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 373 篇，第 5 / 8 页
- ICML 2026Latent Laplace Diffusion for Irregular Multivariate Time Series
- ICML 2026Latent-Guided Cooperative Energy-Based Models
- ICML 2026LDARNet: DNA Adaptive Representation Network with Learnable Tokenization for Genomic Modeling
- ICML 2026LeakGFN: Robust Molecular Generation in Generative Flow Networks via Flow Decomposition
- ICML 2026Learning Compressed Shape-Aware Molecular Representations for Virtual Screening
- ICML 2026Learning Hamiltonian Flow Maps: Mean Flow Consistency for Large-Timestep Molecular Dynamics
- ICML 2026Modeling Long-Tail Relations in the Operating Room via In-Context Multimodal Learning
- ICML 2026MODUS: Decoder-only Any-to-Any Modeling of Diverse Modalities
- ICML 2026MOES-Pred: Molecular Structural Representation Learning by Adaptive Energy-Sentinel Vibration for Generalized Property Prediction
- ICML 2026MolAlign3D: Enhancing Fixed-Dimensional E(3)-Equivariant Latent Space for High-Fidelity 3D Molecular Reconstruction and Editing
- ICML 2026MTNL: A Unified Modeling Perspective for Enhancing Tensor Network Learning
- ICML 2026Multimodal Crystal Flow: Any-to-Any Modality Generation for Unified Crystal Modeling
- ICML 2026Multiple Choice Learning of Low-Rank Adapters for Language Modeling
- ICML 2026MuonSSM: Orthogonalizing State Space Models for Sequence Modeling
- ICML 2026Nested birth-death processes are competitive with neural networks as time-dependent models of protein evolution
- ICML 2026Neural Dispersion on Graphs
- ICML 2026Olaf-World: Orienting Latent Actions for Video World Modeling
- ICML 2026OmniMoE: An Efficient MoE by Orchestrating Atomic Experts at Scale
- ICML 2026OPT-Engine: Benchmarking the Limits of LLMs in Optimization Modeling via Complexity Scaling
- ICML 2026Opt-Verifier: Unleashing the Power of LLMs for Optimization Modeling via Dual-Side Verification
- ICML 2026PerturbDiff: Functional Diffusion for Single-Cell Perturbation Modeling
- ICML 2026PonderLM-2: Pretraining LLM with Latent Thoughts in Continuous Space
- ICML 2026Possibilistic Predictive Uncertainty for Deep Learning
- ICML 2026Preconditioned DeltaNet: Curvature-aware Sequence Modeling for Linear Recurrences
- ICML 2026Predicting the Order of Upcoming Tokens Improves Language Modeling
- ICML 2026Primal-Spectral Generative Modeling: Fast Analytical Generation via Pseudoinverse Lévy Inversion
- ICML 2026PRISM: Parallel Residual Iterative Sequence Model
- ICML 2026Protein Autoregressive Modeling via Multiscale Structure Generation
- ICML 2026Proxy Compression for Language Modeling
- ICML 2026QHyer: Q-conditioned Hybrid Attention-mamba Transformer for Offline Goal-conditioned RL
- ICML 2026QPKO: Differentiable QP-Embedded Deep Koopman Framework for Modeling Nonlinear Systems
- ICML 2026Quantifying Error Propagation and Model Collapse in Diffusion Models
- ICML 2026Query-Based Asymmetric Modeling with Decoupled Input–Output Rates for Speech Restoration
- ICML 2026ReCoG: Relational and Compact Context Graph Learning for Few-shot Molecular Property Prediction
- ICML 2026Recurrent Equivariant Constraint Modulation: Learning Per-Layer Symmetry Relaxation from Data
- ICML 2026RED-HDP-HMM: Observation-Dependent Durations for Bayesian Nonparametric Sequential Models
- ICML 2026Resolving Blind Inverse Problems under Dynamic Range Compression via Structured Forward Operator Modeling
- ICML 2026Riemannian MeanFlow
- ICML 2026Riemannian Metric Matching for Scalable Geometric Modeling of Distributions
- ICML 2026SAC-Opt: Semantic Anchors for Iterative Correction in Optimization Modeling
- ICML 2026Scalable Medical Multimodal Fusion via Symmetric Consistency Modeling
- ICML 2026Scaling the Prior: Size-Consistent Geometric Diffusion for 3D Molecular Generation
- ICML 2026scCBGM: Single-Cell Editing via Concept Bottlenecks
- ICML 2026See the Emotion: A Facial Emoji Proxy Modeling for EEG Emotion Recognition
- ICML 2026Semantic-Aware Motion Encoding for Topology-Agnostic Character Animation
- ICML 2026Smoothness Errors in Dynamics Models and How to Avoid Them
- ICML 2026Speculative Sampling For Faster Molecular Dynamics
- ICML 2026Stochastic Neural Ray Tracing for Radio Frequency Channel Modeling
- ICML 2026SymSpectra: Symmetric Information Bottleneck Framework for Molecular Structure Recognition under Imbalanced Settings
- ICML 2026Synthesizable Molecular Generation via Soft-constrained GFlowNets with Rich Chemical Priors
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。