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The methodology discussed in this paper aims to enhance choice models' comprehensiveness and explanatory power for forecasting choice outcomes. To achieve these, we have developed a data-driven method that leverages machine learning…

Methodology · Statistics 2023-05-02 Amir Ghorbani , Neema Nassir , Patricia Sauri Lavieri , Prithvi Bhat Beeramoole

In many scientific fields, there is an interest in understanding the way in which complex chemical networks evolve. The chemical networks which researchers focus upon, have become increasingly complex and this has motivated the development…

Chemical reaction networks (CRNs) are directed graphs with reactant or product complexes as vertices, and reactions as arcs. A CRN is weakly reversible if each of its connected components is strongly connected. Weakly reversible networks…

Phasor measurement units (PMUs) are being widely installed on power systems, providing a unique opportunity to enhance wide-area situational awareness. One essential application is the use of PMU data for real-time event identification.…

Signal Processing · Electrical Eng. & Systems 2022-08-02 Yuxuan Yuan , Zhaoyu Wang , Yanchao Wang

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

Probability · Mathematics 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

In a sparse representation based recognition scheme, it is critical to learn a desired dictionary, aiming both good representational power and discriminative performance. In this paper, we propose a new dictionary learning model for…

Computer Vision and Pattern Recognition · Computer Science 2016-11-29 Xinglin Piao , Yongli Hu , Yanfeng Sun , Junbin Gao , Baocai Yin

Discovering dynamical models to describe underlying dynamical behavior is essential to draw decisive conclusions and engineering studies, e.g., optimizing a process. Experimental data availability notwithstanding has increased…

Machine Learning · Computer Science 2022-10-12 Pawan Goyal , Peter Benner

Network models are widely used as structural summaries of biochemical systems. Statistical estimation of networks is usually based on linear or discrete models. However, the dynamics of these systems are generally nonlinear, suggesting that…

Applications · Statistics 2014-06-03 C. J. Oates , F. Dondelinger , N. Bayani , J. Korola , J. W. Gray , S. Mukherjee

The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…

Data Analysis, Statistics and Probability · Physics 2022-07-26 D. Darulis , R. Tyson , D. G. Ireland , D. I. Glazier , B. McKinnon , P. Pauli

Behavioral patterns captured in embeddings learned from interaction data are pivotal across various stages of production recommender systems. However, in the initial retrieval stage, practitioners face an inherent tradeoff between embedding…

Information Retrieval · Computer Science 2026-02-11 Vojtěch Vančura , Martin Spišák , Rodrigo Alves , Ladislav Peška

Motivation: Stochastic reaction networks are a widespread model to describe biological systems where the presence of noise is relevant, such as in cell regulatory processes. Unfortu-nately, in all but simplest models the resulting discrete…

Quantitative Methods · Quantitative Biology 2021-01-12 Luca Cardelli , Isabel Cristina Perez-Verona , Mirco Tribastone , Max Tschaikowski , Andrea Vandin , Tabea Waizmann

We present a novel multiscale simulation approach for modeling stochasticity in chemical reaction networks. The approach seamlessly integrates exact-stochastic and "leaping" methodologies into a single "partitioned leaping" algorithmic…

Chemical Physics · Physics 2009-11-11 Leonard A. Harris , Paulette Clancy

In this work, we propose an adaptive sparse learning algorithm that can be applied to learn the physical processes and obtain a sparse representation of the solution given a large snapshot space. Assume that there is a rich class of…

Machine Learning · Computer Science 2022-07-26 Yating Wang , Wing Tat Leung , Guang Lin

We consider the problem of efficiently performing simulation and inference for stochastic kinetic models. Whilst it is possible to work directly with the resulting Markov jump process, computational cost can be prohibitive for networks of…

Computation · Statistics 2015-06-18 Chris Sherlock , Andrew Golightly , Colin Gillespie

The quantitative formulation of evolution equations is the backbone for prediction, control, and understanding of dynamical systems across diverse scientific fields. Besides deriving differential equations for dynamical systems based on…

Data Analysis, Statistics and Probability · Physics 2025-01-06 Tim W. Kroll , Oliver Kamps

Can a micron sized sack of interacting molecules autonomously learn an internal model of a complex and fluctuating environment? We draw insights from control theory, machine learning theory, chemical reaction network theory, and statistical…

Molecular Networks · Quantitative Biology 2023-11-08 William Poole , Thomas E. Ouldridge , Manoj Gopalkrishnan

Chemical reaction prediction remains a fundamental challenge in organic chemistry, where existing machine learning models face two critical limitations: sensitivity to input permutations (molecule/atom orderings) and inadequate modeling of…

Machine Learning · Computer Science 2026-02-03 Runhan Shi , Letian Chen , Gufeng Yu , Yang Yang

Chemical reaction network is an important method for modeling and exploring complex biological processes, bio-chemical interactions and the behavior of different dynamics in system biology. But, formulating such reaction kinetics takes…

Artificial Intelligence · Computer Science 2025-03-28 Sadikshya Gyawali , Ashwini Mandal , Manish Dahal , Manish Awale , Sanjay Rijal , Shital Adhikari , Vaghawan Ojha

Multivariate Hawkes process provides a powerful framework for modeling temporal dependencies and event-driven interactions in complex systems. While existing methods primarily focus on uncovering causal structures among observed…

Machine Learning · Computer Science 2026-03-03 Songyao Jin , Biwei Huang

Simulation-to-Real (Sim2Real) transfer learning, the machine learning technique that efficiently solves a real-world task by leveraging knowledge from computational data, has received increasing attention in materials science as a promising…

Chemical Physics · Physics 2025-04-08 Yuta Yahagi , Kiichi Obuchi , Fumihiko Kosaka , Kota Matsui
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