分子建模论文趋势 2023–2026

主要结论

• 分子建模论文从 2023 年的 137 篇增长到 2026 年的 373 篇，三年间扩大到约 2.7 倍。
• NeurIPS 是发分子建模论文最多的会议，2023–2026 年共 351 篇，占四个会议总量的 34%。
• 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 5 篇增至 2026 年的 59 篇。
• 在「图与结构化数据」的 5 个主题里，它的 2026 年论文数排第 3；同组增长最快的时间序列是 3.2 倍，分子建模是 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 2026Atomic Trajectory Modeling with State Space Models for Biomolecular Dynamics
• ICML 2026Controlled SDEs for Long-Horizon Motion Generation under Latent Decision Uncertainty
• ICLR 2026A Scalable Inter-edge Correlation Modeling in CopulaGNN for Link Sign Prediction
• CVPR 2026CARE A Molecular-Guided Foundation Model with Adaptive Region Modeling for
• NeurIPS 20253D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding
• ICML 2025BAnG: Bidirectional Anchored Generation for Conditional RNA Design
• ICLR 20253D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling
• CVPR 2025Bridging Gait Recognition and Large Language Models Sequence Modeling
• NeurIPS 20244DBInfer: A 4D Benchmarking Toolbox for Graph-Centric Predictive Modeling on RDBs
• ICML 2024An amortized approach to non-linear mixed-effects modeling based on neural posterior estimation
• ICLR 2024$\texttt{NAISR}$: A 3D Neural Additive Model for Interpretable Shape Representation
• CVPR 2024EVS-assisted Joint Deblurring Rolling-Shutter Correction and Video Frame Interpolation through Sensor Inverse Modeling
• NeurIPS 2023Learning Invariant Molecular Representation in Latent Discrete Space
• ICML 2023Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies
• ICLR 2023$\mathcal{O}$-GNN: incorporating ring priors into molecular modeling
• CVPR 2023BAAM: Monocular 3D Pose and Shape Reconstruction With Bi-Contextual Attention Module and Attention-Guided Modeling
• NeurIPS 2026CausalBind: Causal Modeling and Learning for Protein-Molecule Virtual Screening
• ICML 2026Efficient Continuous-Depth Modeling with GRU Equivalents
• ICLR 2026Anime-Ready: Controllable 3D Anime Character Generation with Body-Aligned Component-Wise Garment Modeling
• CVPR 2026Continuous Exposure-Time Modeling for Realistic Atmospheric Turbulence Synthesis

全部分子建模论文

共 44 篇，第 1 / 1 页

1. ICLR 2023$\mathcal{O}$-GNN: incorporating ring priors into molecular modeling
2. ICLR 2023A Non-monotonic Self-terminating Language Model
3. ICLR 2023Augmentation Component Analysis: Modeling Similarity via the Augmentation Overlaps
4. ICLR 2023Bridge the Inference Gaps of Neural Processes via Expectation Maximization
5. ICLR 2023Clifford Neural Layers for PDE Modeling
6. ICLR 2023Continuous-Discrete Convolution for Geometry-Sequence Modeling in Proteins
7. ICLR 2023CROM: Continuous Reduced-Order Modeling of PDEs Using Implicit Neural Representations
8. ICLR 2023Data Continuity Matters: Improving Sequence Modeling with Lipschitz Regularizer
9. ICLR 2023De Novo Molecular Generation via Connection-aware Motif Mining
10. ICLR 2023Deep Generative Modeling on Limited Data with Regularization by Nontransferable Pre-trained Models
11. ICLR 2023Designing BERT for Convolutional Networks: Sparse and Hierarchical Masked Modeling
12. ICLR 2023DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
13. ICLR 2023Diffusion Probabilistic Modeling of Protein Backbones in 3D for the motif-scaffolding problem
14. ICLR 2023Effectively Modeling Time Series with Simple Discrete State Spaces
15. ICLR 2023Enhancing the Inductive Biases of Graph Neural ODE for Modeling Physical Systems
16. ICLR 2023Equivariant Energy-Guided SDE for Inverse Molecular Design
17. ICLR 2023Formal Mathematics Statement Curriculum Learning
18. ICLR 2023How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated Molecules
19. ICLR 2023Hungry Hungry Hippos: Towards Language Modeling with State Space Models
20. ICLR 2023Language Models are Realistic Tabular Data Generators
21. ICLR 2023Learning Harmonic Molecular Representations on Riemannian Manifold
22. ICLR 2023Learning Locality and Isotropy in Dialogue Modeling
23. ICLR 2023Long Range Language Modeling via Gated State Spaces
24. ICLR 2023MapTR: Structured Modeling and Learning for Online Vectorized HD Map Construction
25. ICLR 2023Masked Frequency Modeling for Self-Supervised Visual Pre-Training
26. ICLR 2023Masked Image Modeling with Denoising Contrast
27. ICLR 2023Memorization-Dilation: Modeling Neural Collapse Under Noise
28. ICLR 2023MeshDiffusion: Score-based Generative 3D Mesh Modeling
29. ICLR 2023Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction
30. ICLR 2023MICN: Multi-scale Local and Global Context Modeling for Long-term Series Forecasting
31. ICLR 2023Modeling content creator incentives on algorithm-curated platforms
32. ICLR 2023Modeling the Data-Generating Process is Necessary for Out-of-Distribution Generalization
33. ICLR 2023Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching
34. ICLR 2023Multiple sequence alignment as a sequence-to-sequence learning problem
35. ICLR 2023Neural Image-based Avatars: Generalizable Radiance Fields for Human Avatar Modeling
36. ICLR 2023One Transformer Can Understand Both 2D & 3D Molecular Data
37. ICLR 2023Pre-training via Denoising for Molecular Property Prediction
38. ICLR 2023Preserving Pre-trained Features Helps Calibrate Fine-tuned Language Models
39. ICLR 2023Simplified State Space Layers for Sequence Modeling
40. ICLR 2023The Surprising Computational Power of Nondeterministic Stack RNNs
41. ICLR 2023TimesNet: Temporal 2D-Variation Modeling for General Time Series Analysis
42. ICLR 2023Toeplitz Neural Network for Sequence Modeling
43. ICLR 2023Uni-Mol: A Universal 3D Molecular Representation Learning Framework
44. ICLR 2023What Makes Convolutional Models Great on Long Sequence Modeling?

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。