分子建模论文趋势 2023–2026

分子性质与生成

统计范围：NeurIPS、ICLR、ICML、CVPR 四个会议，2023–2026 年，共 1,038 篇被归入该主题的论文。

主要结论

每年论文数

各会议论文数

按年份和会议统计

分子建模论文数，按年份和会议
年份NeurIPSICLRICMLCVPR合计
202327442145137
202478386031207
2025132806346321
20261149010762373

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

全部分子建模论文

年份全部2023202420252026
会议全部NeurIPSICLRICMLCVPR

共 251 篇，第 4 / 6 页

  1. ICML 2025OptMATH: A Scalable Bidirectional Data Synthesis Framework for Optimization Modeling
  2. ICML 2025Overcoming Vocabulary Mismatch: Vocabulary-agnostic Teacher Guided Language Modeling
  3. ICML 2025PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models
  4. ICML 2025Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation
  5. ICML 2025Quadruple Attention in Many-body Systems for Accurate Molecular Property Predictions
  6. ICML 2025Reaction Graph: Towards Reaction-Level Modeling for Chemical Reactions with 3D Structures
  7. ICML 2025Reinforcement Learning with Adaptive Reward Modeling for Expensive-to-Evaluate Systems
  8. ICML 2025Representation Surgery in Model Merging with Probabilistic Modeling
  9. ICML 2025Reward Modeling with Ordinal Feedback: Wisdom of the Crowd
  10. ICML 2025RISE: Radius of Influence based Subgraph Extraction for 3D Molecular Graph Explanation
  11. ICML 2025Self-Discriminative Modeling for Anomalous Graph Detection
  12. ICML 2025SepLLM: Accelerate Large Language Models by Compressing One Segment into One Separator
  13. ICML 2025Smooth Interpolation for Improved Discrete Graph Generative Models
  14. ICML 2025Sparse Autoencoders for Hypothesis Generation
  15. ICML 2025Symmetry-Driven Discovery of Dynamical Variables in Molecular Simulations
  16. ICML 2025Towards Escaping from Class Dependency Modeling for Multi-Dimensional Classification
  17. ICML 2025Visual Generation Without Guidance
  18. ICML 2025Wasserstein Flow Matching: Generative Modeling Over Families of Distributions
  19. ICML 2025WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction
  20. ICML 2025When to retrain a machine learning model
  21. ICML 2024A Fixed-Point Approach for Causal Generative Modeling
  22. ICML 2024An amortized approach to non-linear mixed-effects modeling based on neural posterior estimation
  23. ICML 2024Auto-Linear Phenomenon in Subsurface Imaging
  24. ICML 2024Caduceus: Bi-Directional Equivariant Long-Range DNA Sequence Modeling
  25. ICML 2024Can Mamba Learn How To Learn? A Comparative Study on In-Context Learning Tasks
  26. ICML 2024CoLoRA: Continuous low-rank adaptation for reduced implicit neural modeling of parameterized partial differential equations
  27. ICML 2024Conditional Normalizing Flows for Active Learning of Coarse-Grained Molecular Representations
  28. ICML 2024Contextualized Policy Recovery: Modeling and Interpreting Medical Decisions with Adaptive Imitation Learning
  29. ICML 2024Data-Efficient Molecular Generation with Hierarchical Textual Inversion
  30. ICML 2024Decomposing and Editing Predictions by Modeling Model Computation
  31. ICML 2024Discrete Diffusion Modeling by Estimating the Ratios of the Data Distribution
  32. ICML 2024Don't be so Negative! Score-based Generative Modeling with Oracle-assisted Guidance
  33. ICML 2024Equivariant Graph Neural Operator for Modeling 3D Dynamics
  34. ICML 2024ESM All-Atom: Multi-Scale Protein Language Model for Unified Molecular Modeling
  35. ICML 2024Expressivity and Generalization: Fragment-Biases for Molecular GNNs
  36. ICML 2024FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames
  37. ICML 2024Fewer Truncations Improve Language Modeling
  38. ICML 2024Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
  39. ICML 2024Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes
  40. ICML 2024GeoMFormer: A General Architecture for Geometric Molecular Representation Learning
  41. ICML 2024Hierarchical State Space Models for Continuous Sequence-to-Sequence Modeling
  42. ICML 2024Jacobian Regularizer-based Neural Granger Causality
  43. ICML 2024Lie Neurons: Adjoint-Equivariant Neural Networks for Semisimple Lie Algebras
  44. ICML 2024Mitigating Catastrophic Forgetting in Online Continual Learning by Modeling Previous Task Interrelations via Pareto Optimization
  45. ICML 2024Modeling Language Tokens as Functionals of Semantic Fields
  46. ICML 2024Mol-AE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective
  47. ICML 2024Neural SPH: Improved Neural Modeling of Lagrangian Fluid Dynamics
  48. ICML 2024Offline Transition Modeling via Contrastive Energy Learning
  49. ICML 2024On the Weight Dynamics of Deep Normalized Networks
  50. ICML 2024Partial Multi-View Multi-Label Classification via Semantic Invariance Learning and Prototype Modeling

在 Claude、Cursor 里直接问这个趋势

接上 Paperlist MCP 后，写综述、挑方向或准备投稿时，不用离开对话框就能拿到这页的数字：每年各会议的论文数、增长倍数、涨得最快的子方向和代表论文，AI 会按你的问题整理。

可以直接复制这句话问 AI

用 paperlist 查分子建模在 NeurIPS 2023–2026 的论文趋势，哪一年涨得最快？

AI 会调用的工具：get_topic_stats {"topic": "molecular-modeling"}

两分钟接入 Paperlist MCP（Claude Code、Cursor、Codex、ChatGPT）

常见问题

2023–2026 年四大会议一共有多少篇分子建模论文？
共 1,038 篇，按年份分别是 2023 年 137 篇、2024 年 207 篇、2025 年 321 篇、2026 年 373 篇。
NeurIPS 2026 有多少篇分子建模论文？
NeurIPS 2026 有 114 篇分子建模论文，上一届是 132 篇。
ICLR 2026 有多少篇分子建模论文？
ICLR 2026 有 90 篇分子建模论文，上一届是 80 篇。
ICML 2026 有多少篇分子建模论文？
ICML 2026 有 107 篇分子建模论文，上一届是 63 篇。
CVPR 2026 有多少篇分子建模论文？
CVPR 2026 有 62 篇分子建模论文，上一届是 46 篇。
哪个会议的分子建模论文最多？
NeurIPS，2023–2026 年共 351 篇。

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