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 16 / 21 页
- ICLR 2024NuwaDynamics: Discovering and Updating in Causal Spatio-Temporal Modeling
- ICLR 2024Proving Test Set Contamination in Black-Box Language Models
- ICLR 2024Removing Biases from Molecular Representations via Information Maximization
- ICLR 2024Representation Deficiency in Masked Language Modeling
- ICLR 2024RetroBridge: Modeling Retrosynthesis with Markov Bridges
- ICLR 2024SaProt: Protein Language Modeling with Structure-aware Vocabulary
- ICLR 2024SILO Language Models: Isolating Legal Risk In a Nonparametric Datastore
- ICLR 2024Sliced Denoising: A Physics-Informed Molecular Pre-Training Method
- ICLR 2024Topic Modeling as Multi-Objective Contrastive Optimization
- ICLR 2024TRAM: Bridging Trust Regions and Sharpness Aware Minimization
- ICLR 2024UniAdapter: Unified Parameter-Efficient Transfer Learning for Cross-modal Modeling
- ICLR 2024Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks
- ICLR 2024VDT: General-purpose Video Diffusion Transformers via Mask Modeling
- ICML 2024A Fixed-Point Approach for Causal Generative Modeling
- ICML 2024An amortized approach to non-linear mixed-effects modeling based on neural posterior estimation
- ICML 2024Auto-Linear Phenomenon in Subsurface Imaging
- ICML 2024Caduceus: Bi-Directional Equivariant Long-Range DNA Sequence Modeling
- ICML 2024Can Mamba Learn How To Learn? A Comparative Study on In-Context Learning Tasks
- ICML 2024CoLoRA: Continuous low-rank adaptation for reduced implicit neural modeling of parameterized partial differential equations
- ICML 2024Conditional Normalizing Flows for Active Learning of Coarse-Grained Molecular Representations
- ICML 2024Contextualized Policy Recovery: Modeling and Interpreting Medical Decisions with Adaptive Imitation Learning
- ICML 2024Data-Efficient Molecular Generation with Hierarchical Textual Inversion
- ICML 2024Decomposing and Editing Predictions by Modeling Model Computation
- ICML 2024Discrete Diffusion Modeling by Estimating the Ratios of the Data Distribution
- ICML 2024Don't be so Negative! Score-based Generative Modeling with Oracle-assisted Guidance
- ICML 2024Equivariant Graph Neural Operator for Modeling 3D Dynamics
- ICML 2024ESM All-Atom: Multi-Scale Protein Language Model for Unified Molecular Modeling
- ICML 2024Expressivity and Generalization: Fragment-Biases for Molecular GNNs
- ICML 2024FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames
- ICML 2024Fewer Truncations Improve Language Modeling
- ICML 2024Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
- ICML 2024Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes
- ICML 2024GeoMFormer: A General Architecture for Geometric Molecular Representation Learning
- ICML 2024Hierarchical State Space Models for Continuous Sequence-to-Sequence Modeling
- ICML 2024Jacobian Regularizer-based Neural Granger Causality
- ICML 2024Lie Neurons: Adjoint-Equivariant Neural Networks for Semisimple Lie Algebras
- ICML 2024Mitigating Catastrophic Forgetting in Online Continual Learning by Modeling Previous Task Interrelations via Pareto Optimization
- ICML 2024Modeling Language Tokens as Functionals of Semantic Fields
- ICML 2024Mol-AE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective
- ICML 2024Neural SPH: Improved Neural Modeling of Lagrangian Fluid Dynamics
- ICML 2024Offline Transition Modeling via Contrastive Energy Learning
- ICML 2024On the Weight Dynamics of Deep Normalized Networks
- ICML 2024Partial Multi-View Multi-Label Classification via Semantic Invariance Learning and Prototype Modeling
- ICML 2024Particle Denoising Diffusion Sampler
- ICML 2024PGODE: Towards High-quality System Dynamics Modeling
- ICML 2024Position: Compositional Generative Modeling: A Single Model is Not All You Need
- ICML 2024Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains
- ICML 2024Probabilistic Modeling of Interpersonal Coordination Processes
- ICML 2024Probabilistic Time Series Modeling with Decomposable Denoising Diffusion Model
- ICML 2024Prometheus: Out-of-distribution Fluid Dynamics Modeling with Disentangled Graph ODE
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。