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 17 / 21 页
- ICML 2024Promises and Pitfalls of Generative Masked Language Modeling: Theoretical Framework and Practical Guidelines
- ICML 2024Quantum Implicit Neural Representations
- ICML 2024Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge
- ICML 2024Reinformer: Max-Return Sequence Modeling for Offline RL
- ICML 2024Repeat After Me: Transformers are Better than State Space Models at Copying
- ICML 2024Representing Molecules as Random Walks Over Interpretable Grammars
- ICML 2024Revitalizing Multivariate Time Series Forecasting: Learnable Decomposition with Inter-Series Dependencies and Intra-Series Variations Modeling
- ICML 2024Scalable Wasserstein Gradient Flow for Generative Modeling through Unbalanced Optimal Transport
- ICML 2024Sparse Inducing Points in Deep Gaussian Processes: Enhancing Modeling with Denoising Diffusion Variational Inference
- ICML 2024SparseTSF: Modeling Long-term Time Series Forecasting with *1k* Parameters
- ICML 2024SpikeLM: Towards General Spike-Driven Language Modeling via Elastic Bi-Spiking Mechanisms
- ICML 2024Statistically Optimal Generative Modeling with Maximum Deviation from the Empirical Distribution
- ICML 2024Stereo Risk: A Continuous Modeling Approach to Stereo Matching
- ICML 2024Stochastic positional embeddings improve masked image modeling
- ICML 2024Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks
- ICML 2024StrWAEs to Invariant Representations
- ICML 2024Surface-VQMAE: Vector-quantized Masked Auto-encoders on Molecular Surfaces
- ICML 2024TimeSiam: A Pre-Training Framework for Siamese Time-Series Modeling
- ICML 2024Towards Neural Architecture Search through Hierarchical Generative Modeling
- ICML 2024Triplet Interaction Improves Graph Transformers: Accurate Molecular Graph Learning with Triplet Graph Transformers
- ICML 2024UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
- ICML 2024Various Lengths, Constant Speed: Efficient Language Modeling with Lightning Attention
- ICML 2024VQDNA: Unleashing the Power of Vector Quantization for Multi-Species Genomic Sequence Modeling
- NeurIPS 20244DBInfer: A 4D Benchmarking Toolbox for Graph-Centric Predictive Modeling on RDBs
- NeurIPS 2024A probability contrastive learning framework for 3D molecular representation learning
- NeurIPS 2024Advancing Spiking Neural Networks for Sequential Modeling with Central Pattern Generators
- NeurIPS 2024Approximation Rate of the Transformer Architecture for Sequence Modeling
- NeurIPS 2024AROMA: Preserving Spatial Structure for Latent PDE Modeling with Local Neural Fields
- NeurIPS 2024Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization
- NeurIPS 2024Block Transformer: Global-to-Local Language Modeling for Fast Inference
- NeurIPS 2024Bridging Geometric States via Geometric Diffusion Bridge
- NeurIPS 2024Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation
- NeurIPS 2024CODA: A Correlation-Oriented Disentanglement and Augmentation Modeling Scheme for Better Resisting Subpopulation Shifts
- NeurIPS 2024Collaborative Cognitive Diagnosis with Disentangled Representation Learning for Learner Modeling
- NeurIPS 2024CYCLO: Cyclic Graph Transformer Approach to Multi-Object Relationship Modeling in Aerial Videos
- NeurIPS 2024Decision Mamba: Reinforcement Learning via Hybrid Selective Sequence Modeling
- NeurIPS 2024Decomposable Transformer Point Processes
- NeurIPS 2024Diffusion Forcing: Next-token Prediction Meets Full-Sequence Diffusion
- NeurIPS 2024Discrete Flow Matching
- NeurIPS 2024Discrete Modeling via Boundary Conditional Diffusion Processes
- NeurIPS 2024EigenVI: score-based variational inference with orthogonal function expansions
- NeurIPS 2024Equivariant Blurring Diffusion for Hierarchical Molecular Conformer Generation
- NeurIPS 2024ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation
- NeurIPS 2024Exploring Molecular Pretraining Model at Scale
- NeurIPS 2024eXponential FAmily Dynamical Systems (XFADS): Large-scale nonlinear Gaussian state-space modeling
- NeurIPS 2024Extracting Training Data from Molecular Pre-trained Models
- NeurIPS 2024Fisher Flow Matching for Generative Modeling over Discrete Data
- NeurIPS 2024FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational Learning
- NeurIPS 2024From Biased to Unbiased Dynamics: An Infinitesimal Generator Approach
- NeurIPS 2024From Transparent to Opaque: Rethinking Neural Implicit Surfaces with $\alpha$-NeuS
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。