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We demonstrate the synthesis of sparse sampling and machine learning to characterize and model complex, nonlinear dynamical systems over a range of bifurcation parameters. First, we construct modal libraries using the classical proper…

Pattern Formation and Solitons · Physics 2015-10-28 Syuzanna Sargsyan , Steven L. Brunton , J. Nathan Kutz

Discovering the underlying dynamics of complex systems from data is an important practical topic. Constrained optimization algorithms are widely utilized and lead to many successes. Yet, such purely data-driven methods may bring about…

Dynamical Systems · Mathematics 2023-05-17 Nan Chen , Yinling Zhang

A central challenge in materials science is characterizing chemical processes that are elusive to direct measurement, particularly in functional materials operating under realistic conditions. Here, we demonstrate that mechanical strain…

Materials Science · Physics 2025-09-04 Royal C. Ihuaenyi , Hongbo Zhao , Ruqing Fang , Ruobing Bai , Martin Z. Bazant , Juner Zhu

Disentangling the mechanistic details of a chemical reaction pathway is a hard problem that often requires a considerable amount of chemical intuition and a component of luck. Experiments struggle in observing short-life metastable…

Chemical Physics · Physics 2019-08-01 Valerio Rizzi , Dan Mendels , Emilia Sicilia , Michele Parrinello

Deep neural networks can struggle to learn continually in the face of non-stationarity. This phenomenon is known as loss of plasticity. In this paper, we identify underlying principles that lead to plastic algorithms. In particular, we…

Machine Learning · Computer Science 2024-10-29 Alex Lewandowski , Dale Schuurmans , Marlos C. Machado

In this paper we aim to apply an adaptation of the recently developed technique of sparse identification of nonlinear dynamical systems on a Duffing experimental setup with cubic feedback of the output. The Duffing oscillator described by…

Classical Physics · Physics 2018-05-10 Saeideh Khatiry Goharoodi , Kevin Dekemele , Luc Dupre , Mia Loccufier , Guillaume Crevecoeur

Learning governing equations from data is central to understanding the behavior of physical systems across diverse scientific disciplines, including physics, biology, and engineering. The Sindy algorithm has proven effective in leveraging…

Machine Learning · Computer Science 2025-11-17 Gianluigi Pillonetto , Akram Yazdani , Aleksandr Aravkin

As the size of accessible compound libraries expands to over 10 billion, the need for more efficient structure-based virtual screening methods is emerging. Different pre-screening methods have been developed for rapid screening, but there…

Biomolecules · Quantitative Biology 2025-03-07 Seonghwan Seo , Woo Youn Kim

We develop a weak-form sparse identification method for interacting particle systems (IPS) with the primary goals of reducing computational complexity for large particle number $N$ and offering robustness to either intrinsic or extrinsic…

Machine Learning · Statistics 2022-07-20 Daniel A. Messenger , David M. Bortz

This paper addresses learning of sparse structural changes or differential network between two classes of non-paranormal graphical models. We assume a multi-source and heterogeneous dataset is available for each class, where the covariance…

Machine Learning · Computer Science 2024-10-04 Mojtaba Nikahd , Seyed Abolfazl Motahari

Many predictive tasks of web applications need to model categorical variables, such as user IDs and demographics like genders and occupations. To apply standard machine learning techniques, these categorical predictors are always converted…

Machine Learning · Computer Science 2017-08-18 Xiangnan He , Tat-Seng Chua

This paper presents a machine learning framework for Bayesian systems identification from noisy, sparse and irregular observations of nonlinear dynamical systems. The proposed method takes advantage of recent developments in differentiable…

Machine Learning · Computer Science 2020-04-21 Yibo Yang , Mohamed Aziz Bhouri , Paris Perdikaris

The impact of random fluctuations on the dynamical behavior a complex biological systems is a longstanding issue, whose understanding would shed light on the evolutionary pressure that nature imposes on the intrinsic noise levels and would…

Molecular Networks · Quantitative Biology 2018-01-26 Fabrizio Pucci , Marianne Rooman

Machine learning models have dual-use potential, potentially serving both beneficial and malicious purposes. The development of open-source models in chemistry has specifically surfaced dual-use concerns around toxicological data and…

Machine Learning · Computer Science 2025-10-28 Quintina L. Campbell , Jonathan Herington , Andrew D. White

Data-driven discovery of partial differential equations (PDEs) has attracted increasing attention in recent years. Although significant progress has been made, certain unresolved issues remain. For example, for PDEs with high-order…

Machine Learning · Computer Science 2021-09-14 Hao Xu , Dongxiao Zhang , Nanzhe Wang

Nonlinear system identification is important with a wide range of applications. The typical approaches for nonlinear system identification include Volterra series models, nonlinear autoregressive with exogenous inputs models,…

Systems and Control · Electrical Eng. & Systems 2019-11-28 Hongpeng Zhou , Chahine Ibrahim , Wei Pan

Extracting environmental forces from noisy data is a common yet challenging task in complex physical systems. Machine learning represents a robust approach to this problem, yet is mostly tested on simulated data with known parameters. Here…

Soft Condensed Matter · Physics 2022-10-05 Wentao Yu , Jonathan Cho , Justin C. Burton

Complex processes ranging from protein folding to nuclear fission often follow a low-dimension reaction path parameterized in terms of a few collective variables. In nuclear theory, variables related to the shape of the nuclear density in a…

Selection of solution concentrations and flow rates for the fabrication of microfibers using a microfluidic device is a largely empirical endeavor of trial-and-error, largely due to the difficulty of modeling such a multiphysics process.…

The rapid progress of Artificial Intelligence research came with the development of increasingly complex deep learning models, leading to growing challenges in terms of computational complexity, energy efficiency and interpretability. In…

Machine Learning · Computer Science 2023-06-28 Yuanrong Wang , Antonio Briola , Tomaso Aste