Materials Discovery papers, 2023–2026

Key findings

• Materials Discovery went from 30 papers in 2023 to 77 in 2026, roughly 2.6x in three years.
• ICML publishes the most Materials Discovery work: 70 papers from 2023 to 2026, 34% of the four-venue total.
• The fastest-growing overlap is with Applications · chemistry physics and earth sciences: papers tagged with both rose from 1 in 2023 to 8 in 2026.
• Among the 5 topics under Climate and Physical Sciences, it ranks #3 by 2026 paper count; the fastest grower in the group, Weather Forecasting, is up 6.1x versus 2.6x here.

Representative papers

Spread across years and venues so every edition shows up

• NeurIPS 2026AMGenC: Generating Charge Balanced Amorphous Materials
• ICML 2026Adaptive Symmetry Discovery for Dynamical System Identification
• ICLR 2026Bures Generalized Category Discovery
• CVPR 2026TAR Token-Aware Refinement for Fine-grained Generalized Category Discovery
• NeurIPS 2025Generalized Category Discovery under Domain Shift: A Frequency Domain Perspective
• ICML 2025Neural Discovery in Mathematics: Do Machines Dream of Colored Planes?
• ICLR 2025DebGCD: Debiased Learning with Distribution Guidance for Generalized Category Discovery
• CVPR 2025Adaptive Part Learning for Fine-Grained Generalized Category Discovery: A Plug-and-Play Enhancement
• NeurIPS 2024WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
• ICML 2024Amortized Equation Discovery in Hybrid Dynamical Systems
• ICLR 2024Towards Faithful Explanations: Boosting Rationalization with Shortcuts Discovery
• CVPR 2024Eclipse: Disambiguating Illumination and Materials using Unintended Shadows
• NeurIPS 2023An Optimization-based Approach To Node Role Discovery in Networks: Approximating Equitable Partitions
• ICML 2023Deep Temporal Sets with Evidential Reinforced Attentions for Unique Behavioral Pattern Discovery
• ICLR 2023Improving the imputation of missing data with Markov Blanket discovery
• CVPR 2023Bootstrap Your Own Prior: Towards Distribution-Agnostic Novel Class Discovery
• NeurIPS 2026Ballad: Bandit-Based LLM Routing for Automated Heuristic Discovery
• ICML 2026CURE: Consistency-under-Unified Semantic Regularization for Generalized Category Discovery
• ICLR 2026From Concepts to Components: Concept-Agnostic Attention Module Discovery in Transformers
• CVPR 2026Decouple Your Discovery and Memory in Continual Generalized Category Discovery

All Materials Discovery papers

53 papers, page 1 of 2

1. CVPR 2025Adaptive Part Learning for Fine-Grained Generalized Category Discovery: A Plug-and-Play Enhancement
2. CVPR 2025AnomalyNCD: Towards Novel Anomaly Class Discovery in Industrial Scenarios
3. CVPR 2025DiSciPLE: Learning Interpretable Programs for Scientific Visual Discovery
4. CVPR 2025Factored-NeuS: Reconstructing Surfaces, Illumination, and Materials of Possibly Glossy Objects
5. CVPR 2025Hyperbolic Category Discovery
6. CVPR 2025Joint Out-of-Distribution Filtering and Data Discovery Active Learning
7. CVPR 2025Less Attention is More: Prompt Transformer for Generalized Category Discovery
8. CVPR 2025LIRM: Large Inverse Rendering Model for Progressive Reconstruction of Shape, Materials and View-dependent Radiance Fields
9. CVPR 2025Material Anything: Generating Materials for Any 3D Object via Diffusion
10. CVPR 2025Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery
11. CVPR 2025Towards Human-Understandable Multi-Dimensional Concept Discovery
12. CVPR 2025UNICL-SAM: Uncertainty-Driven In-Context Segmentation with Part Prototype Discovery
13. CVPR 2025Unsupervised Discovery of Facial Landmarks and Head Pose
14. ICLR 2025A Skewness-Based Criterion for Addressing Heteroscedastic Noise in Causal Discovery
15. ICLR 2025Conditional Testing based on Localized Conformal $p$-values
16. ICLR 2025DebGCD: Debiased Learning with Distribution Guidance for Generalized Category Discovery
17. ICLR 2025Designing Mechanical Meta-Materials by Learning Equivariant Flows
18. ICLR 2025ECD: A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials
19. ICLR 2025Efficient Automated Circuit Discovery in Transformers using Contextual Decomposition
20. ICLR 2025HiLo: A Learning Framework for Generalized Category Discovery Robust to Domain Shifts
21. ICLR 2025MatExpert: Decomposing Materials Discovery By Mimicking Human Experts
22. ICLR 2025SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystal Symmetry Classification Benchmark
23. ICLR 2025SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models
24. ICLR 2025The Ramanujan Library - Automated Discovery on the Hypergraph of Integer Relations
25. ICLR 2025When Selection Meets Intervention: Additional Complexities in Causal Discovery
26. ICML 2025Active Learning for Efficient Discovery of Optimal Combinatorial Perturbations
27. ICML 2025AlphaQCM: Alpha Discovery in Finance with Distributional Reinforcement Learning
28. ICML 2025AtlasD: Automatic Local Symmetry Discovery
29. ICML 2025Bayesian Active Learning for Bivariate Causal Discovery
30. ICML 2025Continuous Bayesian Model Selection for Multivariate Causal Discovery
31. ICML 2025Explicit Discovery of Nonlinear Symmetries from Dynamic Data
32. ICML 2025Generalized Category Discovery via Reciprocal Learning and Class-Wise Distribution Regularization
33. ICML 2025Kinetic Langevin Diffusion for Crystalline Materials Generation
34. ICML 2025Latent Variable Causal Discovery under Selection Bias
35. ICML 2025Learning the Electronic Hamiltonian of Large Atomic Structures
36. ICML 2025Neural Discovery in Mathematics: Do Machines Dream of Colored Planes?
37. ICML 2025Open Materials Generation with Stochastic Interpolants
38. ICML 2025Since Faithfulness Fails: The Performance Limits of Neural Causal Discovery
39. NeurIPS 2025All that structure matches does not glitter
40. NeurIPS 2025An Efficient Local Search Approach for Polarized Community Discovery in Signed Networks
41. NeurIPS 2025AutoSciDACT: Automated Scientific Discovery through Contrastive Embedding and Hypothesis Testing
42. NeurIPS 2025CausalDynamics: A large‐scale benchmark for structural discovery of dynamical causal models
43. NeurIPS 2025Deciphering the Extremes: A Novel Approach for Pathological Long-tailed Recognition in Scientific Discovery
44. NeurIPS 2025FedLPA: Local Prior Alignment for Heterogeneous Federated Generalized Category Discovery
45. NeurIPS 2025Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition
46. NeurIPS 2025Generalized Category Discovery under Domain Shift: A Frequency Domain Perspective
47. NeurIPS 2025GLNCD: Graph-Level Novel Category Discovery
48. NeurIPS 2025Latent Principle Discovery for Language Model Self-Improvement
49. NeurIPS 2025MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search
50. NeurIPS 2025Partition to Evolve: Niching-enhanced Evolution with LLMs for Automated Algorithm Discovery

FAQ

How many Materials Discovery papers were published at NeurIPS, ICLR, ICML and CVPR from 2023 to 2026?

208 in total: 30 in 2023, 48 in 2024, 53 in 2025, 77 in 2026.

How many Materials Discovery papers are at NeurIPS 2026?

NeurIPS 2026 has 33 Materials Discovery papers, versus 15 the year before.

How many Materials Discovery papers are at ICLR 2026?

ICLR 2026 has 11 Materials Discovery papers, versus 12 the year before.

How many Materials Discovery papers are at ICML 2026?

ICML 2026 has 27 Materials Discovery papers, versus 13 the year before.

How many Materials Discovery papers are at CVPR 2026?

CVPR 2026 has 6 Materials Discovery papers, versus 13 the year before.

Which conference publishes the most Materials Discovery papers?

ICML, with 70 papers from 2023 to 2026.