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 4 / 21 页
- ICLR 2026Variational Autoencoding Discrete Diffusion with Enhanced Dimensional Correlations Modeling
- ICLR 2026Your Language Model Secretly Contains Personality Subnetworks
- ICML 2026$\texttt{PRISM}$:A 3D Probabilistic Neural Representation for Interpretable Shape Modeling
- ICML 2026Adaptive DNA Sequence Modeling via Synergistic Plasticity Units
- ICML 2026Agentic Framework for Epidemiological Modeling
- ICML 2026Alleviating Sparse Rewards by Modeling Step-Wise and Long-Term Sampling Effects in Flow-Based GRPO
- ICML 2026APIC: Orthogonalized Neuro-Symbolic Modeling for Nonlinear Dissipative Dynamics
- ICML 2026Asymmetric Multi-View Clustering with Hyperbolic Uncertainty Modeling
- ICML 2026Autoregressive Image Generation with Masked Bit Modeling
- ICML 2026BEAT: Tokenizing and Generating Symbolic Music by Uniform Temporal Steps
- ICML 2026Beyond Single Embedding: Modeling User Preferences as Distribution in Federated Recommendation
- ICML 2026Bi-Anchor Interpolation Solver for Accelerating Generative Modeling
- ICML 2026BioDynaSpec: Harmonic-Guided Spatio-Spectral Autoregressive Diffusion for Protein Dynamics Generation
- ICML 2026Bridging Time and Frequency: A Joint Modeling Framework for Irregular Multivariate Time Series Forecasting
- ICML 2026CARD: Coarse-to-fine Autoregressive Modeling with Radix-based Decomposition for Transferable Free Energy Estimation
- ICML 2026Causal Attention with Lookahead Keys
- ICML 2026Causal Modeling of Selection in Evolution
- ICML 2026Chamaileon: Cross-Context Binder Design with Contextualized Modeling and Mixed Sampling
- ICML 2026Characterizing the Predictive Impact of Modalities with Supervised Latent-Variable Modeling
- ICML 2026Coarse-Grained Boltzmann Generators
- ICML 2026Computationally-efficient Graph Modeling with Refined Graph Random Features
- ICML 2026Conditional Clifford-Steerable CNNs for PDE Modeling
- ICML 2026Consistent Diffusion Language Models
- ICML 2026Constructing Industrial-Scale Optimization Modeling Benchmark
- ICML 2026Context-level Language Modeling by Learning Predictive Context Embeddings
- ICML 2026Controlled SDEs for Long-Horizon Motion Generation under Latent Decision Uncertainty
- ICML 2026Coupled Cluster con MoLe: Molecular Orbital Learning for Neural Wavefunctions
- ICML 2026Credible Information Subset Decomposition: An End-to-End Multi-fidelity Learning Model by Modeling Label Information
- ICML 2026Cross-Subject Modeling for Widefield Calcium Imaging via Atlas-Aligned Spatiotemporal Tokenization
- ICML 2026Decomposition-Based Modular Conformal Prediction for Two-Stage Modeling
- ICML 2026Dynamic Fractal Mamba: A Neural Renormalization Group Flow for Scale-Invariant Sequence Modeling
- ICML 2026Efficient Continuous-Depth Modeling with GRU Equivalents
- ICML 2026EpiCoCo: De Novo Epitope Generation via MHC-Context Co-Modeling and Contrastive Affinity Guidance
- ICML 2026Explicit representation of germline and non-germline residues improves antibody language modeling
- ICML 2026FRIGID: Scaling Diffusion-Based Molecular Generation from Mass Spectra at Training and Inference Time
- ICML 2026Generalizing Multi-Scale Time-Series Modeling with a Single Operator
- ICML 2026GeoFlow: Geo-Aware Modeling of Inter-Area Relationships in Origin-Destination Flow Prediction and Generation
- ICML 2026Geometric Embedding Alignment via Curvature Matching in Transfer Learning
- ICML 2026Geometry-Guided Modeling of Foundation Features Enables Generalizable Object Shape Deformation Learning
- ICML 2026GHOST: Unmasking Phantom States in Mamba2 via Grouped Hidden-state Output-aware Selection & Truncation
- ICML 2026HieraScaffold: Learning Compact Hierarchical Representations for Scalable 4D LiDAR Generation
- ICML 2026HiST: A Hierarchical Sparse Transformer for Cross-Modal Spatial Transcriptomics Modeling
- ICML 2026HyperMLP: An Integrated Perspective for Sequence Modeling
- ICML 2026Improving Topic Modeling by Distilling Soft Labels from Language Models
- ICML 2026Infinite-Precision Autoregressive Modeling for Vector Graphics and Layouts
- ICML 2026Information-Theoretic Disentangled Latent Modeling with Conditional Diffusion for Incomplete Multi-View Clustering
- ICML 2026Kalman Linear Attention: Parallel Bayesian Filtering For Efficient Language Modeling and State Tracking
- ICML 2026KAST-BAR: Knowledge-Anchored Semantically-Dynamic Topology Brain Autoregressive Modeling for Universal Neural Interpretation
- ICML 2026KITE: Knowledge-Guided Probabilistic Modeling for Time Series Forecasting with Exogenous Variables
- ICML 2026Large-Scale Molecular Dynamics Simulations: Direct Interatomic Modeling with Dilated Message Passing
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。