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

208 papers, page 3 of 5

101. ICLR 2025The Ramanujan Library - Automated Discovery on the Hypergraph of Integer Relations
102. ICLR 2025When Selection Meets Intervention: Additional Complexities in Causal Discovery
103. ICML 2025Active Learning for Efficient Discovery of Optimal Combinatorial Perturbations
104. ICML 2025AlphaQCM: Alpha Discovery in Finance with Distributional Reinforcement Learning
105. ICML 2025AtlasD: Automatic Local Symmetry Discovery
106. ICML 2025Bayesian Active Learning for Bivariate Causal Discovery
107. ICML 2025Continuous Bayesian Model Selection for Multivariate Causal Discovery
108. ICML 2025Explicit Discovery of Nonlinear Symmetries from Dynamic Data
109. ICML 2025Generalized Category Discovery via Reciprocal Learning and Class-Wise Distribution Regularization
110. ICML 2025Kinetic Langevin Diffusion for Crystalline Materials Generation
111. ICML 2025Latent Variable Causal Discovery under Selection Bias
112. ICML 2025Learning the Electronic Hamiltonian of Large Atomic Structures
113. ICML 2025Neural Discovery in Mathematics: Do Machines Dream of Colored Planes?
114. ICML 2025Open Materials Generation with Stochastic Interpolants
115. ICML 2025Since Faithfulness Fails: The Performance Limits of Neural Causal Discovery
116. NeurIPS 2025All that structure matches does not glitter
117. NeurIPS 2025An Efficient Local Search Approach for Polarized Community Discovery in Signed Networks
118. NeurIPS 2025AutoSciDACT: Automated Scientific Discovery through Contrastive Embedding and Hypothesis Testing
119. NeurIPS 2025CausalDynamics: A large‐scale benchmark for structural discovery of dynamical causal models
120. NeurIPS 2025Deciphering the Extremes: A Novel Approach for Pathological Long-tailed Recognition in Scientific Discovery
121. NeurIPS 2025FedLPA: Local Prior Alignment for Heterogeneous Federated Generalized Category Discovery
122. NeurIPS 2025Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition
123. NeurIPS 2025Generalized Category Discovery under Domain Shift: A Frequency Domain Perspective
124. NeurIPS 2025GLNCD: Graph-Level Novel Category Discovery
125. NeurIPS 2025Latent Principle Discovery for Language Model Self-Improvement
126. NeurIPS 2025MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search
127. NeurIPS 2025Partition to Evolve: Niching-enhanced Evolution with LLMs for Automated Algorithm Discovery
128. NeurIPS 2025Periodic Skill Discovery
129. NeurIPS 2025Revolutionizing Training-Free NAS: Towards Efficient Automatic Proxy Discovery via Large Language Models
130. NeurIPS 2025UMA: A Family of Universal Models for Atoms
131. CVPR 2024Active Generalized Category Discovery
132. CVPR 2024Contrastive Mean-Shift Learning for Generalized Category Discovery
133. CVPR 2024Eclipse: Disambiguating Illumination and Materials using Unintended Shadows
134. CVPR 2024Federated Generalized Category Discovery
135. CVPR 2024MatSynth: A Modern PBR Materials Dataset
136. CVPR 2024Novel Class Discovery for Ultra-Fine-Grained Visual Categorization
137. CVPR 2024Practical Measurements of Translucent Materials with Inter-Pixel Translucency Prior
138. CVPR 2024QUADify: Extracting Meshes with Pixel-level Details and Materials from Images
139. CVPR 2024Solving the Catastrophic Forgetting Problem in Generalized Category Discovery
140. CVPR 2024Understanding Video Transformers via Universal Concept Discovery
141. CVPR 2024Visual Concept Connectome (VCC): Open World Concept Discovery and their Interlayer Connections in Deep Models
142. ICLR 2024A Versatile Causal Discovery Framework to Allow Causally-Related Hidden Variables
143. ICLR 2024CoLiDE: Concomitant Linear DAG Estimation
144. ICLR 2024Federated Causal Discovery from Heterogeneous Data
145. ICLR 2024ODE Discovery for Longitudinal Heterogeneous Treatment Effects Inference
146. ICLR 2024One-hot Generalized Linear Model for Switching Brain State Discovery
147. ICLR 2024Scalable Diffusion for Materials Generation
148. ICLR 2024Towards Faithful Explanations: Boosting Rationalization with Shortcuts Discovery
149. ICML 2024A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?
150. ICML 2024Amortized Equation Discovery in Hybrid Dynamical Systems

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.