoning processes typically exhibit implicitly structured steps. Recent efforts also started investigating methods to encourage more explicitly structured reasoning procedures to be captured. In this work, we propose Tab-CoT, a novel tabular-format CoT prompting method, which allows the complex reasoning process to be explicitly modelled in a highly structured manner. Despite its simplicity, we show that our approach is capable of performing reasoning across multiple dimensions (i.e., both rows and columns). We demonstrate our approach's strong zero-shot and few-shot capabilities through extensive experiments on a range of reasoning tasks.

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.

Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant progress has been made recently in offline model-based reinforcement learning, approaches which leverage a learned dynamics model. This typically involves constructing a probabilistic model, and using the model uncertainty to penalize rewards where there is insufficient data, solving for a pessimistic MDP that lower bounds the true MDP. Existing methods, however, exhibit a breakdown between theory and practice, whereby pessimistic return ought to be bounded by the total variation distance of the model from the true dynamics, but is instead implemented through a penalty based on estimated model uncertainty. This has spawned a variety of uncertainty heuristics, with little to no comparison between differing approaches. In this paper, we compare these heuristics, and design novel protocols to investigate their interaction with other hyperparameters, such as the number of models, or imaginary rollout horizon. Using these insights, we show that selecting these key hyperparameters using Bayesian Optimization produces superior configurations that are vastly different to those currently used in existing hand-tuned state-of-the-art methods, and result in drastically stronger performance.

Many resource management problems require sequential decision-making under uncertainty, where the only uncertainty affecting the decision outcomes are exogenous variables outside the control of the decision-maker. We model these problems as Exo-MDPs (Markov Decision Processes with Exogenous Inputs) and design a class of data-efficient algorithms for them termed Hindsight Learning (HL). Our HL algorithms achieve data efficiency by leveraging a key insight: having samples of the exogenous variables, past decisions can be revisited in hindsight to infer counterfactual consequences that can accelerate policy improvements. We compare HL against classic baselines in the multi-secretary and airline revenue management problems. We also scale our algorithms to a business-critical cloud resource management problem -- allocating Virtual Machines (VMs) to physical machines, and simulate their performance with real datasets from a large public cloud provider. We find that HL algorithms outperform domain-specific heuristics, as well as state-of-the-art reinforcement learning methods.

Do large language models (LLMs) solve reasoning tasks by learning robust generalizable algorithms, or do they memorize training data? To investigate this question, we use arithmetic reasoning as a representative task. Using causal analysis, we identify a subset of the model (a circuit) that explains most of the model's behavior for basic arithmetic logic and examine its functionality. By zooming in on the level of individual circuit neurons, we discover a sparse set of important neurons that implement simple heuristics. Each heuristic identifies a numerical input pattern and outputs corresponding answers. We hypothesize that the combination of these heuristic neurons is the mechanism used to produce correct arithmetic answers. To test this, we categorize each neuron into several heuristic types-such as neurons that activate when an operand falls within a certain range-and find that the unordered combination of these heuristic types is the mechanism that explains most of the model's accuracy on arithmetic prompts. Finally, we demonstrate that this mechanism appears as the main source of arithmetic accuracy early in training. Overall, our experimental results across several LLMs show that LLMs perform arithmetic using neither robust algorithms nor memorization; rather, they rely on a "bag of heuristics".

Complex visual reasoning remains a key challenge today. Typically, the challenge is tackled using methodologies such as Chain of Thought (COT) and visual instruction tuning. However, how to organically combine these two methodologies for greater success remains unexplored. Also, issues like hallucinations and high training cost still need to be addressed. In this work, we devise an innovative multi-round training and reasoning framework suitable for lightweight Multimodal Large Language Models (MLLMs). Our self-questioning approach heuristically guides MLLMs to focus on visual clues relevant to the target problem, reducing hallucinations and enhancing the model's ability to describe fine-grained image details. This ultimately enables the model to perform well in complex visual reasoning and question-answering tasks. We have named this framework Socratic Questioning(SQ). To facilitate future research, we create a multimodal mini-dataset named CapQA, which includes 1k images of fine-grained activities, for visual instruction tuning and evaluation, our proposed SQ method leads to a 31.2% improvement in the hallucination score. Our extensive experiments on various benchmarks demonstrate SQ's remarkable capabilities in heuristic self-questioning, zero-shot visual reasoning and hallucination mitigation. Our model and code will be publicly available.

We consider non-clairvoyant scheduling with online precedence constraints, where an algorithm is oblivious to any job dependencies and learns about a job only if all of its predecessors have been completed. Given strong impossibility results in classical competitive analysis, we investigate the problem in a learning-augmented setting, where an algorithm has access to predictions without any quality guarantee. We discuss different prediction models: novel problem-specific models as well as general ones, which have been proposed in previous works. We present lower bounds and algorithmic upper bounds for different precedence topologies, and thereby give a structured overview on which and how additional (possibly erroneous) information helps for designing better algorithms. Along the way, we also improve bounds on traditional competitive ratios for existing algorithms.

Mining cohesive subgraphs in attributed graphs is an essential problem in the domain of graph data analysis. The integration of fairness considerations significantly fuels interest in models and algorithms for mining fairness-aware cohesive subgraphs. Notably, the relative fair clique emerges as a robust model, ensuring not only comprehensive attribute coverage but also greater flexibility in distributing attribute vertices. Motivated by the strength of this model, we for the first time pioneer an investigation into the identification of the maximum relative fair clique in large-scale graphs. We introduce a novel concept of colorful support, which serves as the foundation for two innovative graph reduction techniques. These techniques effectively narrow the graph's size by iteratively removing edges that do not belong to relative fair cliques. Furthermore, a series of upper bounds of the maximum relative fair clique size is proposed by incorporating consideration of vertex attributes and colors. The pruning techniques derived from these upper bounds can significantly trim unnecessary search space during the branch-and-bound procedure. Adding to this, we present a heuristic algorithm with a linear time complexity, employing both a degree-based greedy strategy and a colored degree-based greedy strategy to identify a larger relative fair clique. This heuristic algorithm can serve a dual purpose by aiding in branch pruning, thereby enhancing overall search efficiency. Extensive experiments conducted on six real-life datasets demonstrate the efficiency, scalability, and effectiveness of our algorithms.

Automated Planning and Scheduling is among the growing areas in Artificial Intelligence (AI) where mention of LLMs has gained popularity. Based on a comprehensive review of 126 papers, this paper investigates eight categories based on the unique applications of LLMs in addressing various aspects of planning problems: language translation, plan generation, model construction, multi-agent planning, interactive planning, heuristics optimization, tool integration, and brain-inspired planning. For each category, we articulate the issues considered and existing gaps. A critical insight resulting from our review is that the true potential of LLMs unfolds when they are integrated with traditional symbolic planners, pointing towards a promising neuro-symbolic approach. This approach effectively combines the generative aspects of LLMs with the precision of classical planning methods. By synthesizing insights from existing literature, we underline the potential of this integration to address complex planning challenges. Our goal is to encourage the ICAPS community to recognize the complementary strengths of LLMs and symbolic planners, advocating for a direction in automated planning that leverages these synergistic capabilities to develop more advanced and intelligent planning systems.

Puzzlehunts are a genre of complex, multi-step puzzles lacking well-defined problem definitions. In contrast to conventional reasoning benchmarks consisting of tasks with clear instructions, puzzlehunts require models to discover the underlying problem structure from multimodal evidence and iterative reasoning, mirroring real-world domains such as scientific discovery, exploratory data analysis, or investigative problem-solving. Despite recent progress in foundation models, their performance on such open-ended settings remains largely untested. In this paper, we introduce PuzzleWorld, a large-scale benchmark of 667 puzzlehunt-style problems designed to assess step-by-step, open-ended, and creative multimodal reasoning. Each puzzle is annotated with the final solution, detailed reasoning traces, and cognitive skill labels, enabling holistic benchmarking and fine-grained diagnostic analysis. Most state-of-the-art models achieve only 1-2% final answer accuracy, with the best model solving only 14% of puzzles and reaching 40% stepwise accuracy. To demonstrate the value of our reasoning annotations, we show that fine-tuning a small model on reasoning traces improves stepwise reasoning from 4% to 11%, while training on final answers alone degrades performance to near zero. Our error analysis reveals that current models exhibit myopic reasoning, are bottlenecked by the limitations of language-based inference, and lack sketching capabilities crucial for visual and spatial reasoning. We release PuzzleWorld at https://github.com/MIT-MI/PuzzleWorld to support future work on building more general, open-ended, and creative reasoning systems.

We present that hierarchical LLM reasoning via scaling thought templates can effectively optimize the reasoning search space and outperform the mathematical reasoning capabilities of powerful LLMs like OpenAI o1-preview and DeepSeek V3. We train our ReasonFlux-32B model with only 8 GPUs and introduces three innovations: (i) a structured and generic thought template library, containing around 500 high-level thought templates capable of generalizing to similar or relevant reasoning problems; (ii) performing hierarchical reinforcement learning on a sequence of thought templates instead of long CoTs, optimizing a base LLM to plan out an optimal template trajectory for gradually handling complex problems; (iii) a brand new inference scaling system that enables hierarchical LLM reasoning by adaptively scaling thought templates at inference time. With a template trajectory containing sequential thought templates, our ReasonFlux-32B significantly advances math reasoning capabilities to state-of-the-art levels. Notably, on the MATH benchmark, it achieves an accuracy of 91.2% and surpasses o1-preview by 6.7%. On the USA Math Olympiad (AIME) benchmark, ReasonFlux-32B solves an average of 56.7% of problems, surpassing o1-preview and DeepSeek-V3 by 27% and 45%, respectively. Code: https://github.com/Gen-Verse/ReasonFlux

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

As Large Language Models become more ubiquitous across domains, it becomes important to examine their inherent limitations critically. This work argues that hallucinations in language models are not just occasional errors but an inevitable feature of these systems. We demonstrate that hallucinations stem from the fundamental mathematical and logical structure of LLMs. It is, therefore, impossible to eliminate them through architectural improvements, dataset enhancements, or fact-checking mechanisms. Our analysis draws on computational theory and Godel's First Incompleteness Theorem, which references the undecidability of problems like the Halting, Emptiness, and Acceptance Problems. We demonstrate that every stage of the LLM process-from training data compilation to fact retrieval, intent classification, and text generation-will have a non-zero probability of producing hallucinations. This work introduces the concept of Structural Hallucination as an intrinsic nature of these systems. By establishing the mathematical certainty of hallucinations, we challenge the prevailing notion that they can be fully mitigated.

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

Large language models (LLMs) have attracted considerable attention in various fields for their cost-effective solutions to diverse challenges, especially with advancements in instruction tuning and quantization. E-commerce, with its complex tasks and extensive product-user interactions, presents a promising application area for LLMs. However, the domain-specific concepts and knowledge inherent in e-commerce pose significant challenges for adapting general LLMs. To address this issue, we developed EC-Guide https://github.com/fzp0424/EC-Guide-KDDUP-2024, a comprehensive e-commerce guide for instruction tuning and quantization of LLMs. We also heuristically integrated Chain-of-Thought (CoT) during inference to enhance arithmetic performance. Our approach achieved the 2nd place in Track 2 and 5th place in Track 5 at the Amazon KDD Cup'24 https://www.aicrowd.com/challenges/amazon-kdd-cup-2024-multi-task-online-shopping-challenge-for-llms. Additionally, our solution is model-agnostic, enabling effective scalability across larger systems.

Simulated annealing (SA) is a stochastic global optimisation technique applicable to a wide range of discrete and continuous variable problems. Despite its simplicity, the development of an effective SA optimiser for a given problem hinges on a handful of carefully handpicked components; namely, neighbour proposal distribution and temperature annealing schedule. In this work, we view SA from a reinforcement learning perspective and frame the proposal distribution as a policy, which can be optimised for higher solution quality given a fixed computational budget. We demonstrate that this Neural SA with such a learnt proposal distribution, parametrised by small equivariant neural networks, outperforms SA baselines on a number of problems: Rosenbrock's function, the Knapsack problem, the Bin Packing problem, and the Travelling Salesperson problem. We also show that Neural SA scales well to large problems - generalising to significantly larger problems than the ones seen during training - while achieving comparable performance to popular off-the-shelf solvers and other machine learning methods in terms of solution quality and wall-clock time.

An obstacle to artificial general intelligence is set by continual learning of multiple tasks of different nature. Recently, various heuristic tricks, both from machine learning and from neuroscience angles, were proposed, but they lack a unified theory ground. Here, we focus on continual learning in single-layered and multi-layered neural networks of binary weights. A variational Bayesian learning setting is thus proposed, where the neural networks are trained in a field-space, rather than gradient-ill-defined discrete-weight space, and furthermore, weight uncertainty is naturally incorporated, and modulates synaptic resources among tasks. From a physics perspective, we translate the variational continual learning into Franz-Parisi thermodynamic potential framework, where previous task knowledge acts as a prior and a reference as well. We thus interpret the continual learning of the binary perceptron in a teacher-student setting as a Franz-Parisi potential computation. The learning performance can then be analytically studied with mean-field order parameters, whose predictions coincide with numerical experiments using stochastic gradient descent methods. Based on the variational principle and Gaussian field approximation of internal preactivations in hidden layers, we also derive the learning algorithm considering weight uncertainty, which solves the continual learning with binary weights using multi-layered neural networks, and performs better than the currently available metaplasticity algorithm. Our proposed principled frameworks also connect to elastic weight consolidation, weight-uncertainty modulated learning, and neuroscience inspired metaplasticity, providing a theory-grounded method for the real-world multi-task learning with deep networks.

Sparse roadmaps are important to compactly represent state spaces, to determine problems to be infeasible and to terminate in finite time. However, sparse roadmaps do not scale well to high-dimensional planning problems. In prior work, we showed improved planning performance on high-dimensional planning problems by using multilevel abstractions to simplify state spaces. In this work, we generalize sparse roadmaps to multilevel abstractions by developing a novel algorithm, the sparse multilevel roadmap planner (SMLR). To this end, we represent multilevel abstractions using the language of fiber bundles, and generalize sparse roadmap planners by using the concept of restriction sampling with visibility regions. We argue SMLR to be probabilistically complete and asymptotically near-optimal by inheritance from sparse roadmap planners. In evaluations, we outperform sparse roadmap planners on challenging planning problems, in particular problems which are high-dimensional, contain narrow passages or are infeasible. We thereby demonstrate sparse multilevel roadmaps as an efficient tool for feasible and infeasible high-dimensional planning problems.

With recent advancements in large language models, methods like chain-of-thought prompting to elicit reasoning chains have been shown to improve results on reasoning tasks. However, tasks that require multiple steps of reasoning still pose significant challenges to state-of-the-art models. Drawing inspiration from the beam search algorithm, we propose PathFinder, a tree-search-based reasoning path generation approach. It enhances diverse branching and multi-hop reasoning through the integration of dynamic decoding, enabled by varying sampling methods and parameters. Using constrained reasoning, PathFinder integrates novel quality constraints, pruning, and exploration methods to enhance the efficiency and the quality of generation. Moreover, it includes scoring and ranking features to improve candidate selection. Our approach outperforms competitive baselines on three complex arithmetic and commonsense reasoning tasks by 6% on average. Our model generalizes well to longer, unseen reasoning chains, reflecting similar complexities to beam search with large branching factors.

Graphs can be used to represent and reason about systems and a variety of metrics have been devised to quantify their global characteristics. However, little is currently known about how to construct a graph or improve an existing one given a target objective. In this work, we formulate the construction of a graph as a decision-making process in which a central agent creates topologies by trial and error and receives rewards proportional to the value of the target objective. By means of this conceptual framework, we propose an algorithm based on reinforcement learning and graph neural networks to learn graph construction and improvement strategies. Our core case study focuses on robustness to failures and attacks, a property relevant for the infrastructure and communication networks that power modern society. Experiments on synthetic and real-world graphs show that this approach can outperform existing methods while being cheaper to evaluate. It also allows generalization to out-of-sample graphs, as well as to larger out-of-distribution graphs in some cases. The approach is applicable to the optimization of other global structural properties of graphs.

Large language models (LLMs) have been routinely used to solve various tasks using step-by-step reasoning. However, the structure of intermediate reasoning steps, or thoughts, is rigid and unidirectional, such as chains, trees, or acyclic-directed graphs. Consequently, the resulting inflexible and forward-only reasoning may not address challenging tasks and fail when the LLM frequently gives false responses, i.e., ``hallucinations''. This paper proposes a new reasoning framework, called Thought Rollback (TR), allowing LLMs to adaptively build thought structure while maintaining effective reasoning toward problem-solving under ``hallucinations''. The core mechanism of TR is rolling back thoughts, which allows LLMs to perform error analysis on thoughts, and thus roll back to any previously mistaken thought for revision. Subsequently, by including such trial-and-error in the prompt to guide the LLM, each rollback leads to one more reliable reasoning path. Therefore, starting with a simple prompt without human annotations, LLM with TR adaptively and gradually explores thoughts for a correct solution. Comprehensive experiments on mathematical problems and multi-task reasoning demonstrate the state-of-the-art performance of TR in terms of problem-solving rate and interaction cost. For instance, the solving rate of GPT-4 with TR outperforms the current best by 9% on the MATH dataset.

Tensor network (TN) is a powerful framework in machine learning, but selecting a good TN model, known as TN structure search (TN-SS), is a challenging and computationally intensive task. The recent approach TNLS~li2022permutation showed promising results for this task, however, its computational efficiency is still unaffordable, requiring too many evaluations of the objective function. We propose TnALE, a new algorithm that updates each structure-related variable alternately by local enumeration, greatly reducing the number of evaluations compared to TNLS. We theoretically investigate the descent steps for TNLS and TnALE, proving that both algorithms can achieve linear convergence up to a constant if a sufficient reduction of the objective is reached in each neighborhood. We also compare the evaluation efficiency of TNLS and TnALE, revealing that Omega(2^N) evaluations are typically required in TNLS for reaching the objective reduction in the neighborhood, while ideally O(N^2R) evaluations are sufficient in TnALE, where N denotes the tensor order and R reflects the ``low-rankness'' of the neighborhood. Experimental results verify that TnALE can find practically good TN-ranks and permutations with vastly fewer evaluations than the state-of-the-art algorithms.

Recent research suggests that tree search algorithms (e.g. Monte Carlo Tree Search) can dramatically boost LLM performance on complex mathematical reasoning tasks. However, they often require more than 10 times the computational resources of greedy decoding due to wasteful search strategies, making them difficult to be deployed in practical applications. This study introduces a novel guided tree search algorithm with dynamic node selection and node-level exploration budget (maximum number of children) calculation to tackle this issue. By considering the search progress towards the final answer (history) and the guidance from a value network (future) trained without any step-wise annotations, our algorithm iteratively selects the most promising tree node before expanding it within the boundaries of the allocated computational budget. Experiments conducted on the GSM8K and TabMWP datasets demonstrate that our approach not only offers competitive performance but also enjoys significantly lower computational costs compared to baseline methods.

Prompted models have demonstrated impressive few-shot learning abilities. Repeated interactions at test-time with a single model, or the composition of multiple models together, further expands capabilities. These compositions are probabilistic models, and may be expressed in the language of graphical models with random variables whose values are complex data types such as strings. Cases with control flow and dynamic structure require techniques from probabilistic programming, which allow implementing disparate model structures and inference strategies in a unified language. We formalize several existing techniques from this perspective, including scratchpads / chain of thought, verifiers, STaR, selection-inference, and tool use. We refer to the resulting programs as language model cascades.

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

Despite their remarkable capabilities, large language models often struggle with tasks requiring complex reasoning and planning. While existing approaches like Chain-of-Thought prompting and tree search techniques show promise, they are limited by their reliance on predefined heuristics and computationally expensive exploration strategies. We propose Policy-Guided Tree Search (PGTS), a framework that combines reinforcement learning with structured tree exploration to efficiently navigate reasoning paths. Our key innovation is a learned policy that dynamically decides between expanding, branching, backtracking, or terminating exploration, eliminating the need for manual heuristics or exhaustive search. Experiments across mathematical reasoning, logical deduction, and planning benchmarks demonstrate that PGTS achieves superior reasoning performance while significantly reducing computational costs compared to existing methods. These results establish PGTS as a scalable and effective solution for tackling complex reasoning tasks with LLMs.

The concept of Artificial Intelligence has gained a lot of attention over the last decade. In particular, AI-based tools have been employed in several scenarios and are, by now, pervading our everyday life. Nonetheless, most of these systems lack many capabilities that we would naturally consider to be included in a notion of "intelligence". In this work, we present an architecture that, inspired by the cognitive theory known as Thinking Fast and Slow by D. Kahneman, is tasked with solving planning problems in different settings, specifically: classical and multi-agent epistemic. The system proposed is an instance of a more general AI paradigm, referred to as SOFAI (for Slow and Fast AI). SOFAI exploits multiple solving approaches, with different capabilities that characterize them as either fast or slow, and a metacognitive module to regulate them. This combination of components, which roughly reflects the human reasoning process according to D. Kahneman, allowed us to enhance the reasoning process that, in this case, is concerned with planning in two different settings. The behavior of this system is then compared to state-of-the-art solvers, showing that the newly introduced system presents better results in terms of generality, solving a wider set of problems with an acceptable trade-off between solving times and solution accuracy.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

An AI system can create and maintain knowledge only to the extent that it can verify that knowledge itself. Recent work on long Chain-of-Thought reasoning has demonstrated great potential of LLMs on solving competitive problems, but their verification ability remains to be weak and not sufficiently investigated. In this paper, we propose Heimdall, the long CoT verification LLM that can accurately judge the correctness of solutions. With pure reinforcement learning, we boost the verification accuracy from 62.5% to 94.5% on competitive math problems. By scaling with repeated sampling, the accuracy further increases to 97.5%. Through human evaluation, Heimdall demonstrates impressive generalization capabilities, successfully detecting most issues in challenging math proofs, the type of which is not included during training. Furthermore, we propose Pessimistic Verification to extend the functionality of Heimdall to scaling up the problem solving. It calls Heimdall to judge the solutions from a solver model and based on the pessimistic principle, selects the most likely correct solution with the least uncertainty. Taking DeepSeek-R1-Distill-Qwen-32B as the solver model, Pessimistic Verification improves the solution accuracy on AIME2025 from 54.2% to 70.0% with 16x compute budget and to 83.3% with more compute budget. With the stronger solver Gemini 2.5 Pro, the score reaches 93.0%. Finally, we prototype an automatic knowledge discovery system, a ternary system where one poses questions, another provides solutions, and the third verifies the solutions. Using the data synthesis work NuminaMath for the first two components, Heimdall effectively identifies problematic records within the dataset and reveals that nearly half of the data is flawed, which interestingly aligns with the recent ablation studies from NuminaMath.

We present THOUGHTSCULPT, a general reasoning and search method for tasks with outputs that can be decomposed into components. THOUGHTSCULPT explores a search tree of potential solutions using Monte Carlo Tree Search (MCTS), building solutions one action at a time and evaluating according to any domain-specific heuristic, which in practice is often simply an LLM evaluator. Critically, our action space includes revision actions: THOUGHTSCULPT may choose to revise part of its previous output rather than continuing to build the rest of its output. Empirically, THOUGHTSCULPT outperforms state-of-the-art reasoning methods across three challenging tasks: Story Outline Improvement (up to +30% interestingness), Mini-Crosswords Solving (up to +16% word success rate), and Constrained Generation (up to +10% concept coverage).

Dramatic progress has been witnessed in basic vision tasks involving low-level perception, such as object recognition, detection, and tracking. Unfortunately, there is still an enormous performance gap between artificial vision systems and human intelligence in terms of higher-level vision problems, especially ones involving reasoning. Earlier attempts in equipping machines with high-level reasoning have hovered around Visual Question Answering (VQA), one typical task associating vision and language understanding. In this work, we propose a new dataset, built in the context of Raven's Progressive Matrices (RPM) and aimed at lifting machine intelligence by associating vision with structural, relational, and analogical reasoning in a hierarchical representation. Unlike previous works in measuring abstract reasoning using RPM, we establish a semantic link between vision and reasoning by providing structure representation. This addition enables a new type of abstract reasoning by jointly operating on the structure representation. Machine reasoning ability using modern computer vision is evaluated in this newly proposed dataset. Additionally, we also provide human performance as a reference. Finally, we show consistent improvement across all models by incorporating a simple neural module that combines visual understanding and structure reasoning.

Solving grid puzzles involves a significant amount of logical reasoning. Hence, it is a good domain to evaluate the reasoning capability of a model which can then guide us to improve the reasoning ability of models. However, most existing works evaluate only the final predicted answer of a puzzle, without delving into an in-depth analysis of the LLMs' reasoning chains (such as where they falter) or providing any finer metrics to evaluate them. Since LLMs may rely on simple heuristics or artifacts to predict the final answer, it is crucial to evaluate the generated reasoning chain beyond overall correctness measures, for accurately evaluating the reasoning abilities of LLMs. To this end, we first develop GridPuzzle, an evaluation dataset comprising 274 grid-based puzzles with different complexities. Second, we propose a new error taxonomy derived from manual analysis of reasoning chains from LLMs including GPT-4, Claude-3, Gemini, Mistral, and Llama-2. Then, we develop an LLM-based framework for large-scale subjective evaluation (i.e., identifying errors) and an objective metric, PuzzleEval, to evaluate the correctness of reasoning chains. Evaluating reasoning chains from LLMs leads to several interesting findings. We further show that existing prompting methods used for enhancing models' reasoning abilities do not improve performance on GridPuzzle. This highlights the importance of understanding fine-grained errors and presents a challenge for future research to enhance LLMs' puzzle-solving abilities by developing methods that address these errors. Data and source code are available at https://github.com/Mihir3009/GridPuzzle.

Achieving human-level intelligence requires refining the transition from the fast, intuitive System 1 to the slower, more deliberate System 2 reasoning. While System 1 excels in quick, heuristic decisions, System 2 relies on logical reasoning for more accurate judgments and reduced biases. Foundational Large Language Models (LLMs) excel at fast decision-making but lack the depth for complex reasoning, as they have not yet fully embraced the step-by-step analysis characteristic of true System 2 thinking. Recently, reasoning LLMs like OpenAI's o1/o3 and DeepSeek's R1 have demonstrated expert-level performance in fields such as mathematics and coding, closely mimicking the deliberate reasoning of System 2 and showcasing human-like cognitive abilities. This survey begins with a brief overview of the progress in foundational LLMs and the early development of System 2 technologies, exploring how their combination has paved the way for reasoning LLMs. Next, we discuss how to construct reasoning LLMs, analyzing their features, the core methods enabling advanced reasoning, and the evolution of various reasoning LLMs. Additionally, we provide an overview of reasoning benchmarks, offering an in-depth comparison of the performance of representative reasoning LLMs. Finally, we explore promising directions for advancing reasoning LLMs and maintain a real-time https://github.com/zzli2022/Awesome-Slow-Reason-System{GitHub Repository} to track the latest developments. We hope this survey will serve as a valuable resource to inspire innovation and drive progress in this rapidly evolving field.

Large Language Models (LLMs) have achieved impressive performance on complex reasoning tasks with Chain-of-Thought (CoT) prompting. However, conventional CoT relies on reasoning steps explicitly verbalized in natural language, introducing inefficiencies and limiting its applicability to abstract reasoning. To address this, there has been growing research interest in latent CoT reasoning, where inference occurs within latent spaces. By decoupling reasoning from language, latent reasoning promises richer cognitive representations and more flexible, faster inference. Researchers have explored various directions in this promising field, including training methodologies, structural innovations, and internal reasoning mechanisms. This paper presents a comprehensive overview and analysis of this reasoning paradigm. We begin by proposing a unified taxonomy from four perspectives: token-wise strategies, internal mechanisms, analysis, and applications. We then provide in-depth discussions and comparative analyses of representative methods, highlighting their design patterns, strengths, and open challenges. We aim to provide a structured foundation for advancing this emerging direction in LLM reasoning. The relevant papers will be regularly updated at https://github.com/EIT-NLP/Awesome-Latent-CoT.

This paper presents an advanced mathematical problem-solving framework, LLaMA-Berry, for enhancing the mathematical reasoning ability of Large Language Models (LLMs). The framework combines Monte Carlo Tree Search (MCTS) with iterative Self-Refine to optimize the reasoning path and utilizes a pairwise reward model to evaluate different paths globally. By leveraging the self-critic and rewriting capabilities of LLMs, Self-Refine applied to MCTS (SR-MCTS) overcomes the inefficiencies and limitations of conventional step-wise and greedy search algorithms by fostering a more efficient exploration of solution spaces. Pairwise Preference Reward Model~(PPRM), inspired by Reinforcement Learning from Human Feedback (RLHF), is then used to model pairwise preferences between solutions, utilizing an Enhanced Borda Count (EBC) method to synthesize these preferences into a global ranking score to find better answers. This approach addresses the challenges of scoring variability and non-independent distributions in mathematical reasoning tasks. The framework has been tested on general and advanced benchmarks, showing superior performance in terms of search efficiency and problem-solving capability compared to existing methods like ToT and rStar, particularly in complex Olympiad-level benchmarks, including GPQA, AIME24 and AMC23.

Large language models (LLMs) typically employ sampling or beam search, accompanied by prompts such as Chain-of-Thought (CoT), to boost reasoning and decoding ability. Recent work like Tree-of-Thought (ToT) and Reasoning via Planning (RAP) aim to augment the reasoning capabilities of LLMs by utilizing tree-search algorithms to guide multi-step reasoning. These methods mainly focus on LLMs' reasoning ability during inference and heavily rely on human-designed prompts to activate LLM as a value function, which lacks general applicability and scalability. To address these limitations, we present an AlphaZero-like tree-search framework for LLMs (termed TS-LLM), systematically illustrating how tree-search with a learned value function can guide LLMs' decoding ability. TS-LLM distinguishes itself in two key ways: (1) Leveraging a learned value function, our approach can be generally applied to different tasks beyond reasoning (such as RLHF alignment), and LLMs of any size, without prompting advanced, large-scale models. (2) It can guide LLM's decoding during both inference and training. Empirical evaluations across reasoning, planning, and RLHF alignment tasks validate the effectiveness of TS-LLM, even on trees with a depth of 64.

Recent studies in using deep reinforcement learning (DRL) to solve Job-shop scheduling problems (JSSP) focus on construction heuristics. However, their performance is still far from optimality, mainly because the underlying graph representation scheme is unsuitable for modelling partial solutions at each construction step. This paper proposes a novel DRL-guided improvement heuristic for solving JSSP, where graph representation is employed to encode complete solutions. We design a Graph Neural-Network-based representation scheme, consisting of two modules to effectively capture the information of dynamic topology and different types of nodes in graphs encountered during the improvement process. To speed up solution evaluation during improvement, we present a novel message-passing mechanism that can evaluate multiple solutions simultaneously. We prove that the computational complexity of our method scales linearly with problem size. Experiments on classic benchmarks show that the improvement policy learned by our method outperforms state-of-the-art DRL-based methods by a large margin.

Large language models (LLMs) can perform reasoning computations both internally within their latent space and externally by generating explicit token sequences like chains of thought. Significant progress in enhancing reasoning abilities has been made by scaling test-time compute. However, understanding and quantifying model-internal reasoning abilities - the inferential "leaps" models make between individual token predictions - remains crucial. This study introduces a benchmark (n = 4,000 items) designed to quantify model-internal reasoning in different domains. We achieve this by having LLMs indicate the correct solution to reasoning problems not through descriptive text, but by selecting a specific language of their initial response token that is different from English, the benchmark language. This not only requires models to reason beyond their context window, but also to overrise their default tendency to respond in the same language as the prompt, thereby posing an additional cognitive strain. We evaluate a set of 18 LLMs, showing significant performance variations, with GPT-4.5 achieving the highest accuracy (74.7%), outperforming models like Grok-2 (67.2%), and Llama 3.1 405B (65.6%). Control experiments and difficulty scaling analyses suggest that while LLMs engage in internal reasoning, we cannot rule out heuristic exploitations under certain conditions, marking an area for future investigation. Our experiments demonstrate that LLMs can "think" via latent-space computations, revealing model-internal inference strategies that need further understanding, especially regarding safety-related concerns such as covert planning, goal-seeking, or deception emerging without explicit token traces.

Large Language Models (LLMs) have revolutionized natural language processing and hold immense potential for advancing Artificial Intelligence. However, the core architecture of most mainstream LLMs -- the Transformer -- has inherent limitations in computational depth, rendering them theoretically incapable of solving many reasoning tasks that demand increasingly deep computations. Chain of Thought (CoT) prompting has emerged as a technique to address these architectural limitations, as evidenced by several theoretical studies. It offers a promising approach to solving complex reasoning tasks that were previously beyond the capabilities of these models. Despite its successes, CoT and its variants (such as Tree of Thought, Graph of Thought, etc.) rely on a "one-prompt-for-all" approach, using a single prompt structure (e.g., "think step by step") for a wide range of tasks -- from counting and sorting to solving mathematical and algorithmic problems. This approach poses significant challenges for models to generate the correct reasoning steps, as the model must navigate through a vast prompt template space to find the appropriate template for each task. In this work, we build upon previous theoretical analyses of CoT to demonstrate how the one-prompt-for-all approach can negatively affect the computability of LLMs. We partition the solution search space into two: the prompt space and the answer space. Our findings show that task-specific supervision is essential for navigating the prompt space accurately and achieving optimal performance. Through experiments with state-of-the-art LLMs, we reveal a gap in reasoning performance when supervision is applied versus when it is not.

In this report we review memory-based meta-learning as a tool for building sample-efficient strategies that learn from past experience to adapt to any task within a target class. Our goal is to equip the reader with the conceptual foundations of this tool for building new, scalable agents that operate on broad domains. To do so, we present basic algorithmic templates for building near-optimal predictors and reinforcement learners which behave as if they had a probabilistic model that allowed them to efficiently exploit task structure. Furthermore, we recast memory-based meta-learning within a Bayesian framework, showing that the meta-learned strategies are near-optimal because they amortize Bayes-filtered data, where the adaptation is implemented in the memory dynamics as a state-machine of sufficient statistics. Essentially, memory-based meta-learning translates the hard problem of probabilistic sequential inference into a regression problem.

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

Human reasoning relies on constructing and manipulating mental models-simplified internal representations of situations that we use to understand and solve problems. Conceptual diagrams (for example, sketches drawn by humans to aid reasoning) externalize these mental models, abstracting irrelevant details to efficiently capture relational and spatial information. In contrast, Large Language Models (LLMs) and Large Multimodal Models (LMMs) predominantly reason through textual representations, limiting their effectiveness in complex multi-step combinatorial and planning tasks. In this paper, we propose a zero-shot fully automatic framework that enables LMMs to reason through multiple chains of self-generated intermediate conceptual diagrams, significantly enhancing their combinatorial planning capabilities. Our approach does not require any human initialization beyond a natural language description of the task. It integrates both textual and diagrammatic reasoning within an optimized graph-of-thought inference framework, enhanced by beam search and depth-wise backtracking. Evaluated on multiple challenging PDDL planning domains, our method substantially improves GPT-4o's performance (for example, from 35.5% to 90.2% in Blocksworld). On more difficult planning domains with solution depths up to 40, our approach outperforms even the o1-preview reasoning model (for example, over 13% improvement in Parking). These results highlight the value of conceptual diagrams as a complementary reasoning medium in LMMs.

Graph mining workloads aim to extract structural properties of a graph by exploring its subgraph structures. General purpose graph mining systems provide a generic runtime to explore subgraph structures of interest with the help of user-defined functions that guide the overall exploration process. However, the state-of-the-art graph mining systems remain largely oblivious to the shape (or pattern) of the subgraphs that they mine. This causes them to: (a) explore unnecessary subgraphs; (b) perform expensive computations on the explored subgraphs; and, (c) hold intermediate partial subgraphs in memory; all of which affect their overall performance. Furthermore, their programming models are often tied to their underlying exploration strategies, which makes it difficult for domain users to express complex mining tasks. In this paper, we develop Peregrine, a pattern-aware graph mining system that directly explores the subgraphs of interest while avoiding exploration of unnecessary subgraphs, and simultaneously bypassing expensive computations throughout the mining process. We design a pattern-based programming model that treats "graph patterns" as first class constructs and enables Peregrine to extract the semantics of patterns, which it uses to guide its exploration. Our evaluation shows that Peregrine outperforms state-of-the-art distributed and single machine graph mining systems, and scales to complex mining tasks on larger graphs, while retaining simplicity and expressivity with its "pattern-first" programming approach.

Reward machines (RMs) are a recent formalism for representing the reward function of a reinforcement learning task through a finite-state machine whose edges encode subgoals of the task using high-level events. The structure of RMs enables the decomposition of a task into simpler and independently solvable subtasks that help tackle long-horizon and/or sparse reward tasks. We propose a formalism for further abstracting the subtask structure by endowing an RM with the ability to call other RMs, thus composing a hierarchy of RMs (HRM). We exploit HRMs by treating each call to an RM as an independently solvable subtask using the options framework, and describe a curriculum-based method to learn HRMs from traces observed by the agent. Our experiments reveal that exploiting a handcrafted HRM leads to faster convergence than with a flat HRM, and that learning an HRM is feasible in cases where its equivalent flat representation is not.

Recent advancements in Large Language Models (LLMs) have demonstrated their potential in planning and reasoning tasks, offering a flexible alternative to classical pathfinding algorithms. However, most existing studies focus on LLMs' independent reasoning capabilities and overlook the potential synergy between LLMs and traditional algorithms. To fill this gap, we propose a comprehensive evaluation benchmark GridRoute to assess how LLMs can take advantage of traditional algorithms. We also propose a novel hybrid prompting technique called Algorithm of Thought (AoT), which introduces traditional algorithms' guidance into prompting. Our benchmark evaluates six LLMs ranging from 7B to 72B parameters across various map sizes, assessing their performance in correctness, optimality, and efficiency in grid environments with varying sizes. Our results show that AoT significantly boosts performance across all model sizes, particularly in larger or more complex environments, suggesting a promising approach to addressing path planning challenges. Our code is open-sourced at https://github.com/LinChance/GridRoute.

Large language model (LLM) performance on reasoning problems typically does not generalize out of distribution. Previous work has claimed that this can be mitigated by modifying prompts to include examples with chains of thought--demonstrations of solution procedures--with the intuition that it is possible to in-context teach an LLM an algorithm for solving the problem. This paper presents a case study of chain of thought on problems from Blocksworld, a classical planning domain, and examine the performance of two state-of-the-art LLMs across two axes: generality of examples given in prompt, and complexity of problems queried with each prompt. While our problems are very simple, we only find meaningful performance improvements from chain of thought prompts when those prompts are exceedingly specific to their problem class, and that those improvements quickly deteriorate as the size n of the query-specified stack grows past the size of stacks shown in the examples. Our results hint that, contrary to previous claims in the literature, CoT's performance improvements do not stem from the model learning general algorithmic procedures via demonstrations and depend on carefully engineering highly problem specific prompts. This spotlights drawbacks of chain of thought, especially because of the sharp tradeoff between possible performance gains and the amount of human labor necessary to generate examples with correct reasoning traces.

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.

Large language models (LLMs) have demonstrated powerful decision-making and planning capabilities in solving complicated real-world problems. LLM-based autonomous agents can interact with diverse tools (e.g., functional APIs) and generate solution plans that execute a series of API function calls in a step-by-step manner. The multitude of candidate API function calls significantly expands the action space, amplifying the critical need for efficient action space navigation. However, existing methods either struggle with unidirectional exploration in expansive action spaces, trapped into a locally optimal solution, or suffer from exhaustively traversing all potential actions, causing inefficient navigation. To address these issues, we propose ToolChain*, an efficient tree search-based planning algorithm for LLM-based agents. It formulates the entire action space as a decision tree, where each node represents a possible API function call involved in a solution plan. By incorporating the A* search algorithm with task-specific cost function design, it efficiently prunes high-cost branches that may involve incorrect actions, identifying the most low-cost valid path as the solution. Extensive experiments on multiple tool-use and reasoning tasks demonstrate that ToolChain* efficiently balances exploration and exploitation within an expansive action space. It outperforms state-of-the-art baselines on planning and reasoning tasks by 3.1% and 3.5% on average while requiring 7.35x and 2.31x less time, respectively.

We introduce iterative reasoning through energy diffusion (IRED), a novel framework for learning to reason for a variety of tasks by formulating reasoning and decision-making problems with energy-based optimization. IRED learns energy functions to represent the constraints between input conditions and desired outputs. After training, IRED adapts the number of optimization steps during inference based on problem difficulty, enabling it to solve problems outside its training distribution -- such as more complex Sudoku puzzles, matrix completion with large value magnitudes, and pathfinding in larger graphs. Key to our method's success is two novel techniques: learning a sequence of annealed energy landscapes for easier inference and a combination of score function and energy landscape supervision for faster and more stable training. Our experiments show that IRED outperforms existing methods in continuous-space reasoning, discrete-space reasoning, and planning tasks, particularly in more challenging scenarios. Code and visualizations at https://energy-based-model.github.io/ired/

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

Certain statistical models are capable of interpreting input strings as instructions, or prompts, and carry out tasks based on them. Many approaches to prompting and pre-training these models involve the automated generation of these prompts. We call these approaches meta-prompting, or prompting to obtain prompts. We propose a theoretical framework based on category theory to generalize and describe them. This framework is flexible enough to account for LLM stochasticity; and allows us to obtain formal results around task agnosticity and equivalence of various meta-prompting approaches. We experiment with meta-prompting in two active areas of model research: creativity and ideation. We find that user preference favors (p < 0.01) the prompts generated under meta-prompting, as well as their corresponding outputs, over a series of hardcoded baseline prompts that include the original task prompt. Using our framework, we argue that meta-prompting is more effective than basic prompting at generating desirable outputs.

We propose an intuitive LLM prompting framework (AgentKit) for multifunctional agents. AgentKit offers a unified framework for explicitly constructing a complex "thought process" from simple natural language prompts. The basic building block in AgentKit is a node, containing a natural language prompt for a specific subtask. The user then puts together chains of nodes, like stacking LEGO pieces. The chains of nodes can be designed to explicitly enforce a naturally structured "thought process". For example, for the task of writing a paper, one may start with the thought process of 1) identify a core message, 2) identify prior research gaps, etc. The nodes in AgentKit can be designed and combined in different ways to implement multiple advanced capabilities including on-the-fly hierarchical planning, reflection, and learning from interactions. In addition, due to the modular nature and the intuitive design to simulate explicit human thought process, a basic agent could be implemented as simple as a list of prompts for the subtasks and therefore could be designed and tuned by someone without any programming experience. Quantitatively, we show that agents designed through AgentKit achieve SOTA performance on WebShop and Crafter. These advances underscore AgentKit's potential in making LLM agents effective and accessible for a wider range of applications. https://github.com/holmeswww/AgentKit

Recent breakthroughs in large language models (LLMs) have effectively improved their reasoning abilities, particularly on mathematical and logical problems that have verifiable answers, through techniques such as supervised finetuning (SFT) and reinforcement learning (RL). Prior research indicates that RL effectively internalizes search strategies, enabling long chain-of-thought (CoT) reasoning, with backtracking emerging naturally as a learned capability. However, the precise benefits of backtracking, specifically, how significantly it contributes to reasoning improvements and the optimal extent of its use, remain poorly understood. In this work, we systematically investigate the dynamics between SFT and RL on eight reasoning tasks: Countdown, Sudoku, Arc 1D, Geometry, Color Cube Rotation, List Functions, Zebra Puzzles, and Self Reference. Our findings highlight that short CoT sequences used in SFT as a warm-up do have moderate contribution to RL training, compared with cold-start RL; however such contribution diminishes when tasks become increasingly difficult. Motivated by this observation, we construct synthetic datasets varying systematically in the number of backtracking steps and conduct controlled experiments to isolate the influence of either the correctness (content) or the structure (i.e., backtrack frequency). We find that (1) longer CoT with backtracks generally induce better and more stable RL training, (2) more challenging problems with larger search space tend to need higher numbers of backtracks during the SFT stage. Additionally, we demonstrate through experiments on distilled data that RL training is largely unaffected by the correctness of long CoT sequences, suggesting that RL prioritizes structural patterns over content correctness. Collectively, our results offer practical insights into designing optimal training strategies to effectively scale reasoning in LLMs.

The alignments of reasoning abilities between smaller and larger Language Models are largely conducted via Supervised Fine-Tuning (SFT) using demonstrations generated from robust Large Language Models (LLMs). Although these approaches deliver more performant models, they do not show sufficiently strong generalization ability as the training only relies on the provided demonstrations. In this paper, we propose the Self-refine Instruction-tuning method that elicits Smaller Language Models to self-refine their abilities. Our approach is based on a two-stage process, where reasoning abilities are first transferred between LLMs and Small Language Models (SLMs) via Instruction-tuning on demonstrations provided by LLMs, and then the instructed models Self-refine their abilities through preference optimization strategies. In particular, the second phase operates refinement heuristics based on the Direct Preference Optimization algorithm, where the SLMs are elicited to deliver a series of reasoning paths by automatically sampling the generated responses and providing rewards using ground truths from the LLMs. Results obtained on commonsense and math reasoning tasks show that this approach significantly outperforms Instruction-tuning in both in-domain and out-domain scenarios, aligning the reasoning abilities of Smaller and Larger Language Models.

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

Several recent advances in AI systems (e.g., Tree-of-Thoughts and Program-Aided Language Models) solve problems by providing a "scaffolding" program that structures multiple calls to language models to generate better outputs. A scaffolding program is written in a programming language such as Python. In this work, we use a language-model-infused scaffolding program to improve itself. We start with a seed "improver" that improves an input program according to a given utility function by querying a language model several times and returning the best solution. We then run this seed improver to improve itself. Across a small set of downstream tasks, the resulting improved improver generates programs with significantly better performance than its seed improver. Afterward, we analyze the variety of self-improvement strategies proposed by the language model, including beam search, genetic algorithms, and simulated annealing. Since the language models themselves are not altered, this is not full recursive self-improvement. Nonetheless, it demonstrates that a modern language model, GPT-4 in our proof-of-concept experiments, is capable of writing code that can call itself to improve itself. We critically consider concerns around the development of self-improving technologies and evaluate the frequency with which the generated code bypasses a sandbox.

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

Recently, Chain-of-Thought (CoT) prompting has delivered success on complex reasoning tasks, which aims at designing a simple prompt like ``Let's think step by step'' or multiple in-context exemplars with well-designed rationales to elicit Large Language Models (LLMs) to generate intermediate reasoning steps. However, the generated rationales often come with mistakes, making unfactual and unfaithful reasoning chains. To mitigate this brittleness, we propose a novel Chain-of-Knowledge (CoK) prompting, where we aim at eliciting LLMs to generate explicit pieces of knowledge evidence in the form of structure triple. This is inspired by our human behaviors, i.e., we can draw a mind map or knowledge map as the reasoning evidence in the brain before answering a complex question. Benefiting from CoK, we additionally introduce a F^2-Verification method to estimate the reliability of the reasoning chains in terms of factuality and faithfulness. For the unreliable response, the wrong evidence can be indicated to prompt the LLM to rethink. Extensive experiments demonstrate that our method can further improve the performance of commonsense, factual, symbolic, and arithmetic reasoning tasks.

Peer review is a cornerstone of quality control in scientific publishing. With the increasing workload, the unintended use of `quick' heuristics, referred to as lazy thinking, has emerged as a recurring issue compromising review quality. Automated methods to detect such heuristics can help improve the peer-reviewing process. However, there is limited NLP research on this issue, and no real-world dataset exists to support the development of detection tools. This work introduces LazyReview, a dataset of peer-review sentences annotated with fine-grained lazy thinking categories. Our analysis reveals that Large Language Models (LLMs) struggle to detect these instances in a zero-shot setting. However, instruction-based fine-tuning on our dataset significantly boosts performance by 10-20 performance points, highlighting the importance of high-quality training data. Furthermore, a controlled experiment demonstrates that reviews revised with lazy thinking feedback are more comprehensive and actionable than those written without such feedback. We will release our dataset and the enhanced guidelines that can be used to train junior reviewers in the community. (Code available here: https://github.com/UKPLab/arxiv2025-lazy-review)

Reinforcement Learning from Human Feedback (RLHF) has emerged as a dominant approach for aligning LLM outputs with human preferences. Inspired by the success of RLHF, we study the performance of multiple algorithms that learn from feedback (Expert Iteration, Proximal Policy Optimization (PPO), Return-Conditioned RL) on improving LLM reasoning capabilities. We investigate both sparse and dense rewards provided to the LLM both heuristically and via a learned reward model. We additionally start from multiple model sizes and initializations both with and without supervised fine-tuning (SFT) data. Overall, we find all algorithms perform comparably, with Expert Iteration performing best in most cases. Surprisingly, we find the sample complexity of Expert Iteration is similar to that of PPO, requiring at most on the order of 10^6 samples to converge from a pretrained checkpoint. We investigate why this is the case, concluding that during RL training models fail to explore significantly beyond solutions already produced by SFT models. Additionally, we discuss a trade off between maj@1 and pass@96 metric performance during SFT training and how conversely RL training improves both simultaneously. We then conclude by discussing the implications of our findings for RLHF and the future role of RL in LLM fine-tuning.

Universally modeling all typical information extraction tasks (UIE) with one generative language model (GLM) has revealed great potential by the latest study, where various IE predictions are unified into a linearized hierarchical expression under a GLM. Syntactic structure information, a type of effective feature which has been extensively utilized in IE community, should also be beneficial to UIE. In this work, we propose a novel structure-aware GLM, fully unleashing the power of syntactic knowledge for UIE. A heterogeneous structure inductor is explored to unsupervisedly induce rich heterogeneous structural representations by post-training an existing GLM. In particular, a structural broadcaster is devised to compact various latent trees into explicit high-order forests, helping to guide a better generation during decoding. We finally introduce a task-oriented structure fine-tuning mechanism, further adjusting the learned structures to most coincide with the end-task's need. Over 12 IE benchmarks across 7 tasks our system shows significant improvements over the baseline UIE system. Further in-depth analyses show that our GLM learns rich task-adaptive structural bias that greatly resolves the UIE crux, the long-range dependence issue and boundary identifying. Source codes are open at https://github.com/ChocoWu/LasUIE.

With infinitely many high-quality data points, infinite computational power, an infinitely large foundation model with a perfect training algorithm and guaranteed zero generalization error on the pretext task, can the model be used for everything? This question cannot be answered by the existing theory of representation, optimization or generalization, because the issues they mainly investigate are assumed to be nonexistent here. In this paper, we show that category theory provides powerful machinery to answer this question. We have proved three results. The first one limits the power of prompt-based learning, saying that the model can solve a downstream task with prompts if and only if the task is representable. The second one says fine tuning does not have this limit, as a foundation model with the minimum required power (up to symmetry) can theoretically solve downstream tasks for the category defined by pretext task, with fine tuning and enough resources. Our final result can be seen as a new type of generalization theorem, showing that the foundation model can generate unseen objects from the target category (e.g., images) using the structural information from the source category (e.g., texts). Along the way, we provide a categorical framework for supervised and self-supervised learning, which might be of independent interest.

We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.

We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.

Chain-of-Thought (CoT) prompting enhances the reasoning of large language models (LLMs) by decomposing problems into sequential steps, mimicking human logic and reducing errors. However, complex tasks with vast solution spaces and vague constraints often exceed the capacity of a single reasoning chain. Inspired by Minimal Free Resolution (MFR) in commutative algebra and algebraic geometry, we propose Syzygy of Thoughts (SoT)-a novel framework that extends CoT by introducing auxiliary, interrelated reasoning paths. SoT captures deeper logical dependencies, enabling more robust and structured problem-solving. MFR decomposes a module into a sequence of free modules with minimal rank, providing a structured analytical approach to complex systems. This method introduces the concepts of "Module", "Betti numbers","Freeness", "Mapping", "Exactness" and "Minimality", enabling the systematic decomposition of the original complex problem into logically complete minimal subproblems while preserving key problem features and reducing reasoning length. We tested SoT across diverse datasets (e.g., GSM8K, MATH) and models (e.g., GPT-4o-mini, Qwen2.5), achieving inference accuracy that matches or surpasses mainstream CoTs standards. Additionally, by aligning the sampling process with algebraic constraints, our approach enhances the scalability of inference time in LLMs, ensuring both transparent reasoning and high performance. Our code will be publicly available at https://github.com/dlMARiA/Syzygy-of-thoughts.

Large Language Models (LLMs) have succeeded remarkably in various natural language processing (NLP) tasks, yet their reasoning capabilities remain a fundamental challenge. While LLMs exhibit impressive fluency and factual recall, their ability to perform complex reasoning-spanning logical deduction, mathematical problem-solving, commonsense inference, and multi-step reasoning-often falls short of human expectations. This survey provides a comprehensive review of emerging techniques enhancing reasoning in LLMs. We categorize existing methods into key approaches, including prompting strategies (e.g., Chain-of-Thought reasoning, Self-Consistency, and Tree-of-Thought reasoning), architectural innovations (e.g., retrieval-augmented models, modular reasoning networks, and neuro-symbolic integration), and learning paradigms (e.g., fine-tuning with reasoning-specific datasets, reinforcement learning, and self-supervised reasoning objectives). Additionally, we explore evaluation frameworks used to assess reasoning in LLMs and highlight open challenges, such as hallucinations, robustness, and reasoning generalization across diverse tasks. By synthesizing recent advancements, this survey aims to provide insights into promising directions for future research and practical applications of reasoning-augmented LLMs.

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic k-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

The Text-to-SQL(Text2SQL) task aims to convert natural language queries into executable SQL queries. Thanks to the application of large language models (LLMs), significant progress has been made in this field. However, challenges such as model scalability, limited generation space, and coherence issues in SQL generation still persist. To address these issues, we propose SQL-o1, a Self-Reward-based heuristic search method designed to enhance the reasoning ability of LLMs in SQL query generation. SQL-o1 combines Monte Carlo Tree Search (MCTS) for heuristic process-level search and constructs a Schema-Aware dataset to help the model better understand database schemas. Extensive experiments on the Bird and Spider datasets demonstrate that SQL-o1 improves execution accuracy by 10.8\% on the complex Bird dataset compared to the latest baseline methods, even outperforming GPT-4-based approaches. Additionally, SQL-o1 excels in few-shot learning scenarios and shows strong cross-model transferability. Our code is publicly available at:https://github.com/ShuaiLyu0110/SQL-o1.

A major technique in learning-augmented online algorithms is combining multiple algorithms or predictors. Since the performance of each predictor may vary over time, it is desirable to use not the single best predictor as a benchmark, but rather a dynamic combination which follows different predictors at different times. We design algorithms that combine predictions and are competitive against such dynamic combinations for a wide class of online problems, namely, metrical task systems. Against the best (in hindsight) unconstrained combination of ell predictors, we obtain a competitive ratio of O(ell^2), and show that this is best possible. However, for a benchmark with slightly constrained number of switches between different predictors, we can get a (1+epsilon)-competitive algorithm. Moreover, our algorithms can be adapted to access predictors in a bandit-like fashion, querying only one predictor at a time. An unexpected implication of one of our lower bounds is a new structural insight about covering formulations for the k-server problem.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm -- using only the number of iterations as feedback -- can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

While recent advances in artificial intelligence have achieved human-level performance in environments like Starcraft and Go, many physical reasoning tasks remain challenging for modern algorithms. To date, few algorithms have been evaluated on physical tasks that involve manipulating objects when movable obstacles are present and when tools must be used to perform the manipulation. To promote research on such tasks, we introduce PushWorld, an environment with simplistic physics that requires manipulation planning with both movable obstacles and tools. We provide a benchmark of more than 200 PushWorld puzzles in PDDL and in an OpenAI Gym environment. We evaluate state-of-the-art classical planning and reinforcement learning algorithms on this benchmark, and we find that these baseline results are below human-level performance. We then provide a new classical planning heuristic that solves the most puzzles among the baselines, and although it is 40 times faster than the best baseline planner, it remains below human-level performance.

Choosing automatically the right algorithm using problem descriptors is a classical component of combinatorial optimization. It is also a good tool for making evolutionary algorithms fast, robust and versatile. We present Shiwa, an algorithm good at both discrete and continuous, noisy and noise-free, sequential and parallel, black-box optimization. Our algorithm is experimentally compared to competitors on YABBOB, a BBOB comparable testbed, and on some variants of it, and then validated on several real world testbeds.

To make effective decisions in novel environments with long-horizon goals, it is crucial to engage in hierarchical reasoning across spatial and temporal scales. This entails planning abstract subgoal sequences, visually reasoning about the underlying plans, and executing actions in accordance with the devised plan through visual-motor control. We propose Compositional Foundation Models for Hierarchical Planning (HiP), a foundation model which leverages multiple expert foundation model trained on language, vision and action data individually jointly together to solve long-horizon tasks. We use a large language model to construct symbolic plans that are grounded in the environment through a large video diffusion model. Generated video plans are then grounded to visual-motor control, through an inverse dynamics model that infers actions from generated videos. To enable effective reasoning within this hierarchy, we enforce consistency between the models via iterative refinement. We illustrate the efficacy and adaptability of our approach in three different long-horizon table-top manipulation tasks.

Recent Large Reasoning Models (LRMs), such as DeepSeek-R1 and OpenAI o1, have demonstrated strong performance gains by scaling up the length of Chain-of-Thought (CoT) reasoning during inference. However, a growing concern lies in their tendency to produce excessively long reasoning traces, which are often filled with redundant content (e.g., repeated definitions), over-analysis of simple problems, and superficial exploration of multiple reasoning paths for harder tasks. This inefficiency introduces significant challenges for training, inference, and real-world deployment (e.g., in agent-based systems), where token economy is critical. In this survey, we provide a comprehensive overview of recent efforts aimed at improving reasoning efficiency in LRMs, with a particular focus on the unique challenges that arise in this new paradigm. We identify common patterns of inefficiency, examine methods proposed across the LRM lifecycle, i.e., from pretraining to inference, and discuss promising future directions for research. To support ongoing development, we also maintain a real-time GitHub repository tracking recent progress in the field. We hope this survey serves as a foundation for further exploration and inspires innovation in this rapidly evolving area.

Most existing chain-of-thought (CoT) prompting methods suffer from the issues of generalizability and consistency, as they often rely on instance-specific solutions that may not be applicable to other cases and lack task-level consistency in their reasoning steps. To address these limitations, we propose a comprehensive framework, StrategyLLM, harnessing the capabilities of LLMs to construct generalizable and consistent few-shot prompts for various tasks automatically. To this end, StrategyLLM employs four LLM-based agents: strategy generator, executor, optimizer, and evaluator, working together to generate, evaluate, and select promising strategies for a given task. The experimental results demonstrate that StrategyLLM outperforms the competitive baseline CoT-SC that requires human-annotated solutions on 13 datasets across 4 challenging tasks without human involvement, including math reasoning (34.21% rightarrow 38.79%), commonsense reasoning (70.3% rightarrow 72.5%), algorithmic reasoning (51.7% rightarrow 62.0%), and symbolic reasoning (30.0% rightarrow 79.2%).

Large language models (LLMs) have dramatically enhanced the field of language intelligence, as demonstrably evidenced by their formidable empirical performance across a spectrum of complex reasoning tasks. Additionally, theoretical proofs have illuminated their emergent reasoning capabilities, providing a compelling showcase of their advanced cognitive abilities in linguistic contexts. Critical to their remarkable efficacy in handling complex reasoning tasks, LLMs leverage the intriguing chain-of-thought (CoT) reasoning techniques, obliging them to formulate intermediate steps en route to deriving an answer. The CoT reasoning approach has not only exhibited proficiency in amplifying reasoning performance but also in enhancing interpretability, controllability, and flexibility. In light of these merits, recent research endeavors have extended CoT reasoning methodologies to nurture the development of autonomous language agents, which adeptly adhere to language instructions and execute actions within varied environments. This survey paper orchestrates a thorough discourse, penetrating vital research dimensions, encompassing: (i) the foundational mechanics of CoT techniques, with a focus on elucidating the circumstances and justification behind its efficacy; (ii) the paradigm shift in CoT; and (iii) the burgeoning of language agents fortified by CoT approaches. Prospective research avenues envelop explorations into generalization, efficiency, customization, scaling, and safety. This paper caters to a wide audience, including beginners seeking comprehensive knowledge of CoT reasoning and language agents, as well as experienced researchers interested in foundational mechanics and engaging in cutting-edge discussions on these topics. A repository for the related papers is available at https://github.com/Zoeyyao27/CoT-Igniting-Agent.

Large Language Models (LLMs) exhibit remarkable proficiency in addressing a diverse array of tasks within the Natural Language Processing (NLP) domain, with various prompt design strategies significantly augmenting their capabilities. However, these prompts, while beneficial, each possess inherent limitations. The primary prompt design methodologies are twofold: The first, exemplified by the Chain of Thought (CoT), involves manually crafting prompts specific to individual datasets, hence termed Expert-Designed Prompts (EDPs). Once these prompts are established, they are unalterable, and their effectiveness is capped by the expertise of the human designers. When applied to LLMs, the static nature of EDPs results in a uniform approach to both simple and complex problems within the same dataset, leading to the inefficient use of tokens for straightforward issues. The second method involves prompts autonomously generated by the LLM, known as LLM-Derived Prompts (LDPs), which provide tailored solutions to specific problems, mitigating the limitations of EDPs. However, LDPs may encounter a decline in performance when tackling complex problems due to the potential for error accumulation during the solution planning process. To address these challenges, we have conceived a novel Prompt Recursive Search (PRS) framework that leverages the LLM to generate solutions specific to the problem, thereby conserving tokens. The framework incorporates an assessment of problem complexity and an adjustable structure, ensuring a reduction in the likelihood of errors. We have substantiated the efficacy of PRS framework through extensive experiments using LLMs with different numbers of parameters across a spectrum of datasets in various domains. Compared to the CoT method, the PRS method has increased the accuracy on the BBH dataset by 8% using Llama3-7B model, achieving a 22% improvement.

While test-time reasoning enables language models to tackle complex tasks, searching or planning in natural language can be slow, costly, and error-prone. But even when LMs struggle to emulate the precise reasoning steps needed to solve a problem, they often excel at describing its abstract structure--both how to verify solutions and how to search for them. This paper introduces DisCIPL, a method for "self-steering" LMs where a Planner model generates a task-specific inference program that is executed by a population of Follower models. Our approach equips LMs with the ability to write recursive search procedures that guide LM inference, enabling new forms of verifiable and efficient reasoning. When instantiated with a small Follower (e.g., Llama-3.2-1B), DisCIPL matches (and sometimes outperforms) much larger models, including GPT-4o and o1, on challenging constrained generation tasks. In decoupling planning from execution, our work opens up a design space of highly-parallelized Monte Carlo inference strategies that outperform standard best-of-N sampling, require no finetuning, and can be implemented automatically by existing LMs.

The emergence of large reasoning models (LRMs) has transformed Natural Language Processing by excelling in complex tasks such as mathematical problem-solving and code generation. These models leverage chain-of-thought (CoT) processes, enabling them to emulate human-like reasoning strategies. However, the advancement of LRMs is hindered by the lack of comprehensive CoT datasets. Current resources often fail to provide extensive reasoning problems with coherent CoT processes distilled from multiple teacher models and do not account for multifaceted properties describing the internal characteristics of CoTs. To address these challenges, we introduce OmniThought, a large-scale dataset featuring 2 million CoT processes generated and validated by two powerful LRMs as teacher models. Each CoT process in OmniThought is annotated with novel Reasoning Verbosity (RV) and Cognitive Difficulty (CD) scores, which describe the appropriateness of CoT verbosity and cognitive difficulty level for models to comprehend these reasoning processes. We further establish a self-reliant pipeline to curate this dataset. Extensive experiments using Qwen2.5 models of various sizes demonstrate the positive impact of our proposed scores on LRM training effectiveness. Based on the proposed OmniThought dataset, we further train and release a series of high-performing LRMs, specifically equipped with stronger reasoning abilities and optimal CoT output length and difficulty level. Our contributions significantly enhance the development and training of LRMs for solving complex tasks.

The paper proposes a novel machine learning-based approach to the pathfinding problem on extremely large graphs. This method leverages diffusion distance estimation via a neural network and uses beam search for pathfinding. We demonstrate its efficiency by finding solutions for 4x4x4 and 5x5x5 Rubik's cubes with unprecedentedly short solution lengths, outperforming all available solvers and introducing the first machine learning solver beyond the 3x3x3 case. In particular, it surpasses every single case of the combined best results in the Kaggle Santa 2023 challenge, which involved over 1,000 teams. For the 3x3x3 Rubik's cube, our approach achieves an optimality rate exceeding 98%, matching the performance of task-specific solvers and significantly outperforming prior solutions such as DeepCubeA (60.3%) and EfficientCube (69.6%). Additionally, our solution is more than 26 times faster in solving 3x3x3 Rubik's cubes while requiring up to 18.5 times less model training time than the most efficient state-of-the-art competitor.

Diffusion models have shown promising generative capabilities across diverse domains, yet aligning their outputs with desired reward functions remains a challenge, particularly in cases where reward functions are non-differentiable. Some gradient-free guidance methods have been developed, but they often struggle to achieve optimal inference-time alignment. In this work, we newly frame inference-time alignment in diffusion as a search problem and propose Dynamic Search for Diffusion (DSearch), which subsamples from denoising processes and approximates intermediate node rewards. It also dynamically adjusts beam width and tree expansion to efficiently explore high-reward generations. To refine intermediate decisions, DSearch incorporates adaptive scheduling based on noise levels and a lookahead heuristic function. We validate DSearch across multiple domains, including biological sequence design, molecular optimization, and image generation, demonstrating superior reward optimization compared to existing approaches.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of ``slow thinking" into multimodal large language models (MLLMs). Contrary to existing methods that rely on direct or fast thinking, our key idea is to construct long chains of thought (CoT) consisting of atomic actions in a step-by-step manner, guiding MLLMs to perform complex reasoning. To this end, we design a novel AtomThink framework composed of three key modules: (i) a CoT annotation engine that automatically generates high-quality CoT annotations to address the lack of high-quality visual mathematical data; (ii) an atomic step fine-tuning strategy that jointly optimizes an MLLM and a policy reward model (PRM) for step-wise reasoning; and (iii) four different search strategies that can be applied with the PRM to complete reasoning. Additionally, we propose AtomMATH, a large-scale multimodal dataset of long CoTs, and an atomic capability evaluation metric for mathematical tasks. Extensive experimental results show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving approximately 50\% relative accuracy gains on MathVista and 120\% on MathVerse. To support the advancement of multimodal slow-thinking models, we will make our code and dataset publicly available on https://github.com/Quinn777/AtomThink.

The recent development of chain-of-thought (CoT) decoding has enabled large language models (LLMs) to generate explicit logical reasoning paths for complex problem-solving. However, research indicates that these paths are not always deliberate and optimal. The tree-of-thought (ToT) method employs tree-searching to extensively explore the reasoning space and find better reasoning paths that CoT decoding might overlook. This deliberation, however, comes at the cost of significantly increased inference complexity. In this work, we demonstrate that fine-tuning LLMs leveraging the search tree constructed by ToT allows CoT to achieve similar or better performance, thereby avoiding the substantial inference burden. This is achieved through Chain of Preference Optimization (CPO), where LLMs are fine-tuned to align each step of the CoT reasoning paths with those of ToT using the inherent preference information in the tree-search process. Extensive experimental results show that CPO significantly improves LLM performance in solving a variety of complex problems, including question answering, fact verification, and arithmetic reasoning, demonstrating its effectiveness. Our code is available at https://github.com/sail-sg/CPO.

We study the design of sample-efficient algorithms for reinforcement learning in the presence of rich, high-dimensional observations, formalized via the Block MDP problem. Existing algorithms suffer from either 1) computational intractability, 2) strong statistical assumptions that are not necessarily satisfied in practice, or 3) suboptimal sample complexity. We address these issues by providing the first computationally efficient algorithm that attains rate-optimal sample complexity with respect to the desired accuracy level, with minimal statistical assumptions. Our algorithm, MusIK, combines systematic exploration with representation learning based on multi-step inverse kinematics, a learning objective in which the aim is to predict the learner's own action from the current observation and observations in the (potentially distant) future. MusIK is simple and flexible, and can efficiently take advantage of general-purpose function approximation. Our analysis leverages several new techniques tailored to non-optimistic exploration algorithms, which we anticipate will find broader use.

Multimodal large language models (MLLMs) exhibit impressive capabilities but still face challenges in complex visual reasoning. While recent efforts attempt to enhance MLLMs' reasoning by incorporating OpenAI o1-like structured thinking through explicit search structures or teacher-guided distillation, they often struggle to balance performance and efficiency. A critical limitation is their heavy reliance on extensive data and search spaces, resulting in low-efficiency implicit insight extraction and data utilization. To address this, we propose AStar, an Automated Structured thinking paradigm for multimodal reasoning via Monte Carlo Tree Search (MCTS). AStar automatically derives high-level cognitive reasoning patterns from limited data using MCTS-powered hierarchical structures. Building on these explicit patterns, we design a unified reasoning framework that seamlessly integrates models' internal reasoning capabilities and external reasoning guidelines, enabling efficient inference with minimal tree iterations. This novel paradigm strikes a compelling balance between performance and efficiency. Extensive experiments demonstrate AStar's effectiveness, achieving superior accuracy (54.0%) on the MathVerse benchmark with a 7B backbone, surpassing GPT-4o (50.2%) while maintaining substantial data and computational efficiency.

To deduce new facts on a knowledge graph (KG), a link predictor learns from the graph structure and collects local evidence to find the answer to a given query. However, existing methods suffer from a severe scalability problem due to the utilization of the whole KG for prediction, which hinders their promise on large scale KGs and cannot be directly addressed by vanilla sampling methods. In this work, we propose the one-shot-subgraph link prediction to achieve efficient and adaptive prediction. The design principle is that, instead of directly acting on the whole KG, the prediction procedure is decoupled into two steps, i.e., (i) extracting only one subgraph according to the query and (ii) predicting on this single, query dependent subgraph. We reveal that the non-parametric and computation-efficient heuristics Personalized PageRank (PPR) can effectively identify the potential answers and supporting evidence. With efficient subgraph-based prediction, we further introduce the automated searching of the optimal configurations in both data and model spaces. Empirically, we achieve promoted efficiency and leading performances on five large-scale benchmarks. The code is publicly available at: https://github.com/tmlr-group/one-shot-subgraph.

The Airbnb search system grapples with many unique challenges as it continues to evolve. We oversee a marketplace that is nuanced by geography, diversity of homes, and guests with a variety of preferences. Crafting an efficient search system that can accommodate diverse guest needs, while showcasing relevant homes lies at the heart of Airbnb's success. Airbnb search has many challenges that parallel other recommendation and search systems but it has a unique information retrieval problem, upstream of ranking, called location retrieval. It requires defining a topological map area that is relevant to the searched query for homes listing retrieval. The purpose of this paper is to demonstrate the methodology, challenges, and impact of building a machine learning based location retrieval product from the ground up. Despite the lack of suitable, prevalent machine learning based approaches, we tackle cold start, generalization, differentiation and algorithmic bias. We detail the efficacy of heuristics, statistics, machine learning, and reinforcement learning approaches to solve these challenges, particularly for systems that are often unexplored by current literature.

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 17 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. Overall, we hope this paper could inspire future research in integrating tools with foundation models.

Knowledge Graphs (KGs) are valuable tools for representing relationships between entities in a structured format. Traditionally, these knowledge bases are queried to extract specific information. However, question-answering (QA) over such KGs poses a challenge due to the intrinsic complexity of natural language compared to the structured format and the size of these graphs. Despite these challenges, the structured nature of KGs can provide a solid foundation for grounding the outputs of Large Language Models (LLMs), offering organizations increased reliability and control. Recent advancements in LLMs have introduced reasoning methods at inference time to improve their performance and maximize their capabilities. In this work, we propose integrating these reasoning strategies with KGs to anchor every step or "thought" of the reasoning chains in KG data. Specifically, we evaluate both agentic and automated search methods across several reasoning strategies, including Chain-of-Thought (CoT), Tree-of-Thought (ToT), and Graph-of-Thought (GoT), using GRBench, a benchmark dataset for graph reasoning with domain-specific graphs. Our experiments demonstrate that this approach consistently outperforms baseline models, highlighting the benefits of grounding LLM reasoning processes in structured KG data.

Recent advancements in prompt engineering strategies, such as Chain-of-Thought (CoT) and Self-Discover, have demonstrated significant potential in improving the reasoning abilities of Large Language Models (LLMs). However, these state-of-the-art (SOTA) prompting strategies rely on single or fixed set of static seed reasoning modules like "think step by step" or "break down this problem" intended to simulate human approach to problem-solving. This constraint limits the flexibility of models in tackling diverse problems effectively. In this paper, we introduce Auto-Evolve, a novel framework that enables LLMs to self-create dynamic reasoning modules and downstream action plan, resulting in significant improvements over current SOTA methods. We evaluate Auto-Evolve on the challenging BigBench-Hard (BBH) dataset with Claude 2.0, Claude 3 Sonnet, Mistral Large, and GPT 4, where it consistently outperforms the SOTA prompt strategies. Auto-Evolve outperforms CoT by up to 10.4% and on an average by 7% across these four models. Our framework introduces two innovations: a) Auto-Evolve dynamically generates reasoning modules for each task while aligning with human reasoning paradigm, thus eliminating the need for predefined templates. b) We introduce an iterative refinement component, that incrementally refines instruction guidance for LLMs and helps boost performance by average 2.8% compared to doing it in a single step.

LLMs are typically trained to answer user questions or follow instructions similarly to how human experts respond. However, in the standard alignment framework they lack the basic ability of explicit thinking before answering. Thinking is important for complex questions that require reasoning and planning -- but can be applied to any task. We propose a training method for equipping existing LLMs with such thinking abilities for general instruction following without use of additional human data. We achieve this by an iterative search and optimization procedure that explores the space of possible thought generations, allowing the model to learn how to think without direct supervision. For each instruction, the thought candidates are scored using a judge model to evaluate their responses only, and then optimized via preference optimization. We show that this procedure leads to superior performance on AlpacaEval and Arena-Hard, and shows gains from thinking on non-reasoning categories such as marketing, health and general knowledge, in addition to more traditional reasoning & problem-solving tasks.

In-context Learning (ICL) enables large language models (LLMs) to tackle downstream tasks through sophisticated prompting and high-quality demonstrations. However, this traditional ICL paradigm shows limitations when facing complex mathematical reasoning tasks, primarily due to its heavy dependence on example quality and the necessity for human intervention in challenging scenarios. To address these limitations, this paper presents HiAR-ICL, a High-level Automated Reasoning paradigm in ICL that shifts focus from specific examples to abstract thinking patterns, extending the conventional concept of context in ICL. HiAR-ICL introduces five atomic reasoning actions as fundamental components for constructing chain-structured patterns. Using Monte Carlo Tree Search, we explore reasoning paths and construct thought cards to guide subsequent inference. We then develop a cognitive complexity framework that dynamically matches problems with appropriate thought cards. Experimental results demonstrate HiAR-ICL's effectiveness, achieving state-of-the-art accuracy (79.6%) on the MATH benchmark with Qwen2.5-7B-Instruct, surpassing GPT-4o (76.6%) and Claude 3.5 (71.1%).

Deep iterative chain-of-thought (CoT) reasoning enables LLMs to tackle complex tasks by progressively activating relevant pre-trained knowledge. However, it faces challenges in ensuring continual improvement and determining a stopping criterion. In this paper, we investigate whether the relevant knowledge that contributes directly to solving the given question can be activated from the initial reasoning path, thus circumventing the need for iterative refinement. Our experiments reveal that increasing the diversity of initial reasoning paths can achieve comparable or superior performance, a concept we term breadth reasoning. However, existing breadth reasoning approaches, such as self-consistency, offer limited diversity. To address this limitation, we propose a simple yet effective method that enhances reasoning breadth by integrating contextual exploration with reduced sampling randomness. Extensive experiments demonstrate that our approach significantly outperforms deep iterative reasoning. Our code is provided in https://github.com/zongqianwu/breadth.

When prompted with a few examples and intermediate steps, large language models (LLMs) have demonstrated impressive performance in various reasoning tasks. However, prompting methods that rely on implicit knowledge in an LLM often generate incorrect answers when the implicit knowledge is wrong or inconsistent with the task. To tackle this problem, we present Hypotheses-to-Theories (HtT), a framework that learns a rule library for reasoning with LLMs. HtT contains two stages, an induction stage and a deduction stage. In the induction stage, an LLM is first asked to generate and verify rules over a set of training examples. Rules that appear and lead to correct answers sufficiently often are collected to form a rule library. In the deduction stage, the LLM is then prompted to employ the learned rule library to perform reasoning to answer test questions. Experiments on relational reasoning, numerical reasoning and concept learning problems show that HtT improves existing prompting methods, with an absolute gain of 10-30% in accuracy. The learned rules are also transferable to different models and to different forms of the same problem.

Chain-of-Thought (CoT) has been a widely adopted prompting method, eliciting impressive reasoning abilities of Large Language Models (LLMs). Inspired by the sequential thought structure of CoT, a number of Chain-of-X (CoX) methods have been developed to address various challenges across diverse domains and tasks involving LLMs. In this paper, we provide a comprehensive survey of Chain-of-X methods for LLMs in different contexts. Specifically, we categorize them by taxonomies of nodes, i.e., the X in CoX, and application tasks. We also discuss the findings and implications of existing CoX methods, as well as potential future directions. Our survey aims to serve as a detailed and up-to-date resource for researchers seeking to apply the idea of CoT to broader scenarios.

Large language models (LLMs) have demonstrated enhanced performance through the Thinking then Responding paradigm, where models generate internal thoughts before final responses (aka, System 2 thinking). However, existing research lacks a systematic understanding of the mechanisms underlying how thinking patterns affect performance across model sizes. In this work, we conduct a comprehensive analysis of the impact of various thinking types on model performance and introduce ThinkPatterns-21k, a curated dataset comprising 21k instruction-response pairs (QA) collected from existing instruction-following datasets with five thinking types. For each pair, we augment it with five distinct internal thinking patterns: one unstructured thinking (monologue) and four structured variants (decomposition, self-ask, self-debate and self-critic), while maintaining the same instruction and response. Through extensive evaluation across different model sizes (3B-32B parameters), we have two key findings: (1) smaller models (<30B parameters) can benefit from most of structured thinking patterns, while larger models (32B) with structured thinking like decomposition would degrade performance and (2) unstructured monologue demonstrates broad effectiveness across different model sizes. Finally, we released all of our datasets, checkpoints, training logs of diverse thinking patterns to reproducibility, aiming to facilitate further research in this direction.

Step-level reward models (SRMs) can significantly enhance mathematical reasoning performance through process supervision or step-level preference alignment based on reinforcement learning. The performance of SRMs is pivotal, as they serve as critical guidelines, ensuring that each step in the reasoning process is aligned with desired outcomes. Recently, AlphaZero-like methods, where Monte Carlo Tree Search (MCTS) is employed for automatic step-level preference annotation, have proven particularly effective. However, the precise mechanisms behind the success of SRMs remain largely unexplored. To address this gap, this study delves into the counterintuitive aspects of SRMs, particularly focusing on MCTS-based approaches. Our findings reveal that the removal of natural language descriptions of thought processes has minimal impact on the efficacy of SRMs. Furthermore, we demonstrate that SRMs are adept at assessing the complex logical coherence present in mathematical language while having difficulty in natural language. These insights provide a nuanced understanding of the core elements that drive effective step-level reward modeling in mathematical reasoning. By shedding light on these mechanisms, this study offers valuable guidance for developing more efficient and streamlined SRMs, which can be achieved by focusing on the crucial parts of mathematical reasoning.

We introduce S1-Bench, a novel benchmark designed to evaluate Large Reasoning Models' (LRMs) performance on simple tasks that favor intuitive system 1 thinking rather than deliberative system 2 reasoning. While LRMs have achieved significant breakthroughs in complex reasoning tasks through explicit chains of thought, their reliance on deep analytical thinking may limit their system 1 thinking capabilities. Moreover, a lack of benchmark currently exists to evaluate LRMs' performance in tasks that require such capabilities. To fill this gap, S1-Bench presents a set of simple, diverse, and naturally clear questions across multiple domains and languages, specifically designed to assess LRMs' performance in such tasks. Our comprehensive evaluation of 22 LRMs reveals significant lower efficiency tendencies, with outputs averaging 15.5 times longer than those of traditional small LLMs. Additionally, LRMs often identify correct answers early but continue unnecessary deliberation, with some models even producing numerous errors. These findings highlight the rigid reasoning patterns of current LRMs and underscore the substantial development needed to achieve balanced dual-system thinking capabilities that can adapt appropriately to task complexity.

Large language models (LLMs) have demonstrated remarkable reasoning capabilities through test-time scaling approaches, particularly when fine-tuned with chain-of-thought (CoT) data distilled from more powerful large reasoning models (LRMs). However, these reasoning chains often contain verbose elements that mirror human problem-solving, categorized as progressive reasoning (the essential solution development path) and functional elements (verification processes, alternative solution approaches, and error corrections). While progressive reasoning is crucial, the functional elements significantly increase computational demands during test-time inference. We introduce PIR (Perplexity-based Importance Refinement), a principled framework that quantitatively evaluates the importance of each reasoning step based on its impact on answer prediction confidence. PIR systematically identifies and selectively prunes only low-importance functional steps while preserving progressive reasoning components, creating optimized training data that maintains the integrity of the core solution path while reducing verbosity. Models fine-tuned on PIR-optimized data exhibit superior test-time scaling properties, generating more concise reasoning chains while achieving improved accuracy (+0.9\% to +6.6\%) with significantly reduced token usage (-3\% to -41\%) across challenging reasoning benchmarks (AIME, AMC, and GPQA Diamond). Our approach demonstrates strong generalizability across different model sizes, data sources, and token budgets, offering a practical solution for deploying reasoning-capable LLMs in scenarios where efficient test-time scaling, response time, and computational efficiency are valuable constraints.

Using Large Language Models for complex mathematical reasoning is difficult, primarily due to the complexity of multi-step reasoning. The main challenges of this process include (1) selecting critical intermediate results to advance the procedure, and (2) limited exploration of potential solutions. To address these issues, we introduce a novel algorithm, namely Stepwise Self-Consistent Chain-of-Thought (SSC-CoT). SSC-CoT employs a strategy of selecting intermediate steps based on the intersection of various reasoning chains. Additionally, SSC-CoT enables the model to discover critical intermediate steps by querying a knowledge graph comprising relevant domain knowledge. To validate SSC-CoT, we present a new dataset, TriMaster100, tailored for complex trigonometry problems. This dataset contains 100 questions, with each solution broken down into scored intermediate steps, facilitating a comprehensive evaluation of the mathematical reasoning process. On TriMaster100, SSC-CoT triples the effectiveness of the state-of-the-art methods. Furthermore, we benchmark SSC-CoT on the widely recognized complex mathematical question dataset, MATH level 5, and it surpasses the second-best method by 7.2% in accuracy. Code and the TriMaster100 dataset can be found at: https://github.com/zhao-zilong/ssc-cot.

Large Language Models (LLM) based agents have shown promise in autonomously completing tasks across various domains, e.g., robotics, games, and web navigation. However, these agents typically require elaborate design and expert prompts to solve tasks in specific domains, which limits their adaptability. We introduce AutoManual, a framework enabling LLM agents to autonomously build their understanding through interaction and adapt to new environments. AutoManual categorizes environmental knowledge into diverse rules and optimizes them in an online fashion by two agents: 1) The Planner codes actionable plans based on current rules for interacting with the environment. 2) The Builder updates the rules through a well-structured rule system that facilitates online rule management and essential detail retention. To mitigate hallucinations in managing rules, we introduce a *case-conditioned prompting* strategy for the Builder. Finally, the Formulator agent compiles these rules into a comprehensive manual. The self-generated manual can not only improve the adaptability but also guide the planning of smaller LLMs while being human-readable. Given only one simple demonstration, AutoManual significantly improves task success rates, achieving 97.4\% with GPT-4-turbo and 86.2\% with GPT-3.5-turbo on ALFWorld benchmark tasks. The code is available at https://github.com/minghchen/automanual.

We propose prioritized unit propagation with periodic resetting, which is a simple but surprisingly effective algorithm for solving random SAT instances that are meant to be hard. In particular, an evaluation on the Random Track of the 2017 and 2018 SAT competitions shows that a basic prototype of this simple idea already ranks at second place in both years. We share this observation in the hope that it helps the SAT community better understand the hardness of random instances used in competitions and inspire other interesting ideas on SAT solving.

Current literature, aiming to surpass the "Chain-of-Thought" approach, often resorts to an external modus operandi involving halting, modifying, and then resuming the generation process to boost Large Language Models' (LLMs) reasoning capacities. This mode escalates the number of query requests, leading to increased costs, memory, and computational overheads. Addressing this, we propose the Algorithm of Thoughts -- a novel strategy that propels LLMs through algorithmic reasoning pathways, pioneering a new mode of in-context learning. By employing algorithmic examples, we exploit the innate recurrence dynamics of LLMs, expanding their idea exploration with merely one or a few queries. Our technique outperforms earlier single-query methods and stands on par with a recent multi-query strategy that employs an extensive tree search algorithm. Intriguingly, our results suggest that instructing an LLM using an algorithm can lead to performance surpassing that of the algorithm itself, hinting at LLM's inherent ability to weave its intuition into optimized searches. We probe into the underpinnings of our method's efficacy and its nuances in application.

Large Language Models have excelled in remarkable reasoning capabilities with advanced prompting techniques, but they fall short on tasks that require exploration, strategic foresight, and sequential decision-making. Recent works propose to utilize external programs to define search logic, such that LLMs can perform passive tree search to solve more challenging reasoning tasks. Though impressive results have been achieved, there are several fundamental limitations of these approaches. First, passive tree searches are not efficient as they usually require multiple rounds of LLM API calls to solve one single problem. Moreover, passive search methods are not flexible since they need task-specific program designs. Then a natural question arises: can we maintain the tree-search capability of LLMs without the aid of external programs, and can still generate responses that clearly demonstrate the process of a tree-structure search? To this end, we propose a new concept called autonomous tree-search ability of LLM, which can automatically generate a response containing search trajectories for the correct answer. Concretely, we perform search trajectories using capable LLM API via a fixed system prompt, allowing them to perform autonomous tree-search (ATS) right out of the box. Experiments on 4 puzzle games demonstrate our method can achieve huge improvements. The ATS-BFS method outperforms the Chain of Thought approach by achieving an average accuracy improvement of 33%. Compared to Tree of Thoughts, it requires 65.6% or 47.7% less GPT-api cost to attain a comparable level of accuracy. Moreover, we have collected data using the ATS prompt method and fine-tuned LLaMA. This approach yield a greater improvement compared to the ones fine-tuned on CoT data. Specifically, it outperforms CoT-tuned LLaMAs by an average of 40.6% and 38.5% for LLaMA2-7B and LLaMA2-13B, respectively.

Reasoning ability is one of the most crucial capabilities of a foundation model, signifying its capacity to address complex reasoning tasks. Chain-of-Thought (CoT) technique is widely regarded as one of the effective methods for enhancing the reasoning ability of foundation models and has garnered significant attention. However, the reasoning process of CoT is linear, step-by-step, similar to personal logical reasoning, suitable for solving general and slightly complicated problems. On the contrary, the thinking pattern of an expert owns two prominent characteristics that cannot be handled appropriately in CoT, i.e., high-order multi-hop reasoning and multimodal comparative judgement. Therefore, the core motivation of this paper is transcending CoT to construct a reasoning paradigm that can think like an expert. The hyperedge of a hypergraph could connect various vertices, making it naturally suitable for modelling high-order relationships. Inspired by this, this paper innovatively proposes a multimodal Hypergraph-of-Thought (HoT) reasoning paradigm, which enables the foundation models to possess the expert-level ability of high-order multi-hop reasoning and multimodal comparative judgement. Specifically, a textual hypergraph-of-thought is constructed utilizing triple as the primary thought to model higher-order relationships, and a hyperedge-of-thought is generated through multi-hop walking paths to achieve multi-hop inference. Furthermore, we devise a visual hypergraph-of-thought to interact with the textual hypergraph-of-thought via Cross-modal Co-Attention Graph Learning for multimodal comparative verification. Experimentations on the ScienceQA benchmark demonstrate the proposed HoT-based T5 outperforms CoT-based GPT3.5 and chatGPT, which is on par with CoT-based GPT4 with a lower model size.

Bayesian Optimization (BO) is typically used to optimize an unknown function f that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorithms are efficient at optimizing low-dimensional functions, scaling them to high-dimensional spaces remains an open problem, often tackled by assuming an additive structure for f. By doing so, BO algorithms typically introduce additional restrictive assumptions on the additive structure that reduce their applicability domain. This paper contains two main contributions: (i) we relax the restrictive assumptions on the additive structure of f without weakening the maximization guarantees of the acquisition function, and (ii) we address the over-exploration problem for decentralized BO algorithms. To these ends, we propose DuMBO, an asymptotically optimal decentralized BO algorithm that achieves very competitive performance against state-of-the-art BO algorithms, especially when the additive structure of f comprises high-dimensional factors.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

In nature, the behaviors of many complex systems can be described by parsimonious math equations. Automatically distilling these equations from limited data is cast as a symbolic regression process which hitherto remains a grand challenge. Keen efforts in recent years have been placed on tackling this issue and demonstrated success in symbolic regression. However, there still exist bottlenecks that current methods struggle to break when the discrete search space tends toward infinity and especially when the underlying math formula is intricate. To this end, we propose a novel Reinforcement Symbolic Regression Machine (RSRM) that masters the capability of uncovering complex math equations from only scarce data. The RSRM model is composed of three key modules: (1) a Monte Carlo tree search (MCTS) agent that explores optimal math expression trees consisting of pre-defined math operators and variables, (2) a Double Q-learning block that helps reduce the feasible search space of MCTS via properly understanding the distribution of reward, and (3) a modulated sub-tree discovery block that heuristically learns and defines new math operators to improve representation ability of math expression trees. Biding of these modules yields the state-of-the-art performance of RSRM in symbolic regression as demonstrated by multiple sets of benchmark examples. The RSRM model shows clear superiority over several representative baseline models.

As a seemingly self-explanatory task, problem-solving has been a significant component of science and engineering. However, a general yet concrete formulation of problem-solving itself is missing. With the recent development of AI-based problem-solving agents, the demand for process-level verifiability is rapidly increasing yet underexplored. To fill these gaps, we present a principled formulation of problem-solving as a deterministic Markov decision process; a novel framework, FPS (Formal Problem-Solving), which utilizes existing FTP (formal theorem proving) environments to perform process-verified problem-solving; and D-FPS (Deductive FPS), decoupling solving and answer verification for better human-alignment. The expressiveness, soundness and completeness of the frameworks are proven. We construct three benchmarks on problem-solving: FormalMath500, a formalization of a subset of the MATH500 benchmark; MiniF2F-Solving and PutnamBench-Solving, adaptations of FTP benchmarks MiniF2F and PutnamBench. For faithful, interpretable, and human-aligned evaluation, we propose RPE (Restricted Propositional Equivalence), a symbolic approach to determine the correctness of answers by formal verification. We evaluate four prevalent FTP models and two prompting methods as baselines, solving at most 23.77% of FormalMath500, 27.47% of MiniF2F-Solving, and 0.31% of PutnamBench-Solving.

While large language models perform well on a range of complex tasks (e.g., text generation, question answering, summarization), robust multi-step planning and reasoning remains a considerable challenge for them. In this paper we show that search-based planning can significantly improve LLMs' playing strength across several board games (Chess, Fischer Random / Chess960, Connect Four, and Hex). We introduce, compare and contrast two major approaches: In external search, the model guides Monte Carlo Tree Search (MCTS) rollouts and evaluations without calls to an external engine, and in internal search, the model directly generates in-context a linearized tree of potential futures and a resulting final choice. Both build on a language model pre-trained on relevant domain knowledge, capturing the transition and value functions across these games. We find that our pre-training method minimizes hallucinations, as our model is highly accurate regarding state prediction and legal moves. Additionally, both internal and external search indeed improve win-rates against state-of-the-art bots, even reaching Grandmaster-level performance in chess while operating on a similar move count search budget per decision as human Grandmasters. The way we combine search with domain knowledge is not specific to board games, suggesting direct extensions into more general language model inference and training techniques.

Mathematical reasoning has proven to be a critical yet challenging task for large language models (LLMs), as they often struggle with complex multi-step problems. To address these limitations, we introduce the Monte Carlo Nash Equilibrium Self-Refine Tree (MC-NEST) algorithm, an enhancement of the Monte Carlo Tree Self-Refine (MCTSr) approach. By integrating Nash Equilibrium strategies with LLM-based self-refinement and self-evaluation processes, MC-NEST aims to improve decision-making for complex mathematical reasoning tasks. This method ensures balanced exploration and exploitation of potential solutions, leveraging Upper Confidence Bound (UCT) scores and various selection policies. Through iterative critique and refinement, MC-NEST enhances the reasoning capabilities of LLMs, particularly for problems requiring strategic decision-making. Comparative analysis reveals that GPT-4o, equipped with MC-NEST using an Importance Sampling Policy, achieved superior accuracy in domains such as Number Theory and Geometry. These results suggest that both LLMs GPT-4o and Phi-3-mini can benefit from MC-NEST, with iterative self-refinement proving especially effective in expanding the reasoning capacity and problem-solving performance of LLMs. We evaluate the effectiveness of MC-NEST on challenging Olympiad-level benchmarks, demonstrating its potential to significantly boost complex mathematical reasoning performance in LLMs.

Recent advancements in large language models (LLMs) have demonstrated their impressive abilities in various reasoning and decision-making tasks. However, the quality and coherence of the reasoning process can still benefit from enhanced introspection and self-reflection. In this paper, we introduce Multiplex CoT (Chain of Thought), a method that enables LLMs to simulate a form of self-review while reasoning, by initiating double Chain of Thought (CoT) thinking. Multiplex CoT leverages the power of iterative reasoning, where the model generates an initial chain of thought and subsequently critiques and refines this reasoning with a second round of thought generation. This recursive approach allows for more coherent, logical, and robust answers, improving the overall decision-making process. We demonstrate how this method can be effectively implemented using simple prompt engineering in existing LLM architectures, achieving an effect similar to that of the Learning-Refinement Model (LRM) without the need for additional training. Additionally, we present a practical guide for implementing the method in Google Colab, enabling easy integration into real-world applications.