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 351 篇，第 4 / 8 页

151. NeurIPS 2025Energy Matching: Unifying Flow Matching and Energy-Based Models for Generative Modeling
152. NeurIPS 2025Epistemic Uncertainty Estimation in Regression Ensemble Models with Pairwise Epistemic Estimators
153. NeurIPS 2025Equi-mRNA: Protein Translation Equivariant Encoding for mRNA Language Models
154. NeurIPS 2025EvoBrain: Dynamic Multi-Channel EEG Graph Modeling for Time-Evolving Brain Networks
155. NeurIPS 2025FlashMD: long-stride, universal prediction of molecular dynamics
156. NeurIPS 2025Flexible Language Modeling in Continuous Space with Transformer-based Autoregressive Flows
157. NeurIPS 2025FlowNet: Modeling Dynamic Spatio-Temporal Systems via Flow Propagation
158. NeurIPS 2025FreqPolicy: Frequency Autoregressive Visuomotor Policy with Continuous Tokens
159. NeurIPS 2025From Bytes to Ideas: Language Modeling with Autoregressive U-Nets
160. NeurIPS 2025Future-Aware End-to-End Driving: Bidirectional Modeling of Trajectory Planning and Scene Evolution
161. NeurIPS 2025Generalizable Hand-Object Modeling from Monocular RGB Images via 3D Gaussians
162. NeurIPS 2025Generating Full-field Evolution of Physical Dynamics from Irregular Sparse Observations
163. NeurIPS 2025Generative Modeling of Full-Atom Protein Conformations using Latent Diffusion on Graph Embeddings
164. NeurIPS 2025Geometric Mixture Models for Electrolyte Conductivity Prediction
165. NeurIPS 2025GlobalTomo: A global dataset for physics-ML seismic wavefield modeling and FWI
166. NeurIPS 2025GSPN-2: Efficient Parallel Sequence Modeling
167. NeurIPS 2025Hankel Singular Value Regularization for Highly Compressible State Space Models
168. NeurIPS 2025HetSyn: Versatile Timescale Integration in Spiking Neural Networks via Heterogeneous Synapses
169. NeurIPS 2025How Does Sequence Modeling Architecture Influence Base Capabilities of Pre-trained Language Models? Exploring Key Architecture Design Principles to Avoid Base Capabilities Degradation
170. NeurIPS 2025Identifying multi-compartment Hodgkin-Huxley models with high-density extracellular voltage recordings
171. NeurIPS 2025IGD: Token Decisiveness Modeling via Information Gain in LLMs for Personalized Recommendation
172. NeurIPS 2025Implicit Generative Property Enhancer
173. NeurIPS 2025Improving Bilinear RNN with Closed-loop Control
174. NeurIPS 2025Interpretable Next-token Prediction via the Generalized Induction Head
175. NeurIPS 2025JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensemble Generation
176. NeurIPS 2025Joint Modeling of fMRI and EEG Imaging Using Ordinary Differential Equation-Based Hypergraph Neural Networks
177. NeurIPS 2025Joint Velocity-Growth Flow Matching for Single-Cell Dynamics Modeling
178. NeurIPS 2025KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
179. NeurIPS 2025LaM-SLidE: Latent Space Modeling of Spatial Dynamical Systems via Linked Entities
180. NeurIPS 2025Language Modeling by Language Models
181. NeurIPS 2025Learning 3D Anisotropic Noise Distributions Improves Molecular Force Fields
182. NeurIPS 2025Learning CAD Modeling Sequences via Projection and Part Awareness
183. NeurIPS 2025Learning conformational ensembles of proteins based on backbone geometry
184. NeurIPS 2025Less is More: an Attention-free Sequence Prediction Modeling for Offline Embodied Learning
185. NeurIPS 2025Linear Attention for Efficient Bidirectional Sequence Modeling
186. NeurIPS 2025LiteReality: Graphic-Ready 3D Scene Reconstruction from RGB-D Scans
187. NeurIPS 2025Local-Global Associative Frames for Symmetry-Preserving Crystal Structure Modeling
188. NeurIPS 2025LoRATv2: Enabling Low-Cost Temporal Modeling in One-Stream Trackers
189. NeurIPS 2025Modeling Microenvironment Trajectories on Spatial Transcriptomics with NicheFlow
190. NeurIPS 2025Modeling the Economic Impacts of AI Openness Regulation
191. NeurIPS 2025ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models
192. NeurIPS 2025MoFo: Empowering Long-term Time Series Forecasting with Periodic Pattern Modeling
193. NeurIPS 2025Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model
194. NeurIPS 2025MolVision: Molecular Property Prediction with Vision Language Models
195. NeurIPS 2025MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation
196. NeurIPS 2025Neural Hamiltonian Diffusions for Modeling Structured Geometric Dynamics
197. NeurIPS 2025Next Semantic Scale Prediction via Hierarchical Diffusion Language Models
198. NeurIPS 2025NOBLE - Neural Operator with Biologically-informed Latent Embeddings to Capture Experimental Variability in Biological Neuron Models
199. NeurIPS 2025NUTS: Eddy-Robust Reconstruction of Surface Ocean Nutrients via Two-Scale Modeling
200. NeurIPS 2025Omni-Mol: Multitask Molecular Model for Any-to-any Modalities

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。