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 63 篇，第 2 / 2 页

51. ICML 2025Representation Surgery in Model Merging with Probabilistic Modeling
52. ICML 2025Reward Modeling with Ordinal Feedback: Wisdom of the Crowd
53. ICML 2025RISE: Radius of Influence based Subgraph Extraction for 3D Molecular Graph Explanation
54. ICML 2025Self-Discriminative Modeling for Anomalous Graph Detection
55. ICML 2025SepLLM: Accelerate Large Language Models by Compressing One Segment into One Separator
56. ICML 2025Smooth Interpolation for Improved Discrete Graph Generative Models
57. ICML 2025Sparse Autoencoders for Hypothesis Generation
58. ICML 2025Symmetry-Driven Discovery of Dynamical Variables in Molecular Simulations
59. ICML 2025Towards Escaping from Class Dependency Modeling for Multi-Dimensional Classification
60. ICML 2025Visual Generation Without Guidance
61. ICML 2025Wasserstein Flow Matching: Generative Modeling Over Families of Distributions
62. ICML 2025WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction
63. ICML 2025When to retrain a machine learning model

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。