药物发现论文趋势 2023–2026

主要结论

• 药物发现论文从 2023 年的 79 篇增长到 2026 年的 211 篇，三年间扩大到约 2.7 倍。
• NeurIPS 是发药物发现论文最多的会议，2023–2026 年共 234 篇，占四个会议总量的 40%。
• 交叉方向里涨得最快的是应用 · chemistry physics and earth sciences：同时属于两个主题的论文从 2023 年的 1 篇增至 2026 年的 42 篇。
• 在「健康与生命科学」的 5 个主题里，它的 2026 年论文数排第 2；同组增长最快的临床 NLP是 3.2 倍，药物发现是 2.7 倍。

代表论文

按年份和会议均匀挑选，方便快速看到每一届的样貌

• NeurIPS 2026ACER: Towards Generalizable Protein-ligand Co-folding
• ICML 2026Adaptive Symmetry Discovery for Dynamical System Identification
• ICLR 2026Bures Generalized Category Discovery
• CVPR 2026Learning Like Humans Analogical Concept Learning for Generalized Category Discovery
• NeurIPS 2025AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
• ICML 2025Explicit Discovery of Nonlinear Symmetries from Dynamic Data
• ICLR 2025CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
• CVPR 2025Adaptive Part Learning for Fine-Grained Generalized Category Discovery: A Plug-and-Play Enhancement
• NeurIPS 2024A SARS-CoV-2 Interaction Dataset and VHH Sequence Corpus for Antibody Language Models
• ICML 2024Amortized Equation Discovery in Hybrid Dynamical Systems
• ICLR 2024Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
• CVPR 2024Federated Generalized Category Discovery
• NeurIPS 2023An Optimization-based Approach To Node Role Discovery in Networks: Approximating Equitable Partitions
• ICML 2023A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
• ICLR 2023Context-enriched molecule representations improve few-shot drug discovery
• CVPR 2023Bootstrap Your Own Prior: Towards Distribution-Agnostic Novel Class Discovery
• NeurIPS 2026Active Flow Expansion for Out-of-Distribution Discovery: from Theory to Molecules
• ICML 2026CURE: Consistency-under-Unified Semantic Regularization for Generalized Category Discovery
• ICLR 2026Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
• CVPR 2026TAR Token-Aware Refinement for Fine-grained Generalized Category Discovery

全部药物发现论文

共 578 篇，第 2 / 12 页

51. ICML 2026Asymmetric Contrastive Objectives for Efficient Phenotypic Screening
52. ICML 2026Automatic Pruning Discovery for Large Language Models
53. ICML 2026AutoNumerics-Zero: Automated Discovery of State-of-the-Art Mathematical Functions
54. ICML 2026Behavioral Mode Discovery for Fine-tuning Multimodal Generative Policies
55. ICML 2026Causal Discovery for Irregularly Time Series with Consistency Guarantees
56. ICML 2026CauScale: Neural Causal Discovery at Scale
57. ICML 2026CB-SLICE: Concept-Based Interpretable Error Slice Discovery
58. ICML 2026COLLIE: Guiding Skill Discovery in Semantically Coherent Latent Space
59. ICML 2026Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design
60. ICML 2026Coordinated Disentanglement with Iterative Mode Discovery Under Hidden Correlations
61. ICML 2026CURE: Consistency-under-Unified Semantic Regularization for Generalized Category Discovery
62. ICML 2026DeCoDe: Decoupling Binding Position and Molecular Conformation in 3D Ligand Diffusion for Structure-Based Drug Design
63. ICML 2026DeltaEvolve: Accelerating Scientific Discovery through Momentum-Driven Evolution
64. ICML 2026Demystifying Multimodal Biomolecular Co-design With Intrinsic Geodesic Coupling
65. ICML 2026Discovering Symmetry Groups with Flow Matching
66. ICML 2026EvoEGF-Mol: Evolving Exponential Geodesic Flow for Structure-based Drug Design
67. ICML 2026FlexiFlow: decomposable flow matching for generation of flexible molecular ensemble
68. ICML 2026From Holo Pockets to Electron Density: GPT-style Drug Design with Density
69. ICML 2026Game-Theoretic Co-Evolution for LLM-Based Heuristic Discovery
70. ICML 2026Generalized Boundary FDR Control under Arbitrary Dependence: An Approach on Closure Principle
71. ICML 2026Geometric Pocket-Centric Protein Encoding for Polypharmacology-Guided Multi-Target Drug Design
72. ICML 2026Global Directional Priors with Local Statistical Validation for Scalable Causal Discovery
73. ICML 2026Identifying Latent Concepts and Structures for Generalized Category Discovery
74. ICML 2026Interpretable Discovery of One-parameter Subgroups: A Modular Framework for Elliptical, Hyperbolic, and Parabolic Symmetries
75. ICML 2026Interpretable Neural ODEs for Gene Regulatory Network Discovery under Perturbations
76. ICML 2026LakeQA: An Exploratory QA Benchmark over a Million-Scale Data Lake
77. ICML 2026Learning Interpretable Options by Identifying Reward Diffusion Bottlenecks in Reinforcement Learning
78. ICML 2026Learning the Interaction Prior for Protein-Protein Interaction Prediction: A Model-Agnostic Approach
79. ICML 2026Many Needles in a Haystack: Active Hit Discovery for Perturbation Experiments
80. ICML 2026MOOSE-Star: Unlocking Tractable Training for Scientific Discovery by Breaking the Complexity Barrier
81. ICML 2026Multi-View Causal Discovery without Non-Gaussianity: Identifiability and Algorithms
82. ICML 2026One Intervention per Component is Enough: Towards Identifiability in Linear Stochastic Dynamics from Steady State
83. ICML 2026Optimal Pricing for Data-Augmented AutoML Marketplaces
84. ICML 2026OptMaster: A DAG-Based Framework for Formulation and Heuristic Discovery in Optimization
85. ICML 2026PACER: Acyclic Causal Discovery from Large-scale Interventional Data
86. ICML 2026PartCo: Part-Level Correspondence Priors Enhance Category Discovery
87. ICML 2026PDFBench: A Benchmark for De Novo Protein Design from Function
88. ICML 2026Power-Boosted Granger-Causal Discovery for Large Heterogeneous Panel Data
89. ICML 2026Principle-Evolvable Scientific Discovery via Uncertainty Minimization
90. ICML 2026Protein Circuit Tracing via Cross-layer Transcoders
91. ICML 2026Proteo-R1: Reasoning Foundation Models for De Novo Protein Design
92. ICML 2026Prototype Transformer: Towards Language Model Architectures Interpretable by Design
93. ICML 2026Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design
94. ICML 2026Regret-Based Federated Causal Discovery with Unknown Interventions
95. ICML 2026Reliable Confidence Alignment for Generalized Category Discovery
96. ICML 2026RL4RLA: Teaching ML to Discover Randomized Linear Algebra Algorithms Through Curriculum Design and Graph-Based Search
97. ICML 2026Root Cause Analysis of Failures in Microservices via Bayesian Root Cause Discovery
98. ICML 2026Skewness-Robust Causal Discovery in Location-Scale Noise Models
99. ICML 2026Split Group Knockoffs: Controlling False Discovery Rate in Transformational Group Sparsity
100. ICML 2026Steering Large Language Models through the DMTA Cycle: Structure-Based Drug Design via Knowledge-Driven Bi-Level Thompson Sampling

常见问题

2023–2026 年四大会议一共有多少篇药物发现论文？

共 578 篇，按年份分别是 2023 年 79 篇、2024 年 125 篇、2025 年 163 篇、2026 年 211 篇。

NeurIPS 2026 有多少篇药物发现论文？

NeurIPS 2026 有 100 篇药物发现论文，上一届是 64 篇。

ICLR 2026 有多少篇药物发现论文？

ICLR 2026 有 37 篇药物发现论文，上一届是 48 篇。

ICML 2026 有多少篇药物发现论文？

ICML 2026 有 63 篇药物发现论文，上一届是 39 篇。

CVPR 2026 有多少篇药物发现论文？

CVPR 2026 有 11 篇药物发现论文，上一届是 12 篇。

哪个会议的药物发现论文最多？

NeurIPS，2023–2026 年共 234 篇。