cs.LGAug 3, 2026

From fragmented data to actionable design: Physics-calibrated learning for plastic upcycling

Authors: Jingyang BaiZijia WangXiangyi LongMarcos MillanBinjian NieMingyue Ding

Organizations: Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK · Department of Electrical and Electronic Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK · Interdisciplinary Research Center for Refining and Advanced Chemicals, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia · Department of Chemical Engineering, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia · Department of Engineering Science, The University of Oxford, Parks Road, OX3 1PJ, Oxford, UK · School of Power and Mechanical Engineering, Wuhan University, Wuhan, 430072, China · Academy of Advanced Interdisciplinary Studies, Wuhan University, Wuhan, 430072, China

Abstract

Thermochemical upgrading of plastic waste is a key upcycling pathway, yet the experimental literature is fragmented by heterogeneous conditions and incomplete reporting. Complete-case learning would retain only 10.99% of the curated experiments, while target imputation can introduce biased supervision. Here we develop a Physics-Calibrated, Missingness-Gated, and Load-Balanced Mixture-of-Experts (PC-MG-MoE) framework that converts structured missingness into an informative learning signal. PC-MG-MoE learns directly from partially observed experiments without target imputation, reconstructs physically consistent product distributions, accommodates cross-laboratory heterogeneity, and provides interpretable model behaviour rather than black-box prediction alone. Under stringent source-grouped validation, it achieved the lowest aggregate absolute error among the evaluated models, supporting engineering screening under cross-laboratory heterogeneity. Wet-lab experiments provide an external comparison, showing key composition-dependent trends. Implemented as an interactive web-based workflow, PC-MG-MoE enables forward screening, physics-grounded constrained inverse design, targeted experimental planning that supports reduced experimental workload and trial-and-error, and laboratory-specific adaptation with new platform-specific data. This work establishes a transferable framework for converting fragmented literature data into experimentally actionable guidance for model-guided plastic upcycling and broader thermochemical systems.

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