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

30 papers, page 1 of 1

1. CVPR 2023BKinD-3D: Self-Supervised 3D Keypoint Discovery From Multi-View Videos
2. CVPR 2023Bootstrap Your Own Prior: Towards Distribution-Agnostic Novel Class Discovery
3. CVPR 2023Dynamic Conceptional Contrastive Learning for Generalized Category Discovery
4. CVPR 2023Hi-LASSIE: High-Fidelity Articulated Shape and Skeleton Discovery From Sparse Image Ensemble
5. CVPR 2023Object Discovery From Motion-Guided Tokens
6. CVPR 2023On-the-Fly Category Discovery
7. CVPR 2023PartMix: Regularization Strategy To Learn Part Discovery for Visible-Infrared Person Re-Identification
8. CVPR 2023PromptCAL: Contrastive Affinity Learning via Auxiliary Prompts for Generalized Novel Category Discovery
9. CVPR 2023SuperDisco: Super-Class Discovery Improves Visual Recognition for the Long-Tail
10. CVPR 2023The Differentiable Lens: Compound Lens Search Over Glass Surfaces and Materials for Object Detection
11. ICLR 2023Context-enriched molecule representations improve few-shot drug discovery
12. ICLR 2023DAG Learning on the Permutahedron
13. ICLR 2023Improving the imputation of missing data with Markov Blanket discovery
14. ICLR 2023Neuroevolution is a Competitive Alternative to Reinforcement Learning for Skill Discovery
15. ICML 2023Causal Discovery with Latent Confounders Based on Higher-Order Cumulants
16. ICML 2023Deep Temporal Sets with Evidential Reinforced Attentions for Unique Behavioral Pattern Discovery
17. ICML 2023DiscoBAX - Discovery of optimal intervention sets in genomic experiment design
18. ICML 2023Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
19. ICML 2023Exploring Model Dynamics for Accumulative Poisoning Discovery
20. ICML 2023Generative Adversarial Symmetry Discovery
21. ICML 2023Invariant Slot Attention: Object Discovery with Slot-Centric Reference Frames
22. ICML 2023Layered State Discovery for Incremental Autonomous Exploration
23. ICML 2023Nonlinear Causal Discovery with Latent Confounders
24. ICML 2023Unsupervised Skill Discovery for Learning Shared Structures across Changing Environments
25. NeurIPS 2023An Optimization-based Approach To Node Role Discovery in Networks: Approximating Equitable Partitions
26. NeurIPS 2023BayesDAG: Gradient-Based Posterior Inference for Causal Discovery
27. NeurIPS 2023Error Discovery By Clustering Influence Embeddings
28. NeurIPS 2023Homotopy-based training of NeuralODEs for accurate dynamics discovery
29. NeurIPS 2023M$^2$Hub: Unlocking the Potential of Machine Learning for Materials Discovery
30. NeurIPS 2023Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials

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.