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awesome-ai-for-math

Awesome

A curated list of 123 awesome papers exploring the use of artificial intelligence / machine learning / deep learning for mathematical discoveries.

See CONTRIBUTING.md for contribution.

Papers by Year

Title Subject(s) Venue & Year Links & Resources
A Machine Learning Approach That Beats Large Rubik's Cubes Graph Theory, Group Theory, RL arXiv 2025 Code
A Systematization of the Wagner Framework: Graph Theory Conjectures and Reinforcement Learning Graph Theory, RL Discovery Science 2025 Code arXiv
Accelerating mathematical research with language models: A case study of an interaction with GPT-5-Pro on a convex analysis problem Analysis, LLM arXiv 2025
Advancing mathematics by guiding human intuition with AI Knot Theory, Representation Theory Nature 2021 Code
AI Mathematician as a Partner in Advancing Mathematical Discovery -- A Case Study in Homogenization Theory Analysis, LLM arXiv 2025
AI Mathematician: Towards Fully Automated Frontier Mathematical Research Analysis, LLM arXiv 2025
AI-driven research in pure mathematics and theoretical physics Survey Nature Reviews Physics 2025
Aletheia tackles FirstProof autonomously LLM, Benchmark arXiv 2026 Code
Algorithm Discovery With LLMs: Evolutionary Search Meets Reinforcement Learning Combinatorics, LLM, RL arXiv 2025 Code
Algorithm-assisted discovery of an intrinsic order among mathematical constants Number Theory PNAS 2024 Code
Almost all primes are partially regular Number Theory, ATP arXiv 2026 Code
AlphaEvolve: A coding agent for scientific and algorithmic discovery Matrix Multiplication, Analysis, Combinatorics, Discrete Geometry, LLM arXiv 2025 Unofficial Code
AlphaTensor: Discovering faster matrix multiplication algorithms Matrix Multiplication, RL Nature 2022 Code Blog
An algorithm for Aubert-Zelevinsky duality à la Mœglin-Waldspurger Representation Theory, Neural Network arXiv 2025 Code
An ML approach to resolution of singularities Algebraic Geometry, RL TAG-ML 2023 Code
Arithmetic volumes of moduli stacks of Shtukas Number Theory, Algebraic Geometry, LLM arXiv 2026 Code
Artificial intelligence and machine learning generated conjectures with TxGraffiti Graph Theory, Combinatorics arXiv 2024 Code
Automated Search for Conjectures on Mathematical Constants using Analysis of Integer Sequences Number Theory ICML 2023 Code
Can Transformers Do Enumerative Geometry? Algebraic Geometry, Interpretability, Transformer ICLR 2025 Code
CayleyPy RL: Pathfinding and Reinforcement Learning on Cayley Graphs Graph Theory, Group Theory, RL arXiv 2025 Code
Constructions in combinatorics via neural networks Graph Theory, RL arXiv 2021 Code
Counterexample to majority optimality in NICD with erasures Analysis, LLM arXiv 2025
Data-scientific study of Kronecker coefficients Representation Theory, PCA Experimental Mathematics 2023
Dead ends in square-free digit walks Number Theory, ATP arXiv 2026 Code
Deep Learning for Symbolic Mathematics Differential Equations, Symbolic Computation, Transformer ICLR 2020 Code
Discovery of Unstable Singularities Differential Equations, PINN arXiv 2025
Early science acceleration experiments with GPT-5 Combinatorics, Optimization Theory, LLM arXiv 2025
Eigenweights for arithmetic Hirzebruch Proportionality Number Theory, Representation Theory, LLM arXiv 2026 Code
EternalMath: A Living Benchmark of Frontier Mathematics that Evolves with Human Discovery Benchmark, LLM arXiv 2026
Even with AI, Bijection Discovery is Still Hard: The Opportunities and Challenges of OpenEvolve for Novel Bijection Construction Combinatorics, LLM arXiv 2025
Evolving Ranking Functions for Canonical Blow-Ups in Positive Characteristic Algebraic Geometry, LLM arXiv 2026
Extremal descendant integrals on moduli spaces of curves: An inequality discovered and proved in collaboration with AI Algebraic Geometry, ATP, LLM arXiv 2025 Code
Fel's Conjecture on Syzygies of Numerical Semigroups Combinatorics, Algebra, Number Theory, ATP arXiv 2026 Code
FIMO: A Challenge Formal Dataset for Automated Theorem Proving Benchmark, ATP arXiv 2023
First Proof Benchmark, LLM arXiv 2026 Website
Flow-based Extremal Mathematical Structure Discovery Combinatorics, Transformer, Discrete Geometry, RL arXiv 2026 Code
Forbidden Sidon subsets of perfect difference sets, featuring a human-assisted proof Combinatorics, Number Theory, LLM, ATP arXiv 2025 Code
FormalMATH: Benchmarking Formal Mathematical Reasoning of Large Language Models Benchmark, ATP, LLM arXiv 2025 Website
From Black Box to Bijection: Interpreting Machine Learning to Build a Zeta Map Algorithm Combinatorics, Transformer arXiv 2025
From Euler to AI: Unifying Formulas for Mathematical Constants Number Theory, LLM arXiv 2025 Code
FrontierMath: A Benchmark for Evaluating Advanced Mathematical Reasoning in AI Benchmark, LLM arXiv 2024 Website
GAUSS: Benchmarking Structured Mathematical Skills for Large Language Models Benchmark, LLM arXiv 2025 Website
Generating conjectures on fundamental constants with the Ramanujan Machine Number Theory Nature 2021 Code
Generative AI for brane configurations and coamoeba Mathematical Physics, VAE Physical Review D 2025
Geometric Generality of Transformer-Based Gröbner Basis Computation Algebraic Geometry, Transformer Artificial Intelligence and Mathematics Research 2026 arXiv
Global Lyapunov functions: a long-standing open problem in mathematics, with symbolic transformers Differential Equations, Transformer NeurIPS 2024 Code
Gödel Test: Can Large Language Models Solve Easy Conjectures? Discrete Mathematics, LLM arXiv 2025
HARDMath: A Benchmark Dataset for Challenging Problems in Applied Mathematics Benchmark, LLM arXiv 2024 Code
Hilbert series, machine learning, and applications to physics Algebraic Geometry, Mathematical Physics, Neural Network Physics Letters B 2024 Code
Humanity's Last Exam Benchmark, LLM Nature 2026 Website arXiv
Illuminating new and known relations between knot invariants Knot Theory, Neural Network Machine Learning: Science and Technology 2024 Code arXiv
IMProofBench: Benchmarking AI on Research-Level Mathematical Proof Generation Benchmark, LLM arXiv 2025 Website
In between myth and reality: AI for math -- a case study in category theory Survey, LLM arXiv 2025
Int2Int: a framework for mathematics with transformers Number Theory, Transformer arXiv 2025 Code
Interpretable Machine Learning for Kronecker Coefficients Representation Theory, Neural Network, Symbolic Computation, PCA, Transformer arXiv 2025
Irrationality of rapidly converging series: a problem of Erdős and Graham Number Theory, LLM arXiv 2026 Code
Lattice-Valued Bottleneck Duality Combinatorics arXiv 2024
Learning Euler factors of elliptic curves Number Theory, Transformer arXiv 2025
Learning Fast Monomial Orders for Gröbner Basis Computations Algebraic Geometry, Symbolic Computation, RL arXiv 2026 Code
Learning Formal Mathematics From Intrinsic Motivation ATP, LLM Advances in Neural Information Processing Systems 2024 Code arXiv
Learning Fricke signs from Maass form Coefficients Number Theory, LDA arXiv 2025
Learning knot invariants across dimensions Knot Theory, Neural Network SciPost Physics 2023 Code arXiv
Learning the Inverse Ryu--Takayanagi Formula with Transformers Mathematical Physics, Transformer arXiv 2025 Code
Learning to compute Gröbner Basis Algebraic Geometry, Transformer NeurIPS 2024 Code
Learning Topological Invariance Knot Theory, Neural Network, Transformer arXiv 2025
Linear algebra with transformers Linear Algebra, Symbolic Computation, Transformer TMLR 2022 Code
Lower bounds for multivariate independence polynomials and their generalisations Combinatorics, LLM arXiv 2026 Code
Machine Learning Approaches to the Shafarevich-Tate Group of Elliptic Curves Number Theory, Neural Network, Decision Tree IJDSMS 2024 Code
Machine learning assisted exploration for affine Deligne-Lusztig varieties Number Theory, Representation Theory Peking Math J 2024 Code
Machine learning BPS spectra and the gap conjecture Mathematical Physics, PCA Physical Review D 2024
Machine learning Calabi-Yau hypersurfaces Mathematical Physics Physical Review D 2022
Machine learning class numbers of real quadratic fields Number Theory, Interpretability IJDSMS 2023
Machine learning detects terminal singularities Algebraic Geometry NeurIPS 2023 Code Talk
Machine learning for complete intersection Calabi-Yau manifolds: a methodological study Mathematical Physics Physical Review D 2021
Machine learning for modular multiplication Number Theory, Transformer arXiv 2024 Code
Machine Learning in the String Landscape Mathematical Physics JHEP 2017
Machine learning invariants of arithmetic curves Number Theory, Logistic Regression, Random Forest Journal of Symbolic Computation 2023
Machine Learning Kreuzer–Skarke Calabi–Yau Threefolds Mathematical Physics, Algebraic Geometry, Neural Network International Journal of Modern Physics A 2025 arXiv
Machine learning Kronecker coefficients Representation Theory, CNN, Decision Tree IJDSMS 2023
Machine learning line bundle cohomologies of hypersurfaces in toric varieties Algebraic Geometry Physics Letters B 2019
Machine Learning Number Fields Number Theory, Neural Network, Random Forest MCGD 2022
Machine learning of Calabi-Yau volumes Mathematical Physics, CNN, Linear Regression Physical Review D 2017
Machine learning Sasakian G2 topology on contact Calabi-Yau 7-manifolds Mathematical Physics, Neural Network Physics Letters B 2024 Code
Machine learning the dimension of a Fano variety Algebraic Geometry Nature Communications 2023 Code
Machine Learning the vanishing order of rational L-functions Number Theory, LDA, Neural Network arXiv 2025
Machine-learning dessins d'enfants: explorations via modular and Seiberg–Witten curves Algebraic Geometry, Mathematical Physics Journal of Physics A 2021
Machine-learning Sato-Tate conjecture Number Theory Journal of Symbolic Computation 2022
Machines Learn Number Fields, But How? The Case of Galois Groups Number Theory, Logistic Regression, Decision Tree, Interpretability arXiv 2025 Code
Mathematical Capabilities of ChatGPT Benchmark, LLM NeurIPS 2023 Code arXiv
Mathematical discoveries from program search with large language models Combinatorics, LLM Nature 2024 Code
Mathematical discovery in the age of artificial intelligence Survey Nature Physics 2025
Mathematical exploration and discovery at scale Combinatorics, Analysis, Number Theory, Discrete Geometry, LLM arXiv 2025 Code
MiniF2F: a cross-system benchmark for formal Olympiad-level mathematics Benchmark, ATP ICLR 2022
Murmurations of Elliptic Curves Number Theory, PCA Experimental Mathematics 2024 Quanta
Neural network approximations for Calabi-Yau metrics Mathematical Physics, Neural Network JHEP 2022
New Calabi–Yau manifolds from genetic algorithms Algebraic Geometry, Mathematical Physics, Genetic Algorithm Physics Letters B 2024
Parity of k-differentials in genus zero and one Algebraic Geometry, Number Theory, ATP arXiv 2026 Code
PatternBoost: Constructions in Mathematics with a Little Help from AI Discrete Geometry, Combinatorics, Transformer, RL arXiv 2024 Code
Point Convergence of Nesterov's Accelerated Gradient Method: An AI-Assisted Proof Optimization Theory, LLM arXiv 2025
Predicting root numbers with neural networks Number Theory, RNN, CNN IJDSMS 2024
Proof or Bluff? Evaluating LLMs on 2025 USA Math Olympiad Benchmark, LLM arXiv 2025
ProofNet: Autoformalizing and Formally Proving Undergraduate-Level Mathematics Benchmark, ATP arXiv 2023
Putnam-AXIOM: A Functional and Static Benchmark for Measuring Higher Level Mathematical Reasoning in LLMs Benchmark, LLM arXiv 2025
PutnamBench: Evaluating Neural Theorem-Provers on the Putnam Mathematical Competition Benchmark, ATP NeurIPS 2024 Code Website arXiv
R-equivalence on Cubic Surfaces I: Existing Cases with Non-Trivial Universal Equivalence Algebraic Geometry, LLM arXiv 2026
Ranks of elliptic curves and deep neural networks Number Theory, CNN Research in Number Theory 2023 Code
RealMath: A Continuous Benchmark for Evaluating Language Models on Research-Level Mathematics Benchmark, LLM NeurIPS 2025
Reinforced Generation of Combinatorial Structures: Hardness of Approximation Computational Complexity, Combinatorics, LLM arXiv 2025
Reinforcement Learning the Chromatic Symmetric Function Graph Theory, RL arXiv 2024 Code
Resolution of Erdős Problem #728: a writeup of Aristotle's Lean proof Number Theory, LLM, ATP arXiv 2026
Rigor with Machine Learning from Field Theory to the Poincaré Conjecture Geometry, Mathematical Physics Nature Reviews Physics 2024
Searching for ribbons with machine learning Geometry, Bayesian Optimization, RL, Neural Network Machine Learning Science and Technology 2025 Code
Semi-Autonomous Mathematics Discovery with Gemini: A Case Study on the Erdős Problems Combinatorics, Number Theory, LLM arXiv 2026 Code
Solving a Research Problem in Mathematical Statistics with AI Assistance Statistics, LLM arXiv 2025
Strongly Polynomial Time Complexity of Policy Iteration for L-inf Robust MDPs Computational Complexity, LLM arXiv 2026 Code
Studying number theory with deep learning: a case study with the Möbius and squarefree indicator functions Number Theory, Transformer arXiv 2025 Code
The Equational Theories Project: Advancing Collaborative Mathematical Research at Scale Algebra, LLM, CNN, ATP arXiv 2025 Code
The motivic class of the space of genus 0 maps to the flag variety Algebraic Geometry, LLM arXiv 2026
The Optimist: Towards Fully Automated Graph Theory Research Graph Theory, Optimization Theory arXiv 2024 Code
The Simplicity of Hodge Bundle Algebraic Geometry, LLM arXiv 2026 Code
Towards Autonomous Mathematics Research Survey, LLM arXiv 2026
Unsupervised Discovery of Formulas for Mathematical Constants Number Theory NeurIPS 2024 Code
What makes math problems hard for reinforcement learning: a case study Group Theory, RL, Transformer arXiv 2024 Code