Mathematical Reasoning

Large language models (LLMs) have demonstrated remarkable capabilities in language generation, understanding, and few-shot learning in recent years. An extensive body of work has explored how their performance may be further improved through the tools of prompting, ranging from verification, self-consistency, or intermediate scratchpads. In this paper, we present a complementary approach to improve language responses where multiple language model instances propose and debate their individual responses and reasoning processes over multiple rounds to arrive at a common final answer. Our findings indicate that this approach significantly enhances mathematical and strategic reasoning across a number of tasks. We also demonstrate that our approach improves the factual validity of generated content, reducing fallacious answers and hallucinations that contemporary models are prone to. Our approach may be directly applied to existing black-box models and uses identical procedure and prompts for all tasks we investigate. Overall, our findings suggest that such "society of minds" approach has the potential to significantly advance the capabilities of LLMs and pave the way for further breakthroughs in language generation and understanding.

Scientific computing is an essential tool for scientific discovery and engineering design, and its computational cost is always a main concern in practice. To accelerate scientific computing, it is a promising approach to use machine learning (especially meta-learning) techniques for selecting hyperparameters of traditional numerical methods. There have been numerous proposals to this direction, but many of them require automatic-differentiable numerical methods. However, in reality, many practical applications still depend on well-established but non-automatic-differentiable legacy codes, which prevents practitioners from applying the state-of-the-art research to their own problems. To resolve this problem, we propose a non-intrusive methodology with a novel gradient estimation technique to combine machine learning and legacy numerical codes without any modification. We theoretically and numerically show the advantage of the proposed method over other baselines and present applications of accelerating established non-automatic-differentiable numerical solvers implemented in PETSc, a widely used open-source numerical software library.

Attention-based architectures, in particular transformers, are at the heart of a technological revolution. Interestingly, in addition to helping obtain state-of-the-art results on a wide range of applications, the attention mechanism intrinsically provides meaningful insights on the internal behavior of the model. Can these insights be used as explanations? Debate rages on. In this paper, we mathematically study a simple attention-based architecture and pinpoint the differences between post-hoc and attention-based explanations. We show that they provide quite different results, and that, despite their limitations, post-hoc methods are capable of capturing more useful insights than merely examining the attention weights.

The limitations of purely neural learning have sparked an interest in probabilistic neurosymbolic models, which combine neural networks with probabilistic logical reasoning. As these neurosymbolic models are trained with gradient descent, we study the complexity of differentiating probabilistic reasoning. We prove that although approximating these gradients is intractable in general, it becomes tractable during training. Furthermore, we introduce *WeightME*, an unbiased gradient estimator based on model sampling. Under mild assumptions, WeightME approximates the gradient with probabilistic guarantees using a logarithmic number of calls to a SAT solver. Lastly, we evaluate the necessity of these guarantees on the gradient. Our experiments indicate that the existing biased approximations indeed struggle to optimize even when exact solving is still feasible.

The linear ordering problem consists in finding a linear order $<$ on a finite set $A$ so as to minimize the sum of costs associated with pairs of elements $a, b$ for which $a < b$. The problem is NP-hard and APX-hard. We introduce algorithms for solving the problem *partially* by deciding efficiently for some pairs $(a,b)$ whether $a < b$ is in an optimal solution. To do so, we construct maps from the feasible set of orders to itself and establish efficiently testable conditions on the cost function of the problem for which these maps are improving. We examine the effectiveness and efficiency of these conditions and algorithms empirically, on two data sets.

Guaranteeing the correctness and factuality of language model (LM) outputs is a major open problem. In this work, we propose conformal factuality, a framework that can ensure high probability correctness guarantees for LMs by connecting language modeling and conformal prediction. Our insight is that the correctness of an LM output is equivalent to an uncertainty quantification problem, where the uncertainty sets are defined as the entailment set of an LM's output. Using this connection, we show that conformal prediction in language models corresponds to a back-off algorithm that provides high probability correctness guarantees by progressively making LM outputs less specific (and expanding the associated uncertainty sets). This approach applies to any black-box LM and requires very few human-annotated samples. Evaluations of our approach on closed book QA (FActScore, NaturalQuestions) and reasoning tasks (MATH) show that our approach can provide 80-90% correctness guarantees while retaining the majority of the LM's original output.

We introduce the Continuum Physical Dataset (ContPhy), a novel benchmark for assessing machine physical commonsense. ContPhy complements existing physical reasoning benchmarks by encompassing the inference of diverse physical properties, such as mass and density, across various scenarios and predicting corresponding dynamics. We evaluated a range of AI models and found that they still struggle to achieve satisfactory performance on ContPhy, which shows that current AI models still lack physical commonsense for the continuum, especially soft-bodies, and illustrates the value of the proposed dataset. We also introduce an oracle model (ContPRO) that marries the particle-based physical dynamic models with the recent large language models, which enjoy the advantages of both models, precise dynamic predictions, and interpretable reasoning. ContPhy aims to spur progress in perception and reasoning within diverse physical settings, narrowing the divide between human and machine intelligence in understanding the physical world.

In this paper, we propose **R**$^3$: Learning **R**easoning through **R**everse Curriculum **R**einforcement Learning (RL), a novel method that employs only outcome supervision to achieve the benefits of process supervision for large language models. The core challenge in applying RL to complex reasoning is to identify a sequence of actions that result in positive rewards and provide appropriate supervision for optimization. Outcome supervision provides sparse rewards for final results without identifying error locations, whereas process supervision offers step-wise rewards but requires extensive manual annotation. **R**$^3$ overcomes these limitations by learning from correct demonstrations. Specifically, **R**$^3$ progressively slides the start state of reasoning from a demonstration's end to its beginning, facilitating easier model exploration at all stages. Thus, **R**$^3$ establishes a step-wise curriculum, allowing outcome supervision to offer step-level signals and precisely pinpoint errors. Using Llama2-7B, our method surpasses RL baseline on eight reasoning tasks by $4.1$ points on average. Notably, in program-based reasoning, 7B-scale models perform comparably to larger models or closed-source models with our **R**$^3$.

Abductive Learning (ABL) is a promising framework for integrating sub-symbolic perception and logical reasoning through abduction. In this case, the abduction process provides supervision for the perception model from the background knowledge. Nevertheless, this process naturally contains uncertainty, since the knowledge base may be satisfied by numerous potential candidates. This implies that the result of the abduction process, i.e., a set of candidates, is ambiguous; both correct and incorrect candidates are mixed in this set. The prior art of abductive learning selects the candidate that has the minimal inconsistency of the knowledge base. However, this method overlooks the ambiguity in the abduction process and is prone to error when it fails to identify the correct candidates. To address this, we propose Ambiguity-Aware Abductive Learning ($\textrm{A}^3\textrm{BL}$), which evaluates all potential candidates and their probabilities, thus preventing the model from falling into sub-optimal solutions. Both experimental results and theoretical analyses prove that $\textrm{A}^3\textrm{BL}$ markedly enhances ABL by efficiently exploiting the ambiguous abduced supervision.

We study a model of machine teaching where the teacher mapping is constructed from a size function on both concepts and examples. The main question in machine teaching is the minimum number of examples needed for any concept, the so-called teaching dimension. A recent paper (Ferri et al., 2024) conjectured that the worst case for this model, as a function of the size of the concept class, occurs when the consistency matrix contains the binary representations of numbers from zero and up. In this paper we prove their conjecture. The result can be seen as a generalization of a theorem resolving the edge isoperimetry problem for hypercubes (Hart, 1976), and our proof is based on a lemma of (Graham, 1970).

While language models (LMs) have shown potential across a range of decision-making tasks, their reliance on simple acting processes limits their broad deployment as autonomous agents. In this paper, we introduce Language Agent Tree Search (LATS) -- the first general framework that synergizes the capabilities of LMs in reasoning, acting, and planning. By leveraging the in-context learning ability of LMs, we integrate Monte Carlo Tree Search into LATS to enable LMs as agents, along with LM-powered value functions and self-reflections for proficient exploration and enhanced decision-making. A key feature of our approach is the incorporation of an environment for external feedback, which offers a more deliberate and adaptive problem-solving mechanism that surpasses the constraints of existing techniques. Our experimental evaluation across diverse domains, including programming, interactive question-answering (QA), web navigation, and math, validates the effectiveness and generality of LATS in decision-making while maintaining competitive or improved reasoning performance. Notably, LATS achieves state-of-the-art pass@1 accuracy (92.7%) for programming on HumanEval with GPT-4 and demonstrates gradient-free performance (average score of 75.9) comparable to gradient-based fine-tuning for web navigation on WebShop with GPT-3.5. Code can be found at https://github.com/lapisrocks/LanguageAgentTreeSearch

The key to multi-label image classification (MLC) is to improve model performance by leveraging label correlations. Unfortunately, it has been shown that overemphasizing co-occurrence relationships can cause the overfitting issue of the model, ultimately leading to performance degradation. In this paper, we provide a causal inference framework to show that the correlative features caused by the target object and its co-occurring objects can be regarded as a mediator, which has both positive and negative impacts on model predictions. On the positive side, the mediator enhances the recognition performance of the model by capturing co-occurrence relationships; on the negative side, it has the harmful causal effect that causes the model to make an incorrect prediction for the target object, even when only co-occurring objects are present in an image. To address this problem, we propose a counterfactual reasoning method to measure the total direct effect, achieved by enhancing the direct effect caused only by the target object. Due to the unknown location of the target object, we propose patching-based training and inference to accomplish this goal, which divides an image into multiple patches and identifies the pivot patch that contains the target object. Experimental results on multiple benchmark datasets with diverse configurations validate that the proposed method can achieve state-of-the-art performance.

There is increasing interest in employing large language models (LLMs) as cognitive models. For such purposes, it is central to understand which properties of human cognition are well-modeled by LLMs, and which are not. In this work, we study the biases of LLMs in relation to those known in children when solving arithmetic word problems. Surveying the learning science literature, we posit that the problem-solving process can be split into three distinct steps: text comprehension, solution planning and solution execution. We construct tests for each one in order to understand whether current LLMs display the same cognitive biases as children in these steps. We generate a novel set of word problems for each of these tests, using a neuro-symbolic approach that enables fine-grained control over the problem features. We find evidence that LLMs, with and without instruction-tuning, exhibit human-like biases in both the text-comprehension and the solution-planning steps of the solving process, but not in the final step, in which the arithmetic expressions are executed to obtain the answer.

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure---length complexity---which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of today's LLMs can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

Existing research of video understanding still struggles to achieve in-depth comprehension and reasoning in complex videos, primarily due to the under-exploration of two key bottlenecks: fine-grained spatial-temporal perceptive understanding and cognitive-level video scene comprehension. This paper bridges the gap by presenting a novel solution. We first introduce a novel video Multimodal Large Language Model (MLLM), MotionEpic, which achieves fine-grained pixel-level spatial-temporal video grounding by integrating video spatial-temporal scene graph (STSG) representation. Building upon MotionEpic, we then develop a Video-of-Thought (VoT) reasoning framework. VoT inherits the Chain-of-Thought (CoT) core, breaking down a complex task into simpler and manageable sub-problems, and addressing them step-by-step from a low-level pixel perception to high-level cognitive interpretation. Extensive experiments across various complex video QA benchmarks demonstrate that our overall framework strikingly boosts existing state-of-the-art. To our knowledge, this is the first attempt at successfully implementing the CoT technique for achieving human-level video reasoning, where we show great potential in extending it to a wider range of video understanding scenarios. Systems and codes will be open later.

Abstract visual reasoning is a characteristically human ability, allowing the identification of relational patterns that are abstracted away from object features, and the systematic generalization of those patterns to unseen problems. Recent work has demonstrated strong systematic generalization in visual reasoning tasks involving multi-object inputs, through the integration of slot-based methods used for extracting object-centric representations coupled with strong inductive biases for relational abstraction. However, this approach was limited to problems containing a single rule, and was not scalable to visual reasoning problems containing a large number of objects. Other recent work proposed Abstractors, an extension of Transformers that incorporates strong relational inductive biases, thereby inheriting the Transformer's scalability and multi-head architecture, but it has yet to be demonstrated how this approach might be applied to multi-object visual inputs. Here we combine the strengths of the above approaches and propose Slot Abstractors, an approach to abstract visual reasoning that can be scaled to problems involving a large number of objects and multiple relations among them. The approach displays state-of-the-art performance across four abstract visual reasoning tasks, as well as an abstract reasoning task involving real-world images.

We propose Neural Walk-on-Spheres (NWoS), a novel neural PDE solver for the efficient solution of high-dimensional Poisson equations. Leveraging stochastic representations and Walk-on-Spheres methods, we develop novel losses for neural networks based on the recursive solution of Poisson equations on spheres inside the domain. The resulting method is highly parallelizable and does not require spatial gradients for the loss. We provide a comprehensive comparison against competing methods based on PINNs, the Deep Ritz method, and (backward) stochastic differential equations. In several challenging, high-dimensional numerical examples, we demonstrate the superiority of NWoS in accuracy, speed, and computational costs. Compared to commonly used PINNs, our approach can reduce memory usage and errors by orders of magnitude. Furthermore, we apply NWoS to problems in PDE-constrained optimization and molecular dynamics to show its efficiency in practical applications.

Recent advancements in solving large-scale traveling salesman problems (TSP) utilize the heatmap-guided Monte Carlo tree search (MCTS) paradigm, where machine learning (ML) models generate heatmaps, indicating the probability distribution of each edge being part of the optimal solution, to guide MCTS in solution finding. However, our theoretical and experimental analysis raises doubts about the effectiveness of ML-based heatmap generation. In support of this, we demonstrate that a simple baseline method can outperform complex ML approaches in heatmap generation. Furthermore, we question the practical value of the heatmap-guided MCTS paradigm. To substantiate this, our findings show its inferiority to the LKH-3 heuristic despite the paradigm's reliance on problem-specific, hand-crafted strategies. For the future, we suggest research directions focused on developing more theoretically sound heatmap generation methods and exploring autonomous, generalizable ML approaches for combinatorial problems. The code is available for review: https://github.com/xyfffff/rethink_mcts_for_tsp.

Most existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning capabilities required for solving complex scientific problems, we introduce an expansive benchmark suite SciBench for LLMs. SciBench contains a carefully curated dataset featuring a range of collegiate-level scientific problems from mathematics, chemistry, and physics domains. Based on the dataset, we conduct an in-depth benchmarking study of representative open-source and proprietary LLMs with various prompting strategies. The results reveal that current LLMs fall short of delivering satisfactory performance, with the best overall score of merely 43.22%. Furthermore, through a detailed user study, we categorize the errors made by LLMs into ten problem-solving abilities. Our analysis indicates that no single prompting strategy significantly outperforms the others and some strategies that demonstrate improvements in certain problem-solving skills could result in declines in other skills. We envision that SciBench will catalyze further developments in the reasoning abilities of LLMs, thereby ultimately contributing to scientific research and discovery.

Recently various optimization problems, such as Mixed Integer Linear Programming Problems (MILPs), have undergone comprehensive investigation, leveraging the capabilities of machine learning. This work focuses on learning-based solutions for efficiently solving the Quadratic Assignment Problem (QAPs), which stands as a formidable challenge in combinatorial optimization. While many instances of simpler problems admit fully polynomial-time approximate solution (FPTAS), QAP is shown to be strongly NPhard. Even finding a FPTAS for QAP is difficult, in the sense that the existence of a FPTAS implies P = NP. Current research on QAPs suffer from limited scale and computational inefficiency. To attack the aforementioned issues, we here propose the first solution of its kind for QAP in the learn-to-improve category. This work encodes facility and location nodes separately, instead of forming computationally intensive association graphs prevalent in current approaches. This design choice enables scalability to larger problem sizes. Furthermore, a Solution AWare Transformer (SAWT) architecture integrates the incumbent solution matrix with the attention score to effectively capture higher-order information of the QAPs. Our model’s effectiveness is validated through extensive experiments on self-generated QAP instances of varying sizes and the QAPLIB benchmark.