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Apr 16

How Many Heads Make an SSM? A Unified Framework for Attention and State Space Models

Sequence modeling has produced diverse architectures -- from classical recurrent neural networks to modern Transformers and state space models (SSMs) -- yet a unified theoretical understanding of expressivity and trainability trade-offs remains limited. We introduce a unified framework that represents a broad class of sequence maps via an input-dependent effective interaction operator W_{ij}(X), making explicit two recurring construction patterns: (i) the Unified Factorized Framework (Explicit) (attention-style mixing), in which W_{ij}(X) varies through scalar coefficients applied to shared value maps, and (ii) Structured Dynamics (Implicit) (state-space recurrences), in which W_{ij} is induced by a latent dynamical system. Using this framework, we derive three theoretical results. First, we establish the Interaction Rank Gap: models in the Unified Factorized Framework, such as single-head attention, are constrained to a low-dimensional operator span and cannot represent certain structured dynamical maps. Second, we prove an Equivalence (Head-Count) Theorem showing that, within our multi-head factorized class, representing a linear SSM whose lag operators span a k-dimensional subspace on length-n sequences requires and is achievable with H=k heads. Third, we prove a Gradient Highway Result, showing that attention layers admit inputs with distance-independent gradient paths, whereas stable linear dynamics exhibit distance-dependent gradient attenuation. Together, these results formalize a fundamental trade-off between algebraic expressivity (interaction/operator span) and long-range gradient propagation, providing theoretical grounding for modern sequence architecture design.

  • 1 authors
·
Dec 17, 2025

On Expressivity and Trainability of Quadratic Networks

Inspired by the diversity of biological neurons, quadratic artificial neurons can play an important role in deep learning models. The type of quadratic neurons of our interest replaces the inner-product operation in the conventional neuron with a quadratic function. Despite promising results so far achieved by networks of quadratic neurons, there are important issues not well addressed. Theoretically, the superior expressivity of a quadratic network over either a conventional network or a conventional network via quadratic activation is not fully elucidated, which makes the use of quadratic networks not well grounded. Practically, although a quadratic network can be trained via generic backpropagation, it can be subject to a higher risk of collapse than the conventional counterpart. To address these issues, we first apply the spline theory and a measure from algebraic geometry to give two theorems that demonstrate better model expressivity of a quadratic network than the conventional counterpart with or without quadratic activation. Then, we propose an effective training strategy referred to as ReLinear to stabilize the training process of a quadratic network, thereby unleashing the full potential in its associated machine learning tasks. Comprehensive experiments on popular datasets are performed to support our findings and confirm the performance of quadratic deep learning. We have shared our code in https://github.com/FengleiFan/ReLinear.

  • 5 authors
·
Oct 12, 2021

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

Equivariant Polynomials for Graph Neural Networks

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

  • 5 authors
·
Feb 22, 2023

Yet another argument in favour of NP=CoNP

This article shows yet another proof of NP=CoNP$. In a previous article, we proved that NP=PSPACE and from it we can conclude that NP=CoNP immediately. The former proof shows how to obtain polynomial and, polynomial in time checkable Dag-like proofs for all purely implicational Minimal logic tautologies. From the fact that Minimal implicational logic is PSPACE-complete we get the proof that NP=PSPACE. This first proof of NP=CoNP uses Hudelmaier linear upper-bound on the height of Sequent Calculus minimal implicational logic proofs. In an addendum to the proof of NP=PSPACE, we observe that we do not need to use Hudelmaier upper-bound since any proof of non-hamiltonicity for any graph is linear upper-bounded. By the CoNP-completeness of non-hamiltonicity, we obtain NP=CoNP as a corollary of the first proof. In this article we show the third proof of CoNP=NP, also providing polynomial size and polynomial verifiable certificates that are Dags. They are generated from normal Natural Deduction proofs, linear height upper-bounded too, by removing redundancy, i.e., repeated parts. The existence of repeated parts is a consequence of the redundancy theorem for a family of super-polynomial proofs in the purely implicational Minimal logic. It is mandatory to read at least two previous articles to get the details of the proof presented here. The article that proves the redundancy theorem and the article that shows how to remove the repeated parts of a normal Natural Deduction proof to have a polynomial Dag certificate for minimal implicational logic tautologies.

  • 1 authors
·
Dec 28, 2020

MathBridge: A Large-Scale Dataset for Translating Mathematical Expressions into Formula Images

Understanding sentences that contain mathematical expressions in text form poses significant challenges. To address this, the importance of converting these expressions into formula images has been highlighted. For instance, the expression ``x equals minus b plus or minus the square root of b squared minus four a c, all over two a'' is more readily comprehensible when displayed as an image x = -b pm sqrt{b^2 - 4ac}{2a}. To develop a text-to-image conversion system, we can break down the process into text-to-LaTeX and LaTeX-to-image conversions, with the latter being managed with by existing various LaTeX engines. However, the former approach has been notably hindered by the severe scarcity of text-to-LaTeX paired data, presenting a significant challenge in the field.In this context, we introduce MathBridge, the first extensive dataset for translating mathematical spoken English into LaTeX, which aims to establish a robust baseline for future research in text-to-LaTeX translation. MathBridge comprises approximately 23 million LaTeX formulas paired with corresponding spoken English expressions. Through comprehensive evaluations, including fine-tuning and testing with data, we discovered that MathBridge significantly enhances pre-trained language models' capabilities for text-to-LaTeX translation. Specifically, for the T5-large model, the sacreBLEU score increased from 4.77 to 46.8, demonstrating substantial enhancement. Our findings indicate the necessity for a new metric specifically for text-to-LaTeX conversion evaluation.

  • 7 authors
·
Aug 7, 2024 1

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

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

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

The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products

E(3)-equivariant neural networks have demonstrated success across a wide range of 3D modelling tasks. A fundamental operation in these networks is the tensor product, which interacts two geometric features in an equivariant manner to create new features. Due to the high computational complexity of the tensor product, significant effort has been invested to optimize the runtime of this operation. For example, Luo et al. (2024) recently proposed the Gaunt tensor product (GTP) which promises a significant speedup. In this work, we provide a careful, systematic analysis of a number of tensor product operations. In particular, we emphasize that different tensor products are not performing the same operation. The reported speedups typically come at the cost of expressivity. We introduce measures of expressivity and interactability to characterize these differences. In addition, we realized the original implementation of GTP can be greatly simplified by directly using a spherical grid at no cost in asymptotic runtime. This spherical grid approach is faster on our benchmarks and in actual training of the MACE interatomic potential by 30%. Finally, we provide the first systematic microbenchmarks of the various tensor product operations. We find that the theoretical runtime guarantees can differ wildly from empirical performance, demonstrating the need for careful application-specific benchmarking. Code is available at https://github.com/atomicarchitects/PriceofFreedom.

  • 4 authors
·
Jun 16, 2025

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

One Example Shown, Many Concepts Known! Counterexample-Driven Conceptual Reasoning in Mathematical LLMs

Leveraging mathematical Large Language Models (LLMs) for proof generation is a fundamental topic in LLMs research. We argue that the ability of current LLMs to prove statements largely depends on whether they have encountered the relevant proof process during training. This reliance limits their deeper understanding of mathematical theorems and related concepts. Inspired by the pedagogical method of "proof by counterexamples" commonly used in human mathematics education, our work aims to enhance LLMs' ability to conduct mathematical reasoning and proof through counterexamples. Specifically, we manually create a high-quality, university-level mathematical benchmark, CounterMATH, which requires LLMs to prove mathematical statements by providing counterexamples, thereby assessing their grasp of mathematical concepts. Additionally, we develop a data engineering framework to automatically obtain training data for further model improvement. Extensive experiments and detailed analyses demonstrate that CounterMATH is challenging, indicating that LLMs, such as OpenAI o1, have insufficient counterexample-driven proof capabilities. Moreover, our exploration into model training reveals that strengthening LLMs' counterexample-driven conceptual reasoning abilities is crucial for improving their overall mathematical capabilities. We believe that our work offers new perspectives on the community of mathematical LLMs.

  • 13 authors
·
Feb 11, 2025 2

Completeness for arbitrary finite dimensions of ZXW-calculus, a unifying calculus

The ZX-calculus is a universal graphical language for qubit quantum computation, meaning that every linear map between qubits can be expressed in the ZX-calculus. Furthermore, it is a complete graphical rewrite system: any equation involving linear maps that is derivable in the Hilbert space formalism for quantum theory can also be derived in the calculus by rewriting. It has widespread usage within quantum industry and academia for a variety of tasks such as quantum circuit optimisation, error-correction, and education. The ZW-calculus is an alternative universal graphical language that is also complete for qubit quantum computing. In fact, its completeness was used to prove that the ZX-calculus is universally complete. This calculus has advanced how quantum circuits are compiled into photonic hardware architectures in the industry. Recently, by combining these two calculi, a new calculus has emerged for qubit quantum computation, the ZXW-calculus. Using this calculus, graphical-differentiation, -integration, and -exponentiation were made possible, thus enabling the development of novel techniques in the domains of quantum machine learning and quantum chemistry. Here, we generalise the ZXW-calculus to arbitrary finite dimensions, that is, to qudits. Moreover, we prove that this graphical rewrite system is complete for any finite dimension. This is the first completeness result for any universal graphical language beyond qubits.

  • 6 authors
·
Feb 23, 2023

Evaluating Language Models for Mathematics through Interactions

The standard methodology of evaluating large language models (LLMs) based on static pairs of inputs and outputs is insufficient for developing assistants: this kind of assessments fails to take into account the essential interactive element in their deployment, and therefore limits how we understand language model capabilities. We introduce CheckMate, an adaptable prototype platform for humans to interact with and evaluate LLMs. We conduct a study with CheckMate to evaluate three language models~(InstructGPT, ChatGPT, and GPT-4) as assistants in proving undergraduate-level mathematics, with a mixed cohort of participants from undergraduate students to professors of mathematics. We release the resulting interaction and rating dataset, MathConverse. By analysing MathConverse, we derive a preliminary taxonomy of human behaviours and uncover that despite a generally positive correlation, there are notable instances of divergence between correctness and perceived helpfulness in LLM generations, amongst other findings. Further, we identify useful scenarios and existing issues of GPT-4 in mathematical reasoning through a series of case studies contributed by expert mathematicians. We conclude with actionable takeaways for ML practitioners and mathematicians: models which communicate uncertainty, respond well to user corrections, are more interpretable and concise may constitute better assistants; interactive evaluation is a promising way to continually navigate the capability of these models; humans should be aware of language models' algebraic fallibility, and for that reason discern where they should be used.

  • 14 authors
·
Jun 2, 2023

Generative Logic: A New Computer Architecture for Deterministic Reasoning and Knowledge Generation

We present Generative Logic (GL), a deterministic architecture that begins from user-supplied axiomatic definitions -- written in a minimalist Mathematical Programming Language (MPL) -- and systematically explores their deductive neighborhood. Definitions are compiled into a distributed grid of simple Logic Blocks (LBs) that exchange messages; any time several expressions unify under an inference rule, a new fact is emitted with full provenance to its sources, yielding replayable, auditable proof graphs. A prototype software implementation instantiates the workflow on first-order Peano arithmetic. Starting only from the Peano axioms, GL enumerates candidate implications, applies normalization and type filters, and automatically reconstructs machine-checkable proofs of foundational arithmetic laws including associativity and commutativity of addition, associativity and commutativity of multiplication, and distributivity. Generated proofs export to navigable HTML so that every inference step can be inspected independently. We outline a hardware-software co-design path toward massively parallel realizations and describe prospective integration with probabilistic models (e.g., Large Language Models (LLMs)) for autoformalization and conjecture seeding. The Python and MPL code to reproduce the Peano experiments, along with the full HTML proof graphs, are available in the project's GitHub repository at https://github.com/Generative-Logic/GL/tree/35a111ea9ba53afe051703d6050be0c3923e9724 and are permanently archived at https://doi.org/10.5281/zenodo.16408441. We invite community feedback and collaboration.

  • 1 authors
·
Jul 25, 2025

UniGeo: Unifying Geometry Logical Reasoning via Reformulating Mathematical Expression

Geometry problem solving is a well-recognized testbed for evaluating the high-level multi-modal reasoning capability of deep models. In most existing works, two main geometry problems: calculation and proving, are usually treated as two specific tasks, hindering a deep model to unify its reasoning capability on multiple math tasks. However, in essence, these two tasks have similar problem representations and overlapped math knowledge which can improve the understanding and reasoning ability of a deep model on both two tasks. Therefore, we construct a large-scale Unified Geometry problem benchmark, UniGeo, which contains 4,998 calculation problems and 9,543 proving problems. Each proving problem is annotated with a multi-step proof with reasons and mathematical expressions. The proof can be easily reformulated as a proving sequence that shares the same formats with the annotated program sequence for calculation problems. Naturally, we also present a unified multi-task Geometric Transformer framework, Geoformer, to tackle calculation and proving problems simultaneously in the form of sequence generation, which finally shows the reasoning ability can be improved on both two tasks by unifying formulation. Furthermore, we propose a Mathematical Expression Pretraining (MEP) method that aims to predict the mathematical expressions in the problem solution, thus improving the Geoformer model. Experiments on the UniGeo demonstrate that our proposed Geoformer obtains state-of-the-art performance by outperforming task-specific model NGS with over 5.6% and 3.2% accuracies on calculation and proving problems, respectively.

  • 7 authors
·
Dec 5, 2022

Automated Search for Conjectures on Mathematical Constants using Analysis of Integer Sequences

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

  • 6 authors
·
Dec 13, 2022

Speech-to-LaTeX: New Models and Datasets for Converting Spoken Equations and Sentences

Conversion of spoken mathematical expressions is a challenging task that involves transcribing speech into a strictly structured symbolic representation while addressing the ambiguity inherent in the pronunciation of equations. Although significant progress has been achieved in automatic speech recognition (ASR) and language models (LM), the problem of converting spoken mathematics into LaTeX remains underexplored. This task directly applies to educational and research domains, such as lecture transcription or note creation. Based on ASR post-correction, prior work requires 2 transcriptions, focuses only on isolated equations, has a limited test set, and provides neither training data nor multilingual coverage. To address these issues, we present the first fully open-source large-scale dataset, comprising over 66,000 human-annotated audio samples of mathematical equations and sentences in both English and Russian, drawn from diverse scientific domains. In addition to the ASR post-correction models and few-shot prompting, we apply audio language models, demonstrating comparable character error rate (CER) results on the MathSpeech benchmark (28% vs. 30%) for the equations conversion. In contrast, on the proposed S2L-equations benchmark, our models outperform the MathSpeech model by a substantial margin of more than 40 percentage points, even after accounting for LaTeX formatting artifacts (27% vs. 64%). We establish the first benchmark for mathematical sentence recognition (S2L-sentences) and achieve an equation CER of 40%. This work lays the groundwork for future advances in multimodal AI, with a particular focus on mathematical content recognition.

  • 9 authors
·
Aug 5, 2025 2

Rethinking the Power of Graph Canonization in Graph Representation Learning with Stability

The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet rarely adopted when developing expressive GNNs. This paper proposes to maximize the expressivity of GNNs by graph canonization, then the power of such GNNs is studies from the perspective of model stability. A stable GNN will map similar graphs to close graph representations in the vectorial space, and the stability of GNNs is critical to generalize their performance to unseen graphs. We theoretically reveal the trade-off of expressivity and stability in graph-canonization-enhanced GNNs. Then we introduce a notion of universal graph canonization as the general solution to address the trade-off and characterize a widely applicable sufficient condition to solve the universal graph canonization. A comprehensive set of experiments demonstrates the effectiveness of the proposed method. In many popular graph benchmark datasets, graph canonization successfully enhances GNNs and provides highly competitive performance, indicating the capability and great potential of proposed method in general graph representation learning. In graph datasets where the sufficient condition holds, GNNs enhanced by universal graph canonization consistently outperform GNN baselines and successfully improve the SOTA performance up to 31%, providing the optimal solution to numerous challenging real-world graph analytical tasks like gene network representation learning in bioinformatics.

  • 8 authors
·
Sep 1, 2023

Cylindric plane partitions, Lambda determinants, Commutants in semicircular systems

This thesis is divided into three parts. The first part deals with cylindric plane partitions. The second with lambda-determinants and the third with commutators in semi-circular systems. For more detailed abstract please see inside. Cylindric plane partitions may be thought of as a natural generalization of reverse plane partitions. A generating series for the enumeration of cylindric plane partitions was recently given by Borodin. The first result of section one is a new bijective proof of Borodin's identity which makes use of Fomin's growth diagram framework for generalized RSK correspondences. The second result is a (q,t)-analog of Borodin's identity which extends previous work by Okada in the reverse plane partition case. The third result is an explicit combinatorial interpretation of the Macdonald weight occurring in the (q,t)-analog using the non-intersecting lattice path model for cylindric plane partitions. Alternating sign matrices were discovered by Robbins and Rumsey whilst studying λ-determinants. In the second part of this thesis we prove a multi-parameter generalization of the λ-determinant, generalizing a recent result by di Francesco. Like the original λ-determinant, our formula exhibits the Laurent phenomenon. Semicircular systems were first introduced by Voiculescu as a part of his study of von Neumann algebras. In the third part of this thesis we study certain commutator subalgebras of the semicircular system. We find a projection matrix with an interesting self-similar structure. Making use of our projection formula we given an alternative, elementary proof that the semicircular system is a factor.

  • 1 authors
·
Oct 25, 2021

Towards Autonomous Mathematics Research

Recent advances in foundational models have yielded reasoning systems capable of achieving a gold-medal standard at the International Mathematical Olympiad. The transition from competition-level problem-solving to professional research, however, requires navigating vast literature and constructing long-horizon proofs. In this work, we introduce Aletheia, a math research agent that iteratively generates, verifies, and revises solutions end-to-end in natural language. Specifically, Aletheia is powered by an advanced version of Gemini Deep Think for challenging reasoning problems, a novel inference-time scaling law that extends beyond Olympiad-level problems, and intensive tool use to navigate the complexities of mathematical research. We demonstrate the capability of Aletheia from Olympiad problems to PhD-level exercises and most notably, through several distinct milestones in AI-assisted mathematics research: (a) a research paper (Feng26) generated by AI without any human intervention in calculating certain structure constants in arithmetic geometry called eigenweights; (b) a research paper (LeeSeo26) demonstrating human-AI collaboration in proving bounds on systems of interacting particles called independent sets; and (c) an extensive semi-autonomous evaluation (Feng et al., 2026a) of 700 open problems on Bloom's Erdos Conjectures database, including autonomous solutions to four open questions. In order to help the public better understand the developments pertaining to AI and mathematics, we suggest codifying standard levels quantifying autonomy and novelty of AI-assisted results. We conclude with reflections on human-AI collaboration in mathematics.

google Google
·
Feb 10 1

Executable Functional Abstractions: Inferring Generative Programs for Advanced Math Problems

Scientists often infer abstract procedures from specific instances of problems and use the abstractions to generate new, related instances. For example, programs encoding the formal rules and properties of a system have been useful in fields ranging from RL (procedural environments) to physics (simulation engines). These programs can be seen as functions which execute to different outputs based on their parameterizations (e.g., gridworld configuration or initial physical conditions). We introduce the term EFA (Executable Functional Abstraction) to denote such programs for math problems. EFA-like constructs have been shown to be useful for math reasoning as problem generators for stress-testing models. However, prior work has been limited to abstractions for grade-school math (whose simple rules are easy to encode in programs), while generating EFAs for advanced math has thus far required human engineering. We explore the automatic construction of EFAs for advanced math problems. We operationalize the task of automatically constructing EFAs as a program synthesis task, and develop EFAGen, which conditions an LLM on a seed math problem and its step-by-step solution to generate candidate EFA programs that are faithful to the generalized problem and solution class underlying the seed problem. Furthermore, we formalize properties any valid EFA must possess in terms of executable unit tests, and show how the tests can be used as verifiable rewards to train LLMs to become better writers of EFAs. We demonstrate that EFAs constructed by EFAGen behave rationally by remaining faithful to seed problems, produce learnable problem variations, and that EFAGen can infer EFAs across multiple diverse sources of competition-level math problems. Finally, we show downstream uses of model-written EFAs e.g. finding problem variations that are harder or easier for a learner to solve, as well as data generation.

  • 5 authors
·
Apr 13, 2025 2