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 78 篇，第 2 / 2 页

51. NeurIPS 2024Neural P$^3$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs
52. NeurIPS 2024On the Identifiability of Hybrid Deep Generative Models: Meta-Learning as a Solution
53. NeurIPS 2024On the Power of Decision Trees in Auto-Regressive Language Modeling
54. NeurIPS 2024Optimal Transport-based Labor-free Text Prompt Modeling for Sketch Re-identification
55. NeurIPS 2024Orchid: Flexible and Data-Dependent Convolution for Sequence Modeling
56. NeurIPS 2024Paloma: A Benchmark for Evaluating Language Model Fit
57. NeurIPS 2024Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling
58. NeurIPS 2024Pin-Tuning: Parameter-Efficient In-Context Tuning for Few-Shot Molecular Property Prediction
59. NeurIPS 2024ProSST: Protein Language Modeling with Quantized Structure and Disentangled Attention
60. NeurIPS 2024Protein-Nucleic Acid Complex Modeling with Frame Averaging Transformer
61. NeurIPS 2024ProtGO: Function-Guided Protein Modeling for Unified Representation Learning
62. NeurIPS 2024ProvNeRF: Modeling per Point Provenance in NeRFs as a Stochastic Field
63. NeurIPS 2024PURE: Prompt Evolution with Graph ODE for Out-of-distribution Fluid Dynamics Modeling
64. NeurIPS 2024RCDN: Towards Robust Camera-Insensitivity Collaborative Perception via Dynamic Feature-based 3D Neural Modeling
65. NeurIPS 2024RGFN: Synthesizable Molecular Generation Using GFlowNets
66. NeurIPS 2024Rule Extrapolation in Language Modeling: A Study of Compositional Generalization on OOD Prompts
67. NeurIPS 2024SDformer: Similarity-driven Discrete Transformer For Time Series Generation
68. NeurIPS 2024Semantic Routing via Autoregressive Modeling
69. NeurIPS 2024ShowMaker: Creating High-Fidelity 2D Human Video via Fine-Grained Diffusion Modeling
70. NeurIPS 2024SpaceByte: Towards Deleting Tokenization from Large Language Modeling
71. NeurIPS 2024Sparse Bayesian Generative Modeling for Compressive Sensing
72. NeurIPS 2024Stability and Generalizability in SDE Diffusion Models with Measure-Preserving Dynamics
73. NeurIPS 2024SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning
74. NeurIPS 2024Testing Calibration in Nearly-Linear Time
75. NeurIPS 2024Understanding the Expressive Power and Mechanisms of Transformer for Sequence Modeling
76. NeurIPS 2024Unified Guidance for Geometry-Conditioned Molecular Generation
77. NeurIPS 2024Unleashing the Denoising Capability of Diffusion Prior for Solving Inverse Problems
78. NeurIPS 2024Variational Flow Matching for Graph Generation

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。