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 132 篇，第 3 / 3 页

101. NeurIPS 2025Reaction Prediction via Interaction Modeling of Symmetric Difference Shingle Sets
102. NeurIPS 2025Reasoning is Periodicity? Improving Large Language Models Through Effective Periodicity Modeling
103. NeurIPS 2025Rebalancing Return Coverage for Conditional Sequence Modeling in Offline Reinforcement Learning
104. NeurIPS 2025Reducing the Probability of Undesirable Outputs in Language Models Using Probabilistic Inference
105. NeurIPS 2025RoFt-Mol: Benchmarking Robust Fine-tuning with Molecular Graph Foundation Models
106. NeurIPS 2025Sampling 3D Molecular Conformers with Diffusion Transformers
107. NeurIPS 2025SAS: Simulated Attention Score
108. NeurIPS 2025Scalable and Cost-Efficient de Novo Template-Based Molecular Generation
109. NeurIPS 2025Scaling Up Liquid-Resistance Liquid-Capacitance Networks for Efficient Sequence Modeling
110. NeurIPS 2025scGeneScope: A Treatment-Matched Single Cell Imaging and Transcriptomics Dataset and Benchmark for Treatment Response Modeling
111. NeurIPS 2025ShapeCraft: LLM Agents for Structured, Textured and Interactive 3D Modeling
112. NeurIPS 2025Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression
113. NeurIPS 2025Solver-Informed RL: Grounding Large Language Models for Authentic Optimization Modeling
114. NeurIPS 2025Sparc3D: Sparse Representation and Construction for High-Resolution 3D Shapes Modeling
115. NeurIPS 2025SpatialLM: Training Large Language Models for Structured Indoor Modeling
116. NeurIPS 2025SSIMBaD: Sigma Scaling with SSIM-Guided Balanced Diffusion for AnimeFace Colorization
117. NeurIPS 2025Straight-Line Diffusion Model for Efficient 3D Molecular Generation
118. NeurIPS 2025Structure-Aware Fusion with Progressive Injection for Multimodal Molecular Representation Learning
119. NeurIPS 2025Symmetry-Preserving Conformer Ensemble Networks for Molecular Representation Learning
120. NeurIPS 2025Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization
121. NeurIPS 2025Text-to-Code Generation for Modular Building Layouts in Building Information Modeling
122. NeurIPS 2025THD-BAR: Topology Hierarchical Derived Brain Autoregressive Modeling for EEG Generic Representations
123. NeurIPS 2025Theoretical Benefit and Limitation of Diffusion Language Model
124. NeurIPS 2025Thousand Voices of Trauma: A Large-Scale Synthetic Dataset for Modeling Prolonged Exposure Therapy Conversations
125. NeurIPS 2025Time Series Generation Under Data Scarcity: A Unified Generative Modeling Approach
126. NeurIPS 2025Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling
127. NeurIPS 2025Training Robust Graph Neural Networks by Modeling Noise Dependencies
128. NeurIPS 2025TRIDENT: Tri-Modal Molecular Representation Learning with Taxonomic Annotations and Local Correspondence
129. NeurIPS 2025Uncertainty-Informed Meta Pseudo Labeling for Surrogate Modeling with Limited Labeled Data
130. NeurIPS 2025Understanding Representation Dynamics of Diffusion Models via Low-Dimensional Modeling
131. NeurIPS 2025Why Popular MOEAs are Popular: Proven Advantages in Approximating the Pareto Front
132. NeurIPS 2025WKV-sharing embraced random shuffle RWKV high-order modeling for pan-sharpening

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。