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Understanding how multiple features are associated and contribute to a specific objective is as important as understanding how each feature contributes to a particular outcome. Interpretability of a single feature in a prediction may be…

Machine Learning · Computer Science 2024-03-04 Nisha Pillai , Ganga Gireesan , Michael J. Rothrock , Bindu Nanduri , Zhiqian Chen , Mahalingam Ramkumar

Flux balance analysis has proven an effective tool for analyzing metabolic networks. In flux balance analysis, reaction rates and optimal pathways are ascertained by solving a linear program, in which the growth rate is maximized subject to…

Optimization and Control · Mathematics 2018-04-10 Amir Akbari , Paul I. Barton

Microscopic machines utilize free energy to create and maintain out-of-equilibrium organization in virtually all living things. Often this takes the form of converting the free energy stored in nonequilibrium chemical potential differences…

Statistical Mechanics · Physics 2019-08-23 Steven J. Large , David A. Sivak

Aquaculture has been the fastest growing food production sector globally due to its potential to improve food security, stimulate economic growth, and reduce poverty. Its rapid development has been linked to sustainability challenges, many…

Populations and Evolution · Quantitative Biology 2025-02-27 Sonja Radosavljevic , Ezio Venturino , Francesca Acotto , Quanli Wang , Jie Su , Alexandros Gasparatos

Creating diverse sets of high quality solutions has become an important problem in recent years. Previous works on diverse solutions problems consider solutions' objective quality and diversity where one is regarded as the optimization goal…

Neural and Evolutionary Computing · Computer Science 2024-01-17 Anh Viet Do , Mingyu Guo , Aneta Neumann , Frank Neumann

Algorithms developed for scheduling applications on heterogeneous multiprocessor system focus on asingle objective such as execution time, cost or total data transmission time. However, if more than oneobjective (e.g. execution cost and…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-04-11 M. Rathna Devi , A. Anju

We address the issue of minimal time optimal control of fedbatch reactor in presence of complex non monotonic kinetics, that can be typically characterized by the combination of two Haldane models. The optimal synthesis may present several…

Optimization and Control · Mathematics 2010-10-26 Alain Rapaport , Denis Dochain

Quantifying energy flows at nanometer scales promises to guide future research in a variety of disciplines, from microscopic control and manipulation, to autonomously operating molecular machines. A general understanding of the…

Statistical Mechanics · Physics 2018-11-26 Steven J. Large , Raphaël Chetrite , David A. Sivak

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

This paper presents a scheme for dual robust control of batch processes under parametric uncertainty. The dual-control paradigm arises in the context of adaptive control. A trade-off should be decided between the control actions that…

Systems and Control · Electrical Eng. & Systems 2019-06-21 Radoslav Paulen , Miroslav Fikar

Bifacial tandem cells promise to reduce three fundamental losses (above-bandgap, below bandgap, and the uncollected light between panels) inherent in classical single junction PV systems. The successive filtering of light through the…

General Physics · Physics 2016-06-06 Muhammad A. Alam , M. Ryyan Khan

This paper investigates an optimal control problem associated with a two-dimensional multi-species Cahn-Hilliard-Keller-Segel tumor growth model, which incorporates complex biological processes such as species diffusion, chemotaxis,…

Analysis of PDEs · Mathematics 2024-07-26 Pierluigi Colli , Gianni Gilardi , Andrea Signori , Jürgen Sprekels

In a wide range of applications it is desirable to optimally control a dynamical system with respect to concurrent, potentially competing goals. This gives rise to a multiobjective optimal control problem where, instead of computing a…

Optimization and Control · Mathematics 2020-12-18 Sebastian Peitz , Sina Ober-Blöbaum , Michael Dellnitz

The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become…

Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner.…

Machine Learning · Computer Science 2024-06-05 Songtao Liu , Hanjun Dai , Yue Zhao , Peng Liu

The energy transition is driving rapid growth in renewable energy generation, creating the need to balance energy supply and demand with energy price awareness. One such approach for manufacturers to balance their energy demand with…

Neural and Evolutionary Computing · Computer Science 2025-04-23 Sascha C Burmeister , Till N Rogalski , Guido Schryen

We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…

A generic approach is proposed for the estimation of advanced biocrudes properties from liquefied biomass and the enthalpy of formation of biomass feedstocks applicable to the modeling of biomass conversion processes where the exact…

Chemical Physics · Physics 2019-08-05 Eliana M. Lozano , Thomas H. Pedersen , Lasse Rosendahl

Complex real-world applications of cyber-physical systems give rise to the need for multi-objective controller synthesis, which concerns the problem of computing an optimal controller subject to multiple (possibly conflicting) criteria. The…

Artificial Intelligence · Computer Science 2022-03-04 Shenghui Chen , Kayla Boggess , David Parker , Lu Feng

In addition to the best model architecture and hyperparameters, a full AutoML solution requires selecting appropriate hardware automatically. This can be framed as a multi-objective optimization problem: there is not a single best hardware…

Machine Learning · Computer Science 2021-06-11 David Salinas , Valerio Perrone , Olivier Cruchant , Cedric Archambeau
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