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Reaction-Diffusion (RD) systems provide a computational framework that governs many pattern formation processes in nature. Current RD system design practices boil down to trial-and-error parameter search. We propose a differentiable…

Neural and Evolutionary Computing · Computer Science 2021-07-15 Alexander Mordvintsev , Ettore Randazzo , Eyvind Niklasson

We propose a direct optimization framework for learning reduced and sparse chemical reaction networks (CRNs) from time-series trajectory data. In contrast to widely used indirect methods-such as those based on sparse identification of…

Molecular Networks · Quantitative Biology 2025-08-27 Maurice Filo , Mustafa Khammash

Reinforcement learning (RL) struggles to scale to large, combinatorial action spaces common in many real-world problems. This paper introduces a novel framework for training discrete diffusion models as highly effective policies in these…

Machine Learning · Computer Science 2026-05-21 Haitong Ma , Ofir Nabati , Aviv Rosenberg , Bo Dai , Oran Lang , Craig Boutilier , Na Li , Shie Mannor , Lior Shani , Guy Tenneholtz

Modern buildings encompass complex dynamics of multiple electrical, mechanical, and control systems. One of the biggest hurdles in applying conventional model-based optimization and control methods to building energy management is the huge…

Optimization and Control · Mathematics 2017-11-08 Yize Chen , Yuanyuan Shi , Baosen Zhang

Complex social systems are composed of interconnected individuals whose interactions result in group behaviors. Optimal control of a real-world complex system has many applications, including road traffic management, epidemic prevention,…

Systems and Control · Computer Science 2019-05-08 Wen Dong , Bo Liu , Fan Yang

Very often, models in biology, chemistry, physics, and engineering are systems of polynomial or power-law ordinary differential equations, arising from a reaction network. Such dynamical systems can be generated by many different reaction…

Dynamical Systems · Mathematics 2020-01-01 Gheorghe Craciun , Jiaxin Jin , Polly Y. Yu

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

Computational Engineering, Finance, and Science · Computer Science 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

Existing batch size selection approaches in distributed machine learning rely on static allocation or simplistic heuristics that fail to adapt to heterogeneous, dynamic computing environments. We present DYNAMIX, a reinforcement learning…

Machine Learning · Computer Science 2025-10-10 Yuanjun Dai , Keqiang He , An Wang

In distributed optimization, the practical problem-solving performance is essentially sensitive to algorithm selection, parameter setting, problem type and data pattern. Thus, it is often laborious to acquire a highly efficient method for a…

Optimization and Control · Mathematics 2024-01-04 Daokuan Zhu , Tianqi Xu , Jie Lu

The abundance of data affords researchers to pursue more powerful computational tools to learn the dynamics of complex system, such as neural networks, engineered systems and social networks. Traditional machine learning approaches capture…

Machine Learning · Computer Science 2024-05-16 Yan Shen , Fan Yang , Mingchen Gao , Wen Dong

Complex network theory has shown success in understanding the emergent and collective behavior of complex systems [1]. Many real-world complex systems were recently discovered to be more accurately modeled as multiplex networks [2-6]---in…

Physics and Society · Physics 2021-06-14 Vito M. Leli , Saeed Osat , Timur Tlyachev , Dmitry V. Dylov , Jacob D. Biamonte

We present an algorithm for model-based reinforcement learning that combines Bayesian neural networks (BNNs) with random roll-outs and stochastic optimization for policy learning. The BNNs are trained by minimizing $\alpha$-divergences,…

Machine Learning · Statistics 2017-03-09 Stefan Depeweg , José Miguel Hernández-Lobato , Finale Doshi-Velez , Steffen Udluft

Model-based reinforcement learning methods often use learning only for the purpose of estimating an approximate dynamics model, offloading the rest of the decision-making work to classical trajectory optimizers. While conceptually simple,…

Machine Learning · Computer Science 2022-12-22 Michael Janner , Yilun Du , Joshua B. Tenenbaum , Sergey Levine

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics. The original problem…

Dynamical Systems · Mathematics 2011-07-05 Gabor Szederkenyi , Katalin M. Hangos , Zsolt Tuza

Reaction-diffusion systems offer a powerful framework for understanding self-organized patterns in biological systems, yet controlling these patterns remains a significant challenge. As a consequence, we present a rigorous framework of…

Optimization and Control · Mathematics 2026-04-13 Mohamed Amine Ouchdiri , Hamza Faquir , Saad Benjelloun , Mohamed Adlene Maghenem , Irene Otero-Muras , Adnane Saoud

We introduce Dynamic Planning Networks (DPN), a novel architecture for deep reinforcement learning, that combines model-based and model-free aspects for online planning. Our architecture learns to dynamically construct plans using a learned…

Machine Learning · Computer Science 2019-02-05 Norman Tasfi , Miriam Capretz

Differential equations (DE) constrained optimization plays a critical role in numerous scientific and engineering fields, including energy systems, aerospace engineering, ecology, and finance, where optimal configurations or control…

Machine Learning · Computer Science 2024-10-03 Vincenzo Di Vito , Mostafa Mohammadian , Kyri Baker , Ferdinando Fioretto

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

The online optimization of gasoline blending benefits refinery economies. However, the nonlinear blending mechanism, the oil property fluctuations, and the blending model mismatch bring difficulties to the optimization. To solve the above…

Computational Engineering, Finance, and Science · Computer Science 2023-09-07 Muyi Huang , Renchu He , Xin Dai , Xin Peng , Wenli Du , Feng Qian

The integration of Graph Neural Networks (GNNs) and Neural Ordinary and Partial Differential Equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eldad Haber , Eran Treister
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