分子建模论文趋势 2023–2026
分子性质与生成
统计范围：NeurIPS、ICLR、ICML、CVPR 四个会议，2023–2026 年，共 1,038 篇被归入该主题的论文。
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。
各会议论文数
按年份和会议统计
| 年份 | NeurIPS | ICLR | ICML | CVPR | 合计 |
|---|---|---|---|---|---|
| 2023 | 27 | 44 | 21 | 45 | 137 |
| 2024 | 78 | 38 | 60 | 31 | 207 |
| 2025 | 132 | 80 | 63 | 46 | 321 |
| 2026 | 114 | 90 | 107 | 62 | 373 |
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 1,038 篇，第 10 / 21 页
- ICLR 2025Generative Verifiers: Reward Modeling as Next-Token Prediction
- ICLR 2025Generator Matching: Generative modeling with arbitrary Markov processes
- ICLR 2025GridMix: Exploring Spatial Modulation for Neural Fields in PDE Modeling
- ICLR 2025Group Ligands Docking to Protein Pockets
- ICLR 2025HELM: Hierarchical Encoding for mRNA Language Modeling
- ICLR 2025HGM³: Hierarchical Generative Masked Motion Modeling with Hard Token Mining
- ICLR 2025InversionGNN: A Dual Path Network for Multi-Property Molecular Optimization
- ICLR 2025Iterative Substructure Extraction for Molecular Relational Learning with Interactive Graph Information Bottleneck
- ICLR 2025Learning Molecular Representation in a Cell
- ICLR 2025LICO: Large Language Models for In-Context Molecular Optimization
- ICLR 2025Limits of Deep Learning: Sequence Modeling through the Lens of Complexity Theory
- ICLR 2025MADGEN: Mass-Spec attends to De Novo Molecular generation
- ICLR 2025MamKO: Mamba-based Koopman operator for modeling and predictive control
- ICLR 2025Model-based Offline Reinforcement Learning with Lower Expectile Q-Learning
- ICLR 2025Modeling Complex System Dynamics with Flow Matching Across Time and Conditions
- ICLR 2025MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra
- ICLR 2025Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
- ICLR 2025NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation
- ICLR 2025On Discriminative Probabilistic Modeling for Self-Supervised Representation Learning
- ICLR 2025On the Benefits of Memory for Modeling Time-Dependent PDEs
- ICLR 2025PAL: Sample-Efficient Personalized Reward Modeling for Pluralistic Alignment
- ICLR 2025Perm: A Parametric Representation for Multi-Style 3D Hair Modeling
- ICLR 2025PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching
- ICLR 2025Poisson-Dirac Neural Networks for Modeling Coupled Dynamical Systems across Domains
- ICLR 2025Progressive Compression with Universally Quantized Diffusion Models
- ICLR 2025Provable unlearning in topic modeling and downstream tasks
- ICLR 2025Pyramidal Flow Matching for Efficient Video Generative Modeling
- ICLR 2025Rare event modeling with self-regularized normalizing flows: what can we learn from a single failure?
- ICLR 2025REBIND: Enhancing Ground-state Molecular Conformation Prediction via Force-Based Graph Rewiring
- ICLR 2025ReMatching Dynamic Reconstruction Flow
- ICLR 2025Rethinking Reward Modeling in Preference-based Large Language Model Alignment
- ICLR 2025Revolutionizing EMCCD Denoising through a Novel Physics-Based Learning Framework for Noise Modeling
- ICLR 2025Robust Barycenter Estimation using Semi-Unbalanced Neural Optimal Transport
- ICLR 2025Scaling Autonomous Agents via Automatic Reward Modeling And Planning
- ICLR 2025Score Forgetting Distillation: A Swift, Data-Free Method for Machine Unlearning in Diffusion Models
- ICLR 2025Simple ReFlow: Improved Techniques for Fast Flow Models
- ICLR 2025SMI-Editor: Edit-based SMILES Language Model with Fragment-level Supervision
- ICLR 2025SOAP: Improving and Stabilizing Shampoo using Adam for Language Modeling
- ICLR 2025Steering Masked Discrete Diffusion Models via Discrete Denoising Posterior Prediction
- ICLR 2025SymDiff: Equivariant Diffusion via Stochastic Symmetrisation
- ICLR 2025TFG-Flow: Training-free Guidance in Multimodal Generative Flow
- ICLR 2025The OMG dataset: An Open MetaGenomic corpus for mixed-modality genomic language modeling
- ICLR 2025The Same but Different: Structural Similarities and Differences in Multilingual Language Modeling
- ICLR 2025TopoLM: brain-like spatio-functional organization in a topographic language model
- ICLR 2025Trivialized Momentum Facilitates Diffusion Generative Modeling on Lie Groups
- ICLR 2025Uncertainty Modeling in Graph Neural Networks via Stochastic Differential Equations
- ICLR 2025UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
- ICLR 2025What is Wrong with Perplexity for Long-context Language Modeling?
- ICLR 2025Your Absorbing Discrete Diffusion Secretly Models the Conditional Distributions of Clean Data
- ICML 2025A Theoretical Framework For Overfitting In Energy-based Modeling
在 Claude、Cursor 里直接问这个趋势
接上 Paperlist MCP 后，写综述、挑方向或准备投稿时，不用离开对话框就能拿到这页的数字：每年各会议的论文数、增长倍数、涨得最快的子方向和代表论文，AI 会按你的问题整理。
可以直接复制这句话问 AI
用 paperlist 查分子建模在 NeurIPS 2023–2026 的论文趋势，哪一年涨得最快？
AI 会调用的工具：get_topic_stats {"topic": "molecular-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。