DNN Surrogate-Assisted Multi-Objective Optimization for Inverse Process Design of SBS-Modified Asphalt Gels.

IF 6.4 3区 化学 Q1 POLYMER SCIENCE
Gels Pub Date : 2026-10-07 DOI:10.3390/gels12100901
Zongyuan Wu, Xiaoyu Ma, Jiaming Yang, Mengxin Qiu, Yang Sun, Decai Wang
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引用次数: 0

Abstract

Styrene-butadiene-styrene (SBS)-modified asphalt is a typical physical polymer gel whose macroscopic performance is governed by the coupled effects of processing parameters, material composition, and microstructural characteristics. While machine learning has enabled accurate forward prediction of gel properties, a systematic method to inversely determine optimal processing conditions from desired performance targets remains lacking. This study proposes a surrogate-assisted multi-objective optimization framework that bridges forward prediction and inverse design for SBS-modified asphalt gels. A single multi-output deep neural network (DNN) surrogate was trained to predict penetration, softening point, ductility, and viscosity at 135 °C. After correcting the data-splitting procedure, the independent test-set R2 values ranged from approximately 0.981 to 0.994 across the four outputs. NSGA-II was then used to identify scenario-specific Pareto-optimal processing conditions. Three representative Pareto solutions, including the balanced, high-softening-point, and high-ductility solutions, were experimentally validated. Across the 12 prediction-measurement comparisons, the relative deviations ranged from approximately 0.86% to 2.62%. The framework provides a bounded-domain approach for converting forward property prediction into experimentally testable processing recommendations for SBS-modified asphalt gels.

基于DNN代理的sbs改性沥青凝胶反工艺设计多目标优化。
丁苯改性沥青是一种典型的物理聚合物凝胶,其宏观性能受工艺参数、材料组成和微观结构特性的耦合影响。虽然机器学习已经能够准确地预测凝胶性质,但仍然缺乏一种系统的方法来根据期望的性能目标反向确定最佳处理条件。本研究提出了一个代理辅助的多目标优化框架,连接了sbs改性沥青凝胶的正向预测和逆向设计。一个单一的多输出深度神经网络(DNN)替代物被训练来预测135°C下的渗透、软化点、延展性和粘度。在修正数据分割过程后,四个输出的独立测试集R2值的范围约为0.981至0.994。然后使用NSGA-II识别特定场景的帕累托最优处理条件。实验验证了平衡、高软化点和高延性三种具有代表性的Pareto解。在12个预测-测量比较中,相对偏差范围约为0.86%至2.62%。该框架提供了一种有界域方法,用于将sbs改性沥青凝胶的正向性能预测转换为实验可测试的处理建议。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Gels
Gels POLYMER SCIENCE-
CiteScore
4.70
自引率
19.60%
发文量
707
审稿时长
11 weeks
期刊介绍: The journal Gels (ISSN 2310-2861) is an international, open access journal on physical (supramolecular) and chemical gel-based materials. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the maximum length of the papers, and full experimental details must be provided so that the results can be reproduced. Short communications, full research papers and review papers are accepted formats for the preparation of the manuscripts. Gels aims to serve as a reference journal with a focus on gel materials for researchers working in both academia and industry. Therefore, papers demonstrating practical applications of these materials are particularly welcome. Occasionally, invited contributions (i.e., original research and review articles) on emerging issues and high-tech applications of gels are published as special issues.
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