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Dec 17

Convergent Graph Solvers

We propose the convergent graph solver (CGS), a deep learning method that learns iterative mappings to predict the properties of a graph system at its stationary state (fixed point) with guaranteed convergence. CGS systematically computes the fixed points of a target graph system and decodes them to estimate the stationary properties of the system without the prior knowledge of existing solvers or intermediate solutions. The forward propagation of CGS proceeds in three steps: (1) constructing the input dependent linear contracting iterative maps, (2) computing the fixed-points of the linear maps, and (3) decoding the fixed-points to estimate the properties. The contractivity of the constructed linear maps guarantees the existence and uniqueness of the fixed points following the Banach fixed point theorem. To train CGS efficiently, we also derive a tractable analytical expression for its gradient by leveraging the implicit function theorem. We evaluate the performance of CGS by applying it to various network-analytic and graph benchmark problems. The results indicate that CGS has competitive capabilities for predicting the stationary properties of graph systems, irrespective of whether the target systems are linear or non-linear. CGS also shows high performance for graph classification problems where the existence or the meaning of a fixed point is hard to be clearly defined, which highlights the potential of CGS as a general graph neural network architecture.

  • 3 authors
·
Jun 3, 2021

Beyond Theorem Proving: Formulation, Framework and Benchmark for Formal Problem-Solving

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.

An End-to-End Reinforcement Learning Approach for Job-Shop Scheduling Problems Based on Constraint Programming

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

  • 3 authors
·
Jun 9, 2023

Constrained Optimization via Exact Augmented Lagrangian and Randomized Iterative Sketching

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

  • 4 authors
·
May 28, 2023

Learning to Relax: Setting Solver Parameters Across a Sequence of Linear System Instances

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.

  • 4 authors
·
Oct 3, 2023

STP: Self-play LLM Theorem Provers with Iterative Conjecturing and Proving

A fundamental challenge in formal theorem proving by LLMs is the lack of high-quality training data. Although reinforcement learning or expert iteration partially mitigates this issue by alternating between LLM generating proofs and finetuning them on correctly generated ones, performance quickly plateaus due to the scarcity of correct proofs (sparse rewards). To keep improving the models with limited data, we draw inspiration from mathematicians, who continuously develop new results, partly by proposing novel conjectures or exercises (which are often variants of known results) and attempting to solve them. We design the Self-play Theorem Prover (STP) that simultaneously takes on two roles, conjecturer and prover, each providing training signals to the other. The conjecturer is trained iteratively on previously generated conjectures that are barely provable by the current prover, which incentivizes it to generate increasingly challenging conjectures over time. The prover attempts to prove the conjectures with standard expert iteration. We evaluate STP with both Lean and Isabelle formal versifiers. With 19.8 billion tokens generated during the training in Lean, STP proves 26.3% of the statements in the LeanWorkbook dataset, doubling the previous best result of 13.2% achieved through expert iteration. The final model achieves state-of-the-art performance among whole-proof generation methods on miniF2F-test (61.7%, pass@3200), Proofnet-test (23.1%, pass@3200) and PutnamBench (8/644, pass@3200).

  • 2 authors
·
Jan 31

Model-Based and Sample-Efficient AI-Assisted Math Discovery in Sphere Packing

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension n=8, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions 4-16, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

Lyra: Orchestrating Dual Correction in Automated Theorem Proving

Large Language Models (LLMs) present an intriguing avenue for exploration in the field of formal theorem proving. Nevertheless, their full potential, particularly concerning the mitigation of hallucinations and refinement through prover error messages, remains an area that has yet to be thoroughly investigated. To enhance the effectiveness of LLMs in the field, we introduce the Lyra, a new framework that employs two distinct correction mechanisms: Tool Correction (TC) and Conjecture Correction (CC). To implement Tool Correction in the post-processing of formal proofs, we leverage prior knowledge to utilize predefined prover tools (e.g., Sledgehammer) for guiding the replacement of incorrect tools. Tool Correction significantly contributes to mitigating hallucinations, thereby improving the overall accuracy of the proof. In addition, we introduce Conjecture Correction, an error feedback mechanism designed to interact with prover to refine formal proof conjectures with prover error messages. Compared to the previous refinement framework, the proposed Conjecture Correction refines generation with instruction but does not collect paired (generation, error & refinement) prompts. Our method has achieved state-of-the-art (SOTA) performance on both miniF2F validation (48.0% -> 55.3%) and test (45.5% -> 51.2%). We also present 3 IMO problems solved by Lyra. We believe Tool Correction (post-process for hallucination mitigation) and Conjecture Correction (subgoal adjustment from interaction with environment) could provide a promising avenue for future research in this field.

  • 9 authors
·
Sep 27, 2023

Small Language Models Fine-tuned to Coordinate Larger Language Models improve Complex Reasoning

Large Language Models (LLMs) prompted to generate chain-of-thought (CoT) exhibit impressive reasoning capabilities. Recent attempts at prompt decomposition toward solving complex, multi-step reasoning problems depend on the ability of the LLM to simultaneously decompose and solve the problem. A significant disadvantage is that foundational LLMs are typically not available for fine-tuning, making adaptation computationally prohibitive. We believe (and demonstrate) that problem decomposition and solution generation are distinct capabilites, better addressed in separate modules, than by one monolithic LLM. We introduce DaSLaM, which uses a decomposition generator to decompose complex problems into subproblems that require fewer reasoning steps. These subproblems are answered by a solver. We use a relatively small (13B parameters) LM as the decomposition generator, which we train using policy gradient optimization to interact with a solver LM (regarded as black-box) and guide it through subproblems, thereby rendering our method solver-agnostic. Evaluation on multiple different reasoning datasets reveal that with our method, a 175 billion parameter LM (text-davinci-003) can produce competitive or even better performance, compared to its orders-of-magnitude larger successor, GPT-4. Additionally, we show that DaSLaM is not limited by the solver's capabilities as a function of scale; e.g., solver LMs with diverse sizes give significant performance improvement with our solver-agnostic decomposition technique. Exhaustive ablation studies evince the superiority of our modular finetuning technique over exorbitantly large decomposer LLMs, based on prompting alone.

  • 5 authors
·
Oct 21, 2023

Instructing Large Language Models to Identify and Ignore Irrelevant Conditions

Math word problem (MWP) solving requires generating a reasoning path based on a given problem description that often contains irrelevant conditions. Existing chain-of-thought (CoT) prompting methods elicited multi-step reasoning abilities of large language models (LLMs) to solve MWPs. However, they were seriously confused by the irrelevant conditions, resulting in low accuracy. In this paper, we propose a novel approach named I^3C that instructs LLMs to identify and ignore irrelevant conditions. It identifies a set of irrelevant condition candidates that have a weak semantic relevance with the question. Then it prompts LLMs to verify the irrelevant conditions. Lastly it instructs the LLMs with the verification on relevant and irrelevant conditions to avoid confusion and improve reasoning paths. Moreover, we propose to select (problem, reasoning paths) pairs as demonstrations to enhance I^3C with few-shot reasoning. We develop I^3C-Select that selects the most confusing problems based on the semantic relevance measurement. We conduct extensive experiments on eight MWP datasets. I^3C can be combined with any CoT prompting methods to improve the performance of solving MWPs. Notably, with GPT-3.5-Turbo and I^3C-Select, we achieve an accuracy of 96.0 and 94.1 on GSM-IC2-1K and GSM-ICM-1K, respectively, significantly outperforming the state-of-the-art few-shot prompting method Complex-CoT by +11.7 and +11.1. Our implementation is made publicly available at https://wzy6642.github.io/I3C.github.io/.

  • 3 authors
·
Mar 19, 2024

DART-Math: Difficulty-Aware Rejection Tuning for Mathematical Problem-Solving

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

  • 5 authors
·
Jun 18, 2024 2

OptiBench Meets ReSocratic: Measure and Improve LLMs for Optimization Modeling

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

  • 10 authors
·
Jul 13, 2024

FlashRNN: Optimizing Traditional RNNs on Modern Hardware

While Transformers and other sequence-parallelizable neural network architectures seem like the current state of the art in sequence modeling, they specifically lack state-tracking capabilities. These are important for time-series tasks and logical reasoning. Traditional RNNs like LSTMs and GRUs, as well as modern variants like sLSTM do have these capabilities at the cost of strictly sequential processing. While this is often seen as a strong limitation, we show how fast these networks can get with our hardware-optimization FlashRNN in Triton and CUDA, optimizing kernels to the register level on modern GPUs. We extend traditional RNNs with a parallelization variant that processes multiple RNNs of smaller hidden state in parallel, similar to the head-wise processing in Transformers. To enable flexibility on different GPU variants, we introduce a new optimization framework for hardware-internal cache sizes, memory and compute handling. It models the hardware in a setting using polyhedral-like constraints, including the notion of divisibility. This speeds up the solution process in our ConstrINT library for general integer constraint satisfaction problems (integer CSPs). We show that our kernels can achieve 50x speed-ups over a vanilla PyTorch implementation and allow 40x larger hidden sizes compared to our Triton implementation. Our open-source kernels and the optimization library are released here to boost research in the direction of state-tracking enabled RNNs and sequence modeling: https://github.com/NX-AI/flashrnn

  • 3 authors
·
Dec 10, 2024

Feedback Friction: LLMs Struggle to Fully Incorporate External Feedback

Recent studies have shown LLMs possess some ability to improve their responses when given external feedback. However, it remains unclear how effectively and thoroughly these models can incorporate extrinsic feedback. In an ideal scenario, if LLMs receive near-perfect and complete feedback, we would expect them to fully integrate the feedback and change their incorrect answers to correct ones. In this paper, we systematically investigate LLMs' ability to incorporate feedback by designing a controlled experimental environment. For each problem, a solver model attempts a solution, then a feedback generator with access to near-complete ground-truth answers produces targeted feedback, after which the solver tries again. We evaluate this pipeline across a diverse range of tasks, including math reasoning, knowledge reasoning, scientific reasoning, and general multi-domain evaluations with state-of-the-art language models including Claude 3.7 (with and without extended thinking). Surprisingly, even under these near-ideal conditions, solver models consistently show resistance to feedback, a limitation that we term FEEDBACK FRICTION. To mitigate this limitation, we experiment with sampling-based strategies like progressive temperature increases and explicit rejection of previously attempted incorrect answers, which yield improvements but still fail to help models achieve target performance. We also perform a rigorous exploration of potential causes of FEEDBACK FRICTION, ruling out factors such as model overconfidence and data familiarity. We hope that highlighting this issue in LLMs and ruling out several apparent causes will help future research in self-improvement.

  • 5 authors
·
Jun 13 3

Lagrangian PINNs: A causality-conforming solution to failure modes of physics-informed neural networks

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

  • 3 authors
·
May 5, 2022

Large Language Models Can Solve Real-World Planning Rigorously with Formal Verification Tools

Large Language Models (LLMs) struggle to directly generate correct plans for complex multi-constraint planning problems, even with self-verification and self-critique. For example, a U.S. domestic travel planning benchmark TravelPlanner was proposed in Xie et al. (2024), where the best LLM OpenAI o1-preview can only find viable travel plans with a 10% success rate given all needed information. In this work, we tackle this by proposing an LLM-based planning framework that formalizes and solves complex multi-constraint planning problems as constrained satisfiability problems, which are further consumed by sound and complete satisfiability solvers. We start with TravelPlanner as the primary use case and show that our framework achieves a success rate of 93.9% and is effective with diverse paraphrased prompts. More importantly, our framework has strong zero-shot generalizability, successfully handling unseen constraints in our newly created unseen international travel dataset and generalizing well to new fundamentally different domains. Moreover, when user input queries are infeasible, our framework can identify the unsatisfiable core, provide failure reasons, and offers personalized modification suggestions. We show that our framework can modify and solve for an average of 81.6% and 91.7% unsatisfiable queries from two datasets and prove with ablations that all key components of our framework are effective and necessary. Project page: https://sites.google.com/view/llm-rwplanning.

  • 4 authors
·
Apr 18, 2024

LEMMA: Learning from Errors for MatheMatical Advancement in LLMs

Large language models (LLMs) have demonstrated remarkable reasoning capability in solving mathematical problems. However, existing approaches primarily focus on improving the quality of correct training data, e.g., distilling high-quality correct solutions from advanced models, neglecting the value contained in error data, potentially hindering the model's reflective ability. Though some studies attempt to leverage error data, they often involve complex mechanisms, such as Monte Carlo Tree Search (MCTS) to explore error nodes. In this work, we propose to enhance LLMs' reasoning ability by Learning from Errors for Mathematical Advancement (LEMMA). LEMMA constructs data consisting of an incorrect solution with an erroneous step and a reflection connection to a correct solution for fine-tuning. Specifically, we systematically analyze the model-generated error types and introduce an error-type grounded mistake augmentation method to collect diverse and representative errors. Correct solutions are either from fixing the errors or generating a fresh start. Through a model-aware smooth reflection connection, the erroneous solution is transferred to the correct one. By fine-tuning on the constructed dataset, the model is able to self-correct errors autonomously within the generation process without relying on external critique models. Experimental results demonstrate that LEMMA achieves significant performance improvements over other strong baselines.

  • 10 authors
·
Mar 21 2

Programming Puzzles

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

  • 4 authors
·
Jun 10, 2021

Bridging Formal Language with Chain-of-Thought Reasoning to Geometry Problem Solving

Large vision language models exhibit notable limitations on Geometry Problem Solving (GPS) because of their unreliable diagram interpretation and pure natural-language reasoning. A recent line of work mitigates this by using symbolic solvers: the model directly generates a formal program that a geometry solver can execute. However, this direct program generation lacks intermediate reasoning, making the decision process opaque and prone to errors. In this work, we explore a new approach that integrates Chain-of-Thought (CoT) with formal language. The model interleaves natural language reasoning with incremental emission of solver-executable code, producing a hybrid reasoning trace in which critical derivations are expressed in formal language. To teach this behavior at scale, we combine (1) supervised fine-tuning on an 11K newly developed synthetic dataset with interleaved natural language reasoning and automatic formalization, and (2) solver-in-the-loop reinforcement learning that jointly optimizes both the CoT narrative and the resulting program through outcome-based rewards. Built on Qwen2.5-VL-7B, our new model, named GF-Reasoner, achieves up to 15% accuracy improvements on standard GPS benchmarks, surpassing both 7B-scale peers and the much larger model Qwen2.5-VL-72B. By exploiting high-order geometric knowledge and offloading symbolic computation to the solver, the generated reasoning traces are noticeably shorter and cleaner. Furthermore, we present a comprehensive analysis of method design choices (e.g., reasoning paradigms, data synthesis, training epochs, etc.), providing actionable insights for future research.

  • 6 authors
·
Aug 12

Meta Learning of Interface Conditions for Multi-Domain Physics-Informed Neural Networks

Physics-informed neural networks (PINNs) are emerging as popular mesh-free solvers for partial differential equations (PDEs). Recent extensions decompose the domain, applying different PINNs to solve the equation in each subdomain and aligning the solution at the interface of the subdomains. Hence, they can further alleviate the problem complexity, reduce the computational cost, and allow parallelization. However, the performance of the multi-domain PINNs is sensitive to the choice of the interface conditions for solution alignment. While quite a few conditions have been proposed, there is no suggestion about how to select the conditions according to specific problems. To address this gap, we propose META Learning of Interface Conditions (METALIC), a simple, efficient yet powerful approach to dynamically determine the optimal interface conditions for solving a family of parametric PDEs. Specifically, we develop two contextual multi-arm bandit models. The first one applies to the entire training procedure, and online updates a Gaussian process (GP) reward surrogate that given the PDE parameters and interface conditions predicts the solution error. The second one partitions the training into two stages, one is the stochastic phase and the other deterministic phase; we update a GP surrogate for each phase to enable different condition selections at the two stages so as to further bolster the flexibility and performance. We have shown the advantage of METALIC on four bench-mark PDE families.

  • 4 authors
·
Oct 23, 2022

A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

  • 3 authors
·
Oct 29

Solve-Detect-Verify: Inference-Time Scaling with Flexible Generative Verifier

Large Language Model (LLM) reasoning for complex tasks inherently involves a trade-off between solution accuracy and computational efficiency. The subsequent step of verification, while intended to improve performance, further complicates this landscape by introducing its own challenging trade-off: sophisticated Generative Reward Models (GenRMs) can be computationally prohibitive if naively integrated with LLMs at test-time, while simpler, faster methods may lack reliability. To overcome these challenges, we introduce FlexiVe, a novel generative verifier that flexibly balances computational resources between rapid, reliable fast thinking and meticulous slow thinking using a Flexible Allocation of Verification Budget strategy. We further propose the Solve-Detect-Verify pipeline, an efficient inference-time scaling framework that intelligently integrates FlexiVe, proactively identifying solution completion points to trigger targeted verification and provide focused solver feedback. Experiments show FlexiVe achieves superior accuracy in pinpointing errors within reasoning traces on ProcessBench. Furthermore, on challenging mathematical reasoning benchmarks (AIME 2024, AIME 2025, and CNMO), our full approach outperforms baselines like self-consistency in reasoning accuracy and inference efficiency. Our system offers a scalable and effective solution to enhance LLM reasoning at test time.

  • 6 authors
·
May 17 2

Enumerate-Conjecture-Prove: Formally Solving Answer-Construction Problems in Math Competitions

Mathematical reasoning lies at the heart of artificial intelligence, underpinning applications in education, program verification, and research-level mathematical discovery. Mathematical competitions, in particular, present two challenging problem types: theorem proving, which requires rigorous proofs of stated conclusions, and answer construction, which involves hypothesizing and formally verifying mathematical objects. Large Language Models (LLMs) effectively generate creative candidate answers but struggle with formal verification, while symbolic provers ensure rigor but cannot efficiently handle creative conjecture generation. We introduce the Enumerate-Conjecture-Prove (ECP) framework, a modular neuro-symbolic method integrating LLM-based enumeration and pattern-driven conjecturing with formal theorem proving. We present ConstructiveBench, a dataset of 3,431 answer-construction problems in various math competitions with verified Lean formalizations. On the ConstructiveBench dataset, ECP improves the accuracy of answer construction from a Chain-of-Thought (CoT) baseline of 14.54% to 45.06% with the gpt-4.1-mini model. Moreover, combined with ECP's constructed answers, the state-of-the-art DeepSeek-Prover-V2-7B model generates correct proofs for 858 of the 3,431 constructive problems in Lean, achieving 25.01% accuracy compared to 9.86% for symbolic-only baselines. Our code and dataset are publicly available at https://github.com/JackSun200312/ECP.

  • 5 authors
·
May 23

LogicSolver: Towards Interpretable Math Word Problem Solving with Logical Prompt-enhanced Learning

Recently, deep learning models have made great progress in MWP solving on answer accuracy. However, they are uninterpretable since they mainly rely on shallow heuristics to achieve high performance without understanding and reasoning the grounded math logic. To address this issue and make a step towards interpretable MWP solving, we first construct a high-quality MWP dataset named InterMWP which consists of 11,495 MWPs and annotates interpretable logical formulas based on algebraic knowledge as the grounded linguistic logic of each solution equation. Different from existing MWP datasets, our InterMWP benchmark asks for a solver to not only output the solution expressions but also predict the corresponding logical formulas. We further propose a novel approach with logical prompt and interpretation generation, called LogicSolver. For each MWP, our LogicSolver first retrieves some highly-correlated algebraic knowledge and then passes them to the backbone model as prompts to improve the semantic representations of MWPs. With these improved semantic representations, our LogicSolver generates corresponding solution expressions and interpretable knowledge formulas in accord with the generated solution expressions, simultaneously. Experimental results show that our LogicSolver has stronger logical formula-based interpretability than baselines while achieving higher answer accuracy with the help of logical prompts, simultaneously. The source code and dataset is available at https://github.com/yangzhch6/InterMWP.

  • 5 authors
·
May 17, 2022

RIMO: An Easy-to-Evaluate, Hard-to-Solve Olympiad Benchmark for Advanced Mathematical Reasoning

As large language models (LLMs) reach high scores on established mathematical benchmarks, such as GSM8K and MATH, the research community has turned to International Mathematical Olympiad (IMO) problems to push the evaluation frontier. However, existing Olympiad-level benchmarks suffer from practical constraints that introduce grading noise and potential bias, such as heterogeneous answer formats requiring model-based judges and a reliance on potentially flawed solutions. We introduce RIMO, a two-track benchmark designed to preserve peak Olympiad difficulty while eliminating this evaluation noise. The first track, RIMO-N, rewrites 335 IMO problems to admit a single, unique integer answer, allowing for deterministic correctness checking. The second track, RIMO-P, features 456 proof problems with expert-checked solutions, which are decomposed into a sequence of sub-problems to evaluate the step-by-step reasoning process via an automated grading system. Our benchmarking of ten frontier LLMs, including GPT-4o and Gemini 2.5 Flash, reveals that while these systems excel on older benchmarks, their performance drops sharply on RIMO. These results highlight a substantial gap between current LLM capabilities and actual Olympiad-level reasoning. By providing a challenging yet easy-to-evaluate suite, RIMO offers a high-resolution yardstick for future research, presenting a clear target for closing the profound reasoning gap our findings expose.

QuestBench: Can LLMs ask the right question to acquire information in reasoning tasks?

Recently, a large amount of work has focused on improving large language models' (LLMs') performance on reasoning benchmarks such as math and logic. However, past work has largely assumed that tasks are well-defined. In the real world, queries to LLMs are often underspecified, only solvable through acquiring missing information. We formalize this as a constraint satisfaction problem (CSP) with missing variable assignments. Using a special case of this formalism where only one necessary variable assignment is missing, we can rigorously evaluate an LLM's ability to identify the minimal necessary question to ask and quantify axes of difficulty levels for each problem. We present QuestBench, a set of underspecified reasoning tasks solvable by asking at most one question, which includes: (1) Logic-Q: Logical reasoning tasks with one missing proposition, (2) Planning-Q: PDDL planning problems with initial states that are partially-observed, (3) GSM-Q: Human-annotated grade school math problems with one missing variable assignment, and (4) GSME-Q: a version of GSM-Q where word problems are translated into equations by human annotators. The LLM is tasked with selecting the correct clarification question(s) from a list of options. While state-of-the-art models excel at GSM-Q and GSME-Q, their accuracy is only 40-50% on Logic-Q and Planning-Q. Analysis demonstrates that the ability to solve well-specified reasoning problems may not be sufficient for success on our benchmark: models have difficulty identifying the right question to ask, even when they can solve the fully specified version of the problem. Furthermore, in the Planning-Q domain, LLMs tend not to hedge, even when explicitly presented with the option to predict ``not sure.'' This highlights the need for deeper investigation into models' information acquisition capabilities.

  • 3 authors
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Mar 28

CP-Bench: Evaluating Large Language Models for Constraint Modelling

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

  • 3 authors
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Jun 6

GPT-4 Doesn't Know It's Wrong: An Analysis of Iterative Prompting for Reasoning Problems

There has been considerable divergence of opinion on the reasoning abilities of Large Language Models (LLMs). While the initial optimism that reasoning might emerge automatically with scale has been tempered thanks to a slew of counterexamples, a wide spread belief in their iterative self-critique capabilities persists. In this paper, we set out to systematically investigate the effectiveness of iterative prompting of LLMs in the context of Graph Coloring, a canonical NP-complete reasoning problem that is related to propositional satisfiability as well as practical problems like scheduling and allocation. We present a principled empirical study of the performance of GPT4 in solving graph coloring instances or verifying the correctness of candidate colorings. In iterative modes, we experiment with the model critiquing its own answers and an external correct reasoner verifying proposed solutions. In both cases, we analyze whether the content of the criticisms actually affects bottom line performance. The study seems to indicate that (i) LLMs are bad at solving graph coloring instances (ii) they are no better at verifying a solution--and thus are not effective in iterative modes with LLMs critiquing LLM-generated solutions (iii) the correctness and content of the criticisms--whether by LLMs or external solvers--seems largely irrelevant to the performance of iterative prompting. We show that the observed increase in effectiveness is largely due to the correct solution being fortuitously present in the top-k completions of the prompt (and being recognized as such by an external verifier). Our results thus call into question claims about the self-critiquing capabilities of state of the art LLMs.

  • 3 authors
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Oct 18, 2023

Plan-and-Solve Prompting: Improving Zero-Shot Chain-of-Thought Reasoning by Large Language Models

Large language models (LLMs) have recently been shown to deliver impressive performance in various NLP tasks. To tackle multi-step reasoning tasks, few-shot chain-of-thought (CoT) prompting includes a few manually crafted step-by-step reasoning demonstrations which enable LLMs to explicitly generate reasoning steps and improve their reasoning task accuracy. To eliminate the manual effort, Zero-shot-CoT concatenates the target problem statement with "Let's think step by step" as an input prompt to LLMs. Despite the success of Zero-shot-CoT, it still suffers from three pitfalls: calculation errors, missing-step errors, and semantic misunderstanding errors. To address the missing-step errors, we propose Plan-and-Solve (PS) Prompting. It consists of two components: first, devising a plan to divide the entire task into smaller subtasks, and then carrying out the subtasks according to the plan. To address the calculation errors and improve the quality of generated reasoning steps, we extend PS prompting with more detailed instructions and derive PS+ prompting. We evaluate our proposed prompting strategy on ten datasets across three reasoning problems. The experimental results over GPT-3 show that our proposed zero-shot prompting consistently outperforms Zero-shot-CoT across all datasets by a large margin, is comparable to or exceeds Zero-shot-Program-of-Thought Prompting, and has comparable performance with 8-shot CoT prompting on the math reasoning problem. The code can be found at https://github.com/AGI-Edgerunners/Plan-and-Solve-Prompting.

  • 7 authors
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May 6, 2023 1

BrokenMath: A Benchmark for Sycophancy in Theorem Proving with LLMs

Large language models (LLMs) have recently shown strong performance on mathematical benchmarks. At the same time, they are prone to hallucination and sycophancy, often providing convincing but flawed proofs for incorrect mathematical statements provided by users. This significantly limits the applicability of LLMs in theorem proving, as verification of these flawed proofs must be done manually by expert mathematicians. However, existing benchmarks that measure sycophancy in mathematics are limited: they focus solely on final-answer problems, rely on very simple and often contaminated datasets, and construct benchmark samples using synthetic modifications that create ill-posed questions rather than well-posed questions that are demonstrably false. To address these issues, we introduce BrokenMath, the first benchmark for evaluating sycophantic behavior in LLMs within the context of natural language theorem proving. BrokenMath is built from advanced 2025 competition problems, which are perturbed with an LLM to produce false statements and subsequently refined through expert review. Using an LLM-as-a-judge framework, we evaluate state-of-the-art LLMs and agentic systems and find that sycophancy is widespread, with the best model, GPT-5, producing sycophantic answers 29% of the time. We further investigate several mitigation strategies, including test-time interventions and supervised fine-tuning on curated sycophantic examples. These approaches substantially reduce, but do not eliminate, sycophantic behavior.

  • 3 authors
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Oct 6

Examining False Positives under Inference Scaling for Mathematical Reasoning

Recent advancements in language models have led to significant improvements in mathematical reasoning across various benchmarks. However, most of these benchmarks rely on automatic evaluation methods that only compare final answers using heuristics, without verifying the underlying reasoning steps. This limitation results in false positive solutions, where models may produce correct final answers but with flawed deduction paths. In this paper, we systematically examine the prevalence of false positive solutions in mathematical problem solving for language models. We analyze the characteristics and extent of this issue across different open-source models, datasets of varying difficulty levels, and decoding strategies. Specifically, we explore how false positives influence the inference time scaling behavior of language models. Our experimental results reveal that: (1) false positive solutions persist across different models, datasets, and decoding methods, (2) sampling-based inference time scaling methods do not alleviate the problem, and (3) the pass@N evaluation metric is more susceptible to false positives, suggesting a significantly lower scaling ceiling than what automatic evaluations indicate. Additionally, we analyze specific instances of false positives and discuss potential limitations in self-improvement techniques and synthetic data generation under such conditions. Our data and code are publicly available at https://github.com/Wloner0809/False-Positives-in-Math.

  • 5 authors
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Feb 10

Planning Anything with Rigor: General-Purpose Zero-Shot Planning with LLM-based Formalized Programming

While large language models (LLMs) have recently demonstrated strong potential in solving planning problems, there is a trade-off between flexibility and complexity. LLMs, as zero-shot planners themselves, are still not capable of directly generating valid plans for complex planning problems such as multi-constraint or long-horizon tasks. On the other hand, many frameworks aiming to solve complex planning problems often rely on task-specific preparatory efforts, such as task-specific in-context examples and pre-defined critics/verifiers, which limits their cross-task generalization capability. In this paper, we tackle these challenges by observing that the core of many planning problems lies in optimization problems: searching for the optimal solution (best plan) with goals subject to constraints (preconditions and effects of decisions). With LLMs' commonsense, reasoning, and programming capabilities, this opens up the possibilities of a universal LLM-based approach to planning problems. Inspired by this observation, we propose LLMFP, a general-purpose framework that leverages LLMs to capture key information from planning problems and formally formulate and solve them as optimization problems from scratch, with no task-specific examples needed. We apply LLMFP to 9 planning problems, ranging from multi-constraint decision making to multi-step planning problems, and demonstrate that LLMFP achieves on average 83.7% and 86.8% optimal rate across 9 tasks for GPT-4o and Claude 3.5 Sonnet, significantly outperforming the best baseline (direct planning with OpenAI o1-preview) with 37.6% and 40.7% improvements. We also validate components of LLMFP with ablation experiments and analyzed the underlying success and failure reasons.

  • 3 authors
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Oct 15, 2024

LLMOPT: Learning to Define and Solve General Optimization Problems from Scratch

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

  • 7 authors
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Oct 17, 2024

CHAMP: A Competition-level Dataset for Fine-Grained Analyses of LLMs' Mathematical Reasoning Capabilities

Recent large language models (LLMs) have shown indications of mathematical reasoning ability. However it has not been clear how they would fare on more challenging competition-level problems. And while self-generated verbalizations of intermediate reasoning steps (i.e., chain-of-thought prompting) have been shown to be helpful, whether LLMs can make use of helpful side information such as problem-specific hints has not been investigated before. In this paper, we propose a challenging benchmark dataset for enabling such analyses. The Concept and Hint-Annotated Math Problems (CHAMP) consists of high school math competition problems, annotated with concepts, or general math facts, and hints, or problem-specific tricks. These annotations allow us to explore the effects of additional information, such as relevant hints, misleading concepts, or related problems. This benchmark is difficult, with the best model only scoring 58.1% in standard settings. With concepts and hints, performance sometimes improves, indicating that some models can make use of such side information. We further annotate model-generated solutions for their correctness. Using this corpus, we find that models often arrive at the correct final answer through wrong reasoning steps. In addition, we test whether models are able to verify these solutions, and find that most models struggle. The dataset and code are available on the project website.

  • 3 authors
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Jan 12, 2024

HumanEval Pro and MBPP Pro: Evaluating Large Language Models on Self-invoking Code Generation

We introduce self-invoking code generation, a new task designed to evaluate the progressive reasoning and problem-solving capabilities of LLMs. In this task, models are presented with a base problem and a related, more complex problem. They must solve the base problem and then utilize its solution to address the more complex one. This work features three key contributions. First, we propose a general recipe for generating more challenging versions of existing benchmarks, resulting in three new benchmarks: HumanEval Pro, MBPP Pro, and BigCodeBench-Lite Pro, specifically designed to assess LLMs on self-invoking code generation. Second, from the analysis of experimental results over twenty LLMs on our benchmarks, we have two important observations: (i) Most LLMs excel in traditional code generation benchmarks like HumanEval and MBPP, but their performance declines on self-invoking tasks. For example, o1-mini achieves 96.2% pass@1 on HumanEval but only 76.2% on HumanEval Pro. (ii) On self-invoking code generation task, the instruction-tuned models demonstrate only marginal improvements compared to the base models. Third, we disclose the types of failure modes that exist in our evaluation results. All these results underscore the need for further advancements in self-invoking code generation tasks and provide a new direction for future research on enhancing LLMs' code reasoning capabilities.

  • 4 authors
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Dec 30, 2024 3

MetaLadder: Ascending Mathematical Solution Quality via Analogical-Problem Reasoning Transfer

Large Language Models (LLMs) have demonstrated promising capabilities in solving mathematical reasoning tasks, leveraging Chain-of-Thought (CoT) data as a vital component in guiding answer generation. Current paradigms typically generate CoT and answers directly for a given problem, diverging from human problem-solving strategies to some extent. Humans often solve problems by recalling analogous cases and leveraging their solutions to reason about the current task. Inspired by this cognitive process, we propose MetaLadder, a novel framework that explicitly prompts LLMs to recall and reflect on meta-problems, those structurally or semantically analogous problems, alongside their CoT solutions before addressing the target problem. Additionally, we introduce a problem-restating mechanism to enhance the model's comprehension of the target problem by regenerating the original question, which further improves reasoning accuracy. Therefore, the model can achieve reasoning transfer from analogical problems, mimicking human-like "learning from examples" and generalization abilities. Extensive experiments on mathematical benchmarks demonstrate that our MetaLadder significantly boosts LLMs' problem-solving accuracy, largely outperforming standard CoT-based methods (10.3\% accuracy gain) and other methods. Our code and data has been released at https://github.com/LHL3341/MetaLadder.

  • 8 authors
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Mar 19 2

Leveraging Online Olympiad-Level Math Problems for LLMs Training and Contamination-Resistant Evaluation

Advances in Large Language Models (LLMs) have sparked interest in their ability to solve Olympiad-level math problems. However, the training and evaluation of these models are constrained by the limited size and quality of available datasets, as creating large-scale data for such advanced problems requires extensive effort from human experts. In addition, current benchmarks are prone to contamination, leading to unreliable evaluations. In this paper, we present an automated pipeline that leverages the rich resources of the Art of Problem Solving (AoPS) forum, which predominantly features Olympiad-level problems and community-driven solutions. Using open-source LLMs, we develop a method to extract question-answer pairs from the forum, resulting in AoPS-Instruct, a dataset of more than 600,000 high-quality QA pairs. Our experiments demonstrate that fine-tuning LLMs on AoPS-Instruct improves their reasoning abilities across various benchmarks. Moreover, we build an automatic pipeline that introduces LiveAoPSBench, an evolving evaluation set with timestamps, derived from the latest forum data, providing a contamination-resistant benchmark for assessing LLM performance. Notably, we observe a significant decline in LLM performance over time, suggesting their success on older examples may stem from pre-training exposure rather than true reasoning ability. Our work presents a scalable approach to creating and maintaining large-scale, high-quality datasets for advanced math reasoning, offering valuable insights into the capabilities and limitations of LLMs in this domain. Our benchmark and code is available at https://github.com/DSL-Lab/aops

  • 6 authors
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Jan 24