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In this work we present new scalable, information theory-based variational methods for the efficient model reduction of high-dimensional deterministic and stochastic reaction networks. The proposed methodology combines, (a) information…

Numerical Analysis · Mathematics 2019-10-10 Markos A. Katsoulakis , Pedro Vilanova

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 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…

This paper analyses of a stochastic model of a chemical reaction network with three types of chemical species ${\cal R}$, ${\cal M}$ and ${\cal U}$ that interact to transform a flow of external resources, the chemical species ${\cal Q}$, to…

Probability · Mathematics 2025-12-01 Vincent Fromion , Philippe Robert , Jana Zaherddine

We propose a Reinforcement Learning framework for sparse indirect control of large-scale multi-agent systems, where few controlled agents shape the collective behavior of many uncontrolled agents. The approach addresses this multi-scale…

Systems and Control · Electrical Eng. & Systems 2026-04-27 Luigi Catello , Italo Napolitano , Davide Salzano , Mario di Bernardo

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

We study the performance of sparse regression methods and propose new techniques to distill the governing equations of dynamical systems from data. We first look at the generic methodology of learning interpretable equation forms from data,…

Machine Learning · Computer Science 2019-03-25 Chinmay S. Kulkarni

Sparse learning is a very important tool for mining useful information and patterns from high dimensional data. Non-convex non-smooth regularized learning problems play essential roles in sparse learning, and have drawn extensive attentions…

Machine Learning · Computer Science 2020-10-22 Guannan Liang , Qianqian Tong , Jiahao Ding , Miao Pan , Jinbo Bi

The HyChem approach has recently been proposed for modeling high-temperature combustion of real, multi-component fuels. The approach combines lumped reaction steps for fuel thermal and oxidative pyrolysis with detailed chemistry for the…

Chemical Physics · Physics 2023-12-12 Weiqi Ji , Julian Zanders , Ji-Woong Park , Sili Deng

Active learning enables efficient model training by leveraging interactions between machine learning agents and human annotators. We study and propose a novel framework that formulates batch active learning from the sparse approximation's…

Machine Learning · Computer Science 2022-11-08 Maohao Shen , Bowen Jiang , Jacky Yibo Zhang , Oluwasanmi Koyejo

This paper describes a hierarchical learning strategy for generating sparse representations of multivariate datasets. The hierarchy arises from approximation spaces considered at successively finer scales. A detailed analysis of stability,…

Machine Learning · Statistics 2019-10-23 Prashant Shekhar , Abani Patra

The quadratic complexity of self-attention in Transformer models remains a significant bottleneck for processing long sequences and deploying large language models efficiently. For this approach, there has been significant research into…

Computation and Language · Computer Science 2026-05-26 Spandan Pratyush

Chemical kinetics plays an important role in governing the thermal evolution in reactive flows problems. The possible interactions between chemical species increase drastically with the number of species considered in the system. Various…

Instrumentation and Methods for Astrophysics · Physics 2022-07-18 Kwok Sun Tang , Matthew Turk

Models invoking the chemical master equation are used in many areas of science, and, hence, their simulation is of interest to many researchers. The complexity of the problems at hand often requires considerable computational power, so a…

Biological Physics · Physics 2016-03-02 Fabian Spill , Philip K. Maini , Helen Byrne

Over-parameterization of deep neural networks (DNNs) has shown high prediction accuracy for many applications. Although effective, the large number of parameters hinders its popularity on resource-limited devices and has an outsize…

Machine Learning · Computer Science 2023-04-25 Shaoyi Huang , Bowen Lei , Dongkuan Xu , Hongwu Peng , Yue Sun , Mimi Xie , Caiwen Ding

Stochastic models of chemical reaction networks are an important tool to describe and analyze noise effects in cell biology. When chemical species and reaction rates in a reaction system have different orders of magnitude, the associated…

Probability · Mathematics 2020-09-15 German Enciso , Jinsu Kim

We introduce the sparse modern Hopfield model as a sparse extension of the modern Hopfield model. Like its dense counterpart, the sparse modern Hopfield model equips a memory-retrieval dynamics whose one-step approximation corresponds to…

Machine Learning · Computer Science 2023-12-01 Jerry Yao-Chieh Hu , Donglin Yang , Dennis Wu , Chenwei Xu , Bo-Yu Chen , Han Liu

This paper seeks to combine dictionary learning and hierarchical image representation in a principled way. To make dictionary atoms capturing additional information from extended receptive fields and attain improved descriptive capacity, we…

Computer Vision and Pattern Recognition · Computer Science 2019-11-11 Tong Zhang , Fatih Porikli

Sensitivity analysis of biochemical reactions aims at quantifying the dependence of the reaction dynamics on the reaction rates. The computation of the parameter sensitivities, however, poses many computational challenges when taking…

Molecular Networks · Quantitative Biology 2018-11-07 Vo Hong Thanh , Roberto Zunino , Corrado Priami

The quadratic complexity of attention mechanisms poses a critical bottleneck for large language models processing long contexts. While dynamic sparse attention methods offer input-adaptive efficiency, they face fundamental trade-offs:…

Computation and Language · Computer Science 2026-02-06 Siran Liu , Guoxia Wang , Sa Wang , Jinle Zeng , HaoYang Xie , Siyu Lou , JiaBin Yang , DianHai Yu , Haifeng Wang , Chao Yang