Results 121 to 130 of about 2,735,316 (329)

Distilling the Pareto Optimal Front into Actionable Insights

Environmental Modelling & Software
Abstract Multi-objective optimization (MOO) is becoming increasingly important in environmental decision making, but interpreting highly-dimensional Pareto optimal data often constitutes a cognitive overload for both scientists and stakeholders. To address this challenge, we present PyretoClustR, a modular framework for post-processing Pareto optimal ...
White, Sydney E., Witing, Felix, Wittekind, Cordula, Volk, Martin, Strauch, Michael   +4 more
openaire   +2 more sources

A computational study of Ising‐based solvers for discrete landscape exploration in process optimization

AIChE Journal, EarlyView.
ABSTRACT Conceptual process design combines discrete configuration choices with continuous operating decisions, often yielding difficult mixed‐integer nonlinear or simulation‐based optimization problems. This work presents an exploratory computational assessment of Ising‐based solvers, simulated annealing, quantum annealing, and entropy computing, as ...
Yirang Park, David E. Bernal Neira
wiley   +1 more source

Machine learning–driven design of catalytic processes for sulfur dioxide oxidation: Lessons from the trenches

AIChE Journal, EarlyView.
Abstract Despite the growing use of ML in chemical engineering, the catalytic conversion of sulfur dioxide (SO2) to sulfur trioxide (SO3) remains underexplored from a data‐driven modeling perspective. This study evaluates an integrated workflow for literature‐derived SO2 oxidation data, combining data curation, preprocessing assessment, machine ...
Farough Agin, Jules Thibault, Clémence Fauteux‐Lefebvre   +2 more
wiley   +1 more source

Autonomous AI‐Driven Design for Skin Product Formulations

Advanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang, Yongrui Xiao, Chunlin Chen, Dimitrios Tsaoulidis, Kai Yang, Tao Chen   +5 more
wiley   +1 more source

Exploring the Scientific Mechanism of Tree Structure Network based on LiDAR Point Cloud Data [PDF]

ISPRS Annals of the Photogrammetry, Remote Sensing and Spatial Information Sciences
To explore how trees optimize their structure, we developed a method based on Pareto optimality theory. This method consists of the following operations. Firstly, we utilize Quantitative Structure Models for Single Trees from Laser Scanner Data (TreeQSM)
H. Chen, Y. Lin
doaj   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Meta-Modeling by Symbolic Regression and Pareto Simulated Annealing [PDF]

The subject of this paper is a new approach to Symbolic Regression.Other publications on Symbolic Regression use Genetic Programming.This paper describes an alternative method based on Pareto Simulated Annealing.Our method is based on linear regression ...
Teeuwen, G.J.A., Rennen, G., Stinstra, E.   +2 more
core  

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Dynamic multi‐objective optimisation of complex networks based on evolutionary computation

IET Networks, EarlyView., 2022
Abstract As the problems concerning the number of information to be optimised is increasing, the optimisation level is getting higher, the target information is more diversified, and the algorithms are becoming more complex; the traditional algorithms such as particle swarm and differential evolution are far from being able to deal with this situation ...
Linfeng Huang
wiley   +1 more source

From Word2Vec to Transformers: Text‐Derived Composition Embeddings for Filtering Combinatorial Electrocatalysts

Advanced Intelligent Discovery, EarlyView.
With the downstream filter held fixed, text‐derived composition representations produce distinct screening outcomes across 14 electrocatalyst libraries. Embedding model and composition encoding control the trade‐off between candidate reduction and preservation of the best measured current.
Lei Zhang, Markus Stricker
wiley   +1 more source