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Aug 3

Neural Sheaf Diffusion: A Topological Perspective on Heterophily and Oversmoothing in GNNs

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in the structure of the graph Laplacian operator, the properties of the associated diffusion equation, and the characteristics of the convolutional models that discretise this equation. In this paper, we use cellular sheaf theory to show that the underlying geometry of the graph is deeply linked with the performance of GNNs in heterophilic settings and their oversmoothing behaviour. By considering a hierarchy of increasingly general sheaves, we study how the ability of the sheaf diffusion process to achieve linear separation of the classes in the infinite time limit expands. At the same time, we prove that when the sheaf is non-trivial, discretised parametric diffusion processes have greater control than GNNs over their asymptotic behaviour. On the practical side, we study how sheaves can be learned from data. The resulting sheaf diffusion models have many desirable properties that address the limitations of classical graph diffusion equations (and corresponding GNN models) and obtain competitive results in heterophilic settings. Overall, our work provides new connections between GNNs and algebraic topology and would be of interest to both fields.

  • 5 authors
·
Feb 9, 2022

Hard Negative Sample-Augmented DPO Post-Training for Small Language Models

Large language models (LLMs) continue to struggle with mathematical reasoning, and common post-training pipelines often reduce each generated solution to a binary outcome: correct or incorrect. This perspective is limiting in practice, as failures in chain-of-thought (CoT) reasoning are frequently structured; solutions may appear convincing while containing subtle logical, algebraic, or numerical flaws. Meanwhile, reinforcement learning from human feedback (RLHF) variants that rely on large reward models or LLM-as-a-judge signals are often expensive, difficult to scale, and unstable to iterate. We propose a lightweight and pragmatic post-training pipeline that targets such structured errors under realistic compute budgets. Starting from supervised fine-tuning (SFT) on MetaMathQA-style CoT data, we introduce a compact MathVerifier that decomposes a candidate solution into a six-dimensional error profile and aggregates it into interpretable wrongness and absurdity scores. These verifier signals serve two roles: (i) mining hard negatives that are near-correct yet structurally flawed, and (ii) defining per-sample importance weights that emphasize the most informative preference pairs. We integrate both into an offline Direct Preference Optimization (DPO) objective via a verifier-guided weighted formulation. Experiments on a 1.5B-parameter Qwen2.5 model show that verifier-guided, weighted DPO yields more targeted improvements than vanilla SFT and unweighted DPO, particularly on problems where solutions are numerically close to correct but logically inconsistent, while avoiding the overhead of training large reward models or relying on external judges.

  • 3 authors
·
Apr 13

One-connection rule for structural equation models

Linear structural equation models are multivariate statistical models encoded by mixed graphs. In particular, the set of covariance matrices for distributions belonging to a linear structural equation model for a fixed mixed graph G=(V, D,B) is parameterized by a rational function with parameters for each vertex and edge in G. This rational parametrization naturally allows for the study of these models from an algebraic and combinatorial point of view. Indeed, this point of view has led to a collection of results in the literature, mainly focusing on questions related to identifiability and determining relationships between covariances (i.e., finding polynomials in the Gaussian vanishing ideal). So far, a large proportion of these results has focused on the case when D, the directed part of the mixed graph G, is acyclic. This is due to the fact that in the acyclic case, the parametrization becomes polynomial and there is a description of the entries of the covariance matrices in terms of a finite sum. We move beyond the acyclic case and give a closed form expression for the entries of the covariance matrices in terms of the one-connections in a graph obtained from D through some small operations. This closed form expression then allows us to show that if G is simple, then the parametrization map is generically finite-to-one. Finally, having a closed form expression for the covariance matrices allows for the development of an algorithm for systematically exploring possible polynomials in the Gaussian vanishing ideal.

  • 4 authors
·
Oct 1, 2022

Categorical semiotics: Foundations for Knowledge Integration

The integration of knowledge extracted from diverse models, whether described by domain experts or generated by machine learning algorithms, has historically been challenged by the absence of a suitable framework for specifying and integrating structures, learning processes, data transformations, and data models or rules. In this work, we extend algebraic specification methods to address these challenges within such a framework. In our work, we tackle the challenging task of developing a comprehensive framework for defining and analyzing deep learning architectures. We believe that previous efforts have fallen short by failing to establish a clear connection between the constraints a model must adhere to and its actual implementation. Our methodology employs graphical structures that resemble Ehresmann's sketches, interpreted within a universe of fuzzy sets. This approach offers a unified theory that elegantly encompasses both deterministic and non-deterministic neural network designs. Furthermore, we highlight how this theory naturally incorporates fundamental concepts from computer science and automata theory. Our extended algebraic specification framework, grounded in graphical structures akin to Ehresmann's sketches, offers a promising solution for integrating knowledge across disparate models and domains. By bridging the gap between domain-specific expertise and machine-generated insights, we pave the way for more comprehensive, collaborative, and effective approaches to knowledge integration and modeling.

  • 1 authors
·
Apr 1, 2024

MMPerspective: Do MLLMs Understand Perspective? A Comprehensive Benchmark for Perspective Perception, Reasoning, and Robustness

Understanding perspective is fundamental to human visual perception, yet the extent to which multimodal large language models (MLLMs) internalize perspective geometry remains unclear. We introduce MMPerspective, the first benchmark specifically designed to systematically evaluate MLLMs' understanding of perspective through 10 carefully crafted tasks across three complementary dimensions: Perspective Perception, Reasoning, and Robustness. Our benchmark comprises 2,711 real-world and synthetic image instances with 5,083 question-answer pairs that probe key capabilities, such as vanishing point perception and counting, perspective type reasoning, line relationship understanding in 3D space, invariance to perspective-preserving transformations, etc. Through a comprehensive evaluation of 43 state-of-the-art MLLMs, we uncover significant limitations: while models demonstrate competence on surface-level perceptual tasks, they struggle with compositional reasoning and maintaining spatial consistency under perturbations. Our analysis further reveals intriguing patterns between model architecture, scale, and perspective capabilities, highlighting both robustness bottlenecks and the benefits of chain-of-thought prompting. MMPerspective establishes a valuable testbed for diagnosing and advancing spatial understanding in vision-language systems. Resources available at: https://yunlong10.github.io/MMPerspective/

  • 14 authors
·
May 26, 2025 1

Extended Detailed Balance for Systems with Irreversible Reactions

The principle of detailed balance states that in equilibrium each elementary process is equilibrated by its reverse process. For many real physico-chemical complex systems (e.g. homogeneous combustion, heterogeneous catalytic oxidation, most enzyme reactions etc), detailed mechanisms include both reversible and irreversible reactions. In this case, the principle of detailed balance cannot be applied directly. We represent irreversible reactions as limits of reversible steps and obtain the principle of detailed balance for complex mechanisms with some irreversible elementary processes. We proved two consequences of the detailed balance for these mechanisms: the structural condition and the algebraic condition that form together the extended form of detailed balance. The algebraic condition is the principle of detailed balance for the reversible part. The structural condition is: the convex hull of the stoichiometric vectors of the irreversible reactions has empty intersection with the linear span of the stoichiometric vectors of the reversible reaction. Physically, this means that the irreversible reactions cannot be included in oriented pathways. The systems with the extended form of detailed balance are also the limits of the reversible systems with detailed balance when some of the equilibrium concentrations (or activities) tend to zero. Surprisingly, the structure of the limit reaction mechanism crucially depends on the relative speeds of this tendency to zero.

  • 2 authors
·
Jan 27, 2011

Algorithm-assisted discovery of an intrinsic order among mathematical constants

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

  • 9 authors
·
Aug 22, 2023

AI for Mathematics: Progress, Challenges, and Prospects

AI for Mathematics (AI4Math) has emerged as a distinct field that leverages machine learning to navigate mathematical landscapes historically intractable for early symbolic systems. While mid-20th-century symbolic approaches successfully automated formal logic, they faced severe scalability limitations due to the combinatorial explosion of the search space. The recent integration of data-driven approaches has revitalized this pursuit. In this review, we provide a systematic overview of AI4Math, highlighting its primary focus on developing AI models to support mathematical research. Crucially, we emphasize that this is not merely the application of AI to mathematical activities; it also encompasses the development of stronger AI systems where the rigorous nature of mathematics serves as a premier testbed for advancing general reasoning capabilities. We categorize existing research into two complementary directions: problem-specific modeling, involving the design of specialized architectures for distinct mathematical tasks, and general-purpose modeling, focusing on foundation models capable of broader reasoning, retrieval, and exploratory workflows. We conclude by discussing key challenges and prospects, advocating for AI systems that go beyond facilitating formal correctness to enabling the discovery of meaningful results and unified theories, recognizing that the true value of a proof lies in the insights and tools it offers to the broader mathematical landscape.

  • 2 authors
·
Jan 19

A Benchmark for Math Misconceptions: Bridging Gaps in Middle School Algebra with AI-Supported Instruction

This study introduces an evaluation benchmark for middle school algebra to be used in artificial intelligence(AI) based educational platforms. The goal is to support the design of AI systems that can enhance learner conceptual understanding of algebra by taking into account their current level of algebra comprehension. The data set comprises 55 misconceptions about algebra, common errors, and 220 diagnostic examples identified in previous peer-reviewed studies. We provide an example application using a large language model, observing a range of precision and recall scores depending on the topic and experimental setup that reaches 83.9% when including educator feedback and restricting it by topic. We found that topics such as ratios and proportions prove as difficult for LLMs as they are for students. We included a human assessment of LLMs results and feedback from five middle school math educators on the clarity and occurrence of misconceptions in the dataset and the potential use of AI in conjunction with the dataset. Most educators (80% or more) indicated that they encounter these misconceptions among their students, suggesting the relevance of the data set to teaching middle school algebra. Despite varying familiarity with AI tools, four out of five educators expressed interest in using the data set with AI to diagnose student misconceptions or train teachers. The results emphasize the importance of topic-constrained testing, the need for multimodal approaches, and the relevance of human expertise to gain practical insights when using AI for human learning.

  • 3 authors
·
Dec 4, 2024

VisTIRA: Closing the Image-Text Modality Gap in Visual Math Reasoning via Structured Tool Integration

Vision-language models (VLMs) lag behind text-only language models on mathematical reasoning when the same problems are presented as images rather than text. We empirically characterize this as a modality gap: the same question in text form yields markedly higher accuracy than its visually typeset counterpart, due to compounded failures in reading dense formulas, layout, and mixed symbolic-diagrammatic context. First, we introduce VisTIRA (Vision and Tool-Integrated Reasoning Agent), a tool-integrated reasoning framework that enables structured problem solving by iteratively decomposing a given math problem (as an image) into natural language rationales and executable Python steps to determine the final answer. Second, we build a framework to measure and improve visual math reasoning: a LaTeX-based pipeline that converts chain-of-thought math corpora (e.g., NuminaMath) into challenging image counterparts, and a large set of synthetic tool-use trajectories derived from a real-world, homework-style image dataset (called SnapAsk) for fine-tuning VLMs. Our experiments show that tool-integrated supervision improves image-based reasoning, and OCR grounding can further narrow the gap for smaller models, although its benefit diminishes at scale. These findings highlight that modality gap severity inversely correlates with model size, and that structured reasoning and OCR-based grounding are complementary strategies for advancing visual mathematical reasoning.

  • 4 authors
·
Jan 20

Draw2Think: Harnessing Geometry Reasoning through Constraint Engine Interaction

Vision-language models solve geometry problems with rising accuracy, yet their intermediate states remain latent and unverifiable: a relation expressed in textual reasoning or drawing code carries no guarantee that a constraint-satisfying configuration realizes it. We observe that existing externalization methods based on rendered pixels or one-shot scripts fail to provide exact, per-action geometric guarantees. Enforcing geometric relations by algebraic definition closes this gap: the workspace becomes a constraint-checked evolving canvas. We present Draw2Think, a framework that recasts geometric reasoning from latent spatial inference into agentic interaction with the GeoGebra constraint engine. In a Propose-Draw-Verify loop, Draw2Think externalizes hypotheses onto an executable canvas, measures exact geometric quantities, and feeds structured observations back to the model, so subsequent reasoning proceeds from checked canvas state grounded by the shared workspace. This externalization makes two properties separately auditable: model-level Construction Fidelity (whether the canvas realizes the intended configuration) and engine-level Measurement Faithfulness (exact values and relations from canvas constraints). Across construction, outcome, and rendering evaluations, Draw2Think builds canvases that pass 95.9% predicate-level and 84.0% strict problem-level construction checks on GeoGoal, improves outcome accuracy by up to 4.1%/16.4% on planar/solid benchmarks, and attains 68.2%/90.5% strict/relaxed rendering scores on GenExam-math. Project page is available at https://draw2think.github.io/

Space-time tradeoffs of lenses and optics via higher category theory

Optics and lenses are abstract categorical gadgets that model systems with bidirectional data flow. In this paper we observe that the denotational definition of optics - identifying two optics as equivalent by observing their behaviour from the outside - is not suitable for operational, software oriented approaches where optics are not merely observed, but built with their internal setups in mind. We identify operational differences between denotationally isomorphic categories of cartesian optics and lenses: their different composition rule and corresponding space-time tradeoffs, positioning them at two opposite ends of a spectrum. With these motivations we lift the existing categorical constructions and their relationships to the 2-categorical level, showing that the relevant operational concerns become visible. We define the 2-category 2-Optic(C) whose 2-cells explicitly track optics' internal configuration. We show that the 1-category Optic(C) arises by locally quotienting out the connected components of this 2-category. We show that the embedding of lenses into cartesian optics gets weakened from a functor to an oplax functor whose oplaxator now detects the different composition rule. We determine the difficulties in showing this functor forms a part of an adjunction in any of the standard 2-categories. We establish a conjecture that the well-known isomorphism between cartesian lenses and optics arises out of the lax 2-adjunction between their double-categorical counterparts. In addition to presenting new research, this paper is also meant to be an accessible introduction to the topic.

  • 1 authors
·
Sep 19, 2022

Proof2Hybrid: Automatic Mathematical Benchmark Synthesis for Proof-Centric Problems

Evaluating the mathematical capability of Large Language Models (LLMs) is a critical yet challenging frontier. Existing benchmarks fall short, particularly for proof-centric problems, as manual creation is unscalable and costly, leaving the true mathematical abilities of LLMs largely unassessed. To overcome these barriers, we propose Proof2Hybrid, the first fully automated framework that synthesizes high-quality, proof-centric benchmarks from natural language mathematical corpora. The key novelty of our solution is Proof2X, a roadmap of converting mathematical proofs into various kinds of questions that are easy to verify. Instructed by this roadmap, we propose a new type of hybrid-formatted questions, named ``m-out-of-n multiple judge questions'', specifically designed to enable robust, automatic evaluation while being resilient to guessing and superficial pattern matching inherent in traditional formats. As a demonstration of our framework, we introduce AlgGeoTest, a benchmark for algebraic geometry--a frontier domain of modern mathematics--comprising 456 challenging items. Our extensive evaluations on state-of-the-art LLMs using AlgGeoTest reveal profound deficits in their comprehension of algebraic geometry, providing a more precise measure of their true mathematical capabilities. Our framework and benchmark pave the way for a new wave of in-depth research into the mathematical intelligence of AI systems.

  • 9 authors
·
Aug 4, 2025

Beyond True or False: Retrieval-Augmented Hierarchical Analysis of Nuanced Claims

Claims made by individuals or entities are oftentimes nuanced and cannot be clearly labeled as entirely "true" or "false" -- as is frequently the case with scientific and political claims. However, a claim (e.g., "vaccine A is better than vaccine B") can be dissected into its integral aspects and sub-aspects (e.g., efficacy, safety, distribution), which are individually easier to validate. This enables a more comprehensive, structured response that provides a well-rounded perspective on a given problem while also allowing the reader to prioritize specific angles of interest within the claim (e.g., safety towards children). Thus, we propose ClaimSpect, a retrieval-augmented generation-based framework for automatically constructing a hierarchy of aspects typically considered when addressing a claim and enriching them with corpus-specific perspectives. This structure hierarchically partitions an input corpus to retrieve relevant segments, which assist in discovering new sub-aspects. Moreover, these segments enable the discovery of varying perspectives towards an aspect of the claim (e.g., support, neutral, or oppose) and their respective prevalence (e.g., "how many biomedical papers believe vaccine A is more transportable than B?"). We apply ClaimSpect to a wide variety of real-world scientific and political claims featured in our constructed dataset, showcasing its robustness and accuracy in deconstructing a nuanced claim and representing perspectives within a corpus. Through real-world case studies and human evaluation, we validate its effectiveness over multiple baselines.

  • 3 authors
·
Jun 12, 2025 2

MathReal: We Keep It Real! A Real Scene Benchmark for Evaluating Math Reasoning in Multimodal Large Language Models

Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities in visual mathematical reasoning across various existing benchmarks. However, these benchmarks are predominantly based on clean or processed multimodal inputs, without incorporating the images provided by real-world Kindergarten through 12th grade (K-12) educational users. To address this gap, we introduce MathReal, a meticulously curated dataset comprising 2,000 mathematical questions with images captured by handheld mobile devices in authentic scenarios. Each question is an image, containing the question text and visual element. We systematically classify the real images into three primary categories: image quality degradation, perspective variation, and irrelevant content interference, which are further delineated into 14 subcategories. Additionally, MathReal spans five core knowledge and ability categories, which encompass three question types and are divided into three difficulty levels. To comprehensively evaluate the multimodal mathematical reasoning abilities of state-of-the-art MLLMs in real-world scenarios, we design six experimental settings that enable a systematic analysis of their performance. Through extensive experimentation, we find that the problem-solving abilities of existing MLLMs are significantly challenged in realistic educational contexts. Based on this, we conduct a thorough analysis of their performance and error patterns, providing insights into their recognition, comprehension, and reasoning capabilities, and outlining directions for future improvements. Data and code: https://github.com/junfeng0288/MathReal.

  • 8 authors
·
Aug 8, 2025 2

Polynomial-Time Optimal Group Selection via the Double-Commutator Eigenvalue Problem

The algebraic diversity framework generalizes temporal averaging over multiple observations to algebraic group action on a single observation for second-order statistical estimation. The central open problem in this framework is group selection: given an M-dimensional observation with unknown covariance structure, find the finite group whose spectral decomposition best matches the covariance. Naive enumeration of all subgroups of the symmetric group S_M requires exponential time in M. We prove that this combinatorial problem reduces to a generalized eigenvalue problem derived from the double commutator of the covariance matrix, yielding a polynomial-time algorithm with complexity O(d^2M^2 + d^3), where d is the dimension of a generator basis. The minimum eigenvector of the double-commutator matrix directly constructs the optimal group generator in closed form, with no iterative optimization. The reduction is exact: the double-commutator minimum eigenvalue is zero if and only if the optimal generator lies in the span of the basis, and its magnitude provides a certifiable optimality gap when it does not. This problem does not appear in the standard catalogs of computational complexity (Garey and Johnson, 1979) and represents a new class linking group theory, matrix analysis, and statistical estimation. We establish connections to independent component analysis (JADE), structured matrix nearness problems, and simultaneous matrix diagonalization, and we show that the double-commutator formulation is the unique approach that is simultaneously polynomial-time, closed-form, and certifiable. We extend the framework to non-Abelian symmetry recovery via a Sequential GEVP with deflation, and add two identifiability theorems characterizing the commutant-lattice ambiguity and the dichotomy on whether Aut(R) recovers a generative subgroup or only a supergroup.

  • 1 authors
·
May 7