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

20 papers, page 1 of 1

1. ICML 2024A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?
2. ICML 2024Amortized Equation Discovery in Hybrid Dynamical Systems
3. ICML 2024Automated Statistical Model Discovery with Language Models
4. ICML 2024Bivariate Causal Discovery using Bayesian Model Selection
5. ICML 2024ByMI: Byzantine Machine Identification with False Discovery Rate Control
6. ICML 2024Causal Discovery via Conditional Independence Testing with Proxy Variables
7. ICML 2024Causal Discovery with Fewer Conditional Independence Tests
8. ICML 2024Drug Discovery with Dynamic Goal-aware Fragments
9. ICML 2024Entropy-Reinforced Planning with Large Language Models for Drug Discovery
10. ICML 2024Exploiting Negative Samples: A Catalyst for Cohort Discovery in Healthcare Analytics
11. ICML 2024FlowMM: Generating Materials with Riemannian Flow Matching
12. ICML 2024Foundations of Testing for Finite-Sample Causal Discovery
13. ICML 2024Intersectional Unfairness Discovery
14. ICML 2024Latent Space Symmetry Discovery
15. ICML 2024On the sample complexity of conditional independence testing with Von Mises estimator with application to causal discovery
16. ICML 2024Optimal Kernel Choice for Score Function-based Causal Discovery
17. ICML 2024Position: Data-driven Discovery with Large Generative Models
18. ICML 2024Score-Based Causal Discovery of Latent Variable Causal Models
19. ICML 2024Stable Differentiable Causal Discovery
20. ICML 2024Unsupervised Concept Discovery Mitigates Spurious Correlations

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.