Title
Addressing Challenges in Time Series Forecasting: A Comprehensive Comparison of Machine Learning Techniques Seyedeh Azadeh Fallah Mortezanejad Ruochen Wang AI4TS 70 0 0 26 Mar 2025
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Latent Representation and Simulation of Markov Processes via Time-Lagged Information Bottleneck Marco Federici Patrick Forré Ryota Tomioka Bastiaan S. Veeling 10 3 0 13 Sep 2023
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Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling Jiarui Lu Bozitao Zhong Zuobai Zhang Jian Tang 14 24 0 05 Jun 2023
Implicit Transfer Operator Learning: Multiple Time-Resolution Surrogates for Molecular Dynamics M. Schreiner Ole Winther Simon Olsson OOD AI4CE 30 13 0 29 May 2023
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Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters Marloes Arts J. Frellsen Wouter Boomsma 21 0 0 27 Feb 2023
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Koopman-theoretic Approach for Identification of Exogenous Anomalies in Nonstationary Time-series Data Alex Troy Mallen Christoph Keller J. Nathan Kutz AI4TS 13 0 0 18 Sep 2022
Building Robust Machine Learning Models for Small Chemical Science Data: The Case of Shear Viscosity Nikhil V. S. Avula S. K. Veesam Sudarshan Behera S. Balasubramanian 21 8 0 23 Aug 2022
Thermodynamics-inspired Explanations of Artificial Intelligence S. Mehdi P. Tiwary AI4CE 15 15 0 27 Jun 2022
GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules Mahdi Ghorbani Samarjeet Prasad Jeffery B. Klauda B. Brooks GNN 20 30 0 12 Jan 2022
The Past as a Stochastic Process David Wolpert M. Price Stefani A. Crabtree Timothy A. Kohler Jürgen Jost James C. Evans P. Stadler Hajime Shimao M. Laubichler AI4TS 13 0 0 11 Dec 2021
Collective variable discovery in the age of machine learning: reality, hype and everything in between S. Bhakat AI4CE 21 24 0 06 Dec 2021
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics C. Wehmeyer Frank Noé AI4CE BDL 109 355 0 30 Oct 2017
Estimation and uncertainty of reversible Markov models Benjamin Trendelkamp-Schroer Hao Wu Fabian Paul Frank Noé 68 129 0 19 Jul 2015