Cover Image

Estimating Committor Functions via Deep Adaptive Sampling on Rare Transition Paths

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Wang, Yueyang, Tang, Kejun, Wang, Xili, Wan, Xiaoliang, Ren, Weiqing, Yang, Chao
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Quantitative Methods
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Transition Path Sampling with Boltzmann Generator-based MCMC Moves
by: Plainer, Michael, et al.
Published: (2023)

Domain Adaptive and Fine-grained Anomaly Detection for Single-cell Sequencing Data and Beyond
by: Xu, Kaichen, et al.
Published: (2024)

Deep Learning Method for Computing Committor Functions with Adaptive Sampling
by: Lin, Bo, et al.
Published: (2024)

Deep Adaptive Dimension Reduction for Bayesian Inference in Inverse Problems
by: Wang, Yueyang, et al.
Published: (2026)

Deep learning-guided evolutionary optimization for protein design
by: Hartman, Erik, et al.
Published: (2026)

Better Protein Function Prediction by Modeling Survivorship Bias
by: Chao, Zhongmou, et al.
Published: (2026)

Accelerating MHC-II Epitope Discovery via Multi-Scale Prediction in Antigen Presentation
by: Wan, Yue, et al.
Published: (2025)

Efficient and Robust Continual Graph Learning for Graph Classification in Biology
by: Zhang, Ding, et al.
Published: (2024)

Explicit Path CGR: Maintaining Sequence Fidelity in Geometric Representations
by: Ali, Sarwan
Published: (2025)

Reward-Guided Discrete Diffusion via Clean-Sample Markov Chain for Molecule and Biological Sequence Design
by: Phunyaphibarn, Prin, et al.
Published: (2026)

Multi-modal Adaptive Estimation for Temporal Respiratory Disease Outbreak
by: Liu, Hong, et al.
Published: (2025)

Mamba-based Deep Learning Approach for Sleep Staging on a Wireless Multimodal Wearable System without Electroencephalography
by: Zhang, Andrew H., et al.
Published: (2024)

EXAONE Path 2.5: Pathology Foundation Model with Multi-Omics Alignment
by: Yun, Juseung, et al.
Published: (2025)

Improving Paratope and Epitope Prediction by Multi-Modal Contrastive Learning and Interaction Informativeness Estimation
by: Wang, Zhiwei, et al.
Published: (2024)

EPO: Diverse and Realistic Protein Ensemble Generation via Energy Preference Optimization
by: Sun, Yuancheng, et al.
Published: (2025)

Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations
by: Lu, Jiarui, et al.
Published: (2024)

Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling
by: Lu, Jiarui, et al.
Published: (2023)

Closing the Domain Gap in Biomedical Imaging by In-Context Control Samples
by: Sanchez-Fernandez, Ana, et al.
Published: (2026)

Data-Dependent Smoothing for Protein Discovery with Walk-Jump Sampling
by: Anumasa, Srinivas, et al.
Published: (2025)

Learning Patient-Specific Spatial Biomarker Dynamics via Operator Learning for Alzheimer's Disease Progression
by: Wang, Jindong, et al.
Published: (2025)

Explainable Deep Learning Framework for SERS Bio-quantification
by: Zaki, Jihan K., et al.
Published: (2024)

A Complete Guide to Spherical Equivariant Graph Transformers
by: Tang, Sophia
Published: (2025)

Numerical Stability of DeepGOPlus Inference
by: Pepe, Inés Gonzalez, et al.
Published: (2022)

Deep Neural Cellular Potts Models
by: Minartz, Koen, et al.
Published: (2025)

Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled
by: Liu, Shengchao, et al.
Published: (2024)

MKDTI: Predicting drug-target interactions via multiple kernel fusion on graph attention network
by: Zhou, Yuhuan, et al.
Published: (2024)

Improving Antibody Design with Force-Guided Sampling in Diffusion Models
by: Kulytė, Paulina, et al.
Published: (2024)

ProteinZero: Self-Improving Protein Generation via Online Reinforcement Learning
by: Wang, Ziwen, et al.
Published: (2025)

Global Deep Forecasting with Patient-Specific Pharmacokinetics
by: Potosnak, Willa, et al.
Published: (2023)

PRESCRIBE: Predicting Single-Cell Responses with Bayesian Estimation
by: Cheng, Jiabei, et al.
Published: (2025)

DeepAtlas: a tool for effective manifold learning
by: Hughes, Serena, et al.
Published: (2025)

Compositional Deep Probabilistic Models of DNA Encoded Libraries
by: Chen, Benson, et al.
Published: (2023)

FARM: Enhancing Molecular Representations with Functional Group Awareness
by: Nguyen, Thao, et al.
Published: (2024)

Sparse Autoencoders for Low-$N$ Protein Function Prediction and Design
by: Tsui, Darin, et al.
Published: (2025)

A Diffusion Model to Shrink Proteins While Maintaining Their Function
by: Baron, Ethan, et al.
Published: (2025)

Prot2Token: A Unified Framework for Protein Modeling via Next-Token Prediction
by: Pourmirzaei, Mahdi, et al.
Published: (2025)

Deep Generative Modeling for Identification of Noisy, Non-Stationary Dynamical Systems
by: Voina, Doris, et al.
Published: (2024)

Deep Learning Approaches for Blood Disease Diagnosis Across Hematopoietic Lineages
by: Bo, Gabriel, et al.
Published: (2025)

Drug Repurposing Using Deep Embedded Clustering and Graph Neural Networks
by: Delzer, Luke, et al.
Published: (2025)

Deep Learning Framework for RNA Inverse Folding with Geometric Structure Potentials
by: Yao, Annabelle
Published: (2025)