Journal of Zhejiang University SCIENCE A 1998 Vol.-1 No.-1 P.

http://doi.org/10.1631/jzus.A2500628


Mechanism-enhanced multitask distillation for predictive, interpretable design of biomass-based activated carbons


Author(s):  Peng ZHAO1, Jiahui ZHOU2, Guangyao LI1,3, Hao YU1,3, Dongxu JI3, Takahiko MIYAZAKI1,4, Kyaw THU1,4

Affiliation(s):  1. 1/sup>Department of Advanced Environmental Science and Engineering, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Fukuoka 816-8580, Japan 2Department of Information Science and Technology, Graduate School and Faculty of Information Science and Electrical Engineering, Kyushu University, Fukuoka 819-0395, Japan 3School of Science and Engineering, Chinese University of Hong Kong, Shenzhen 518172, China 4Research Center for Next Generation Refrigerant Properties (NEXT-RP), International Institute for Carbon-Neutral Energy Research (I2CNER), Kyushu University, Fukuoka, Japan

Corresponding email(s):   Hao YUyuhao@cuhk.edu.cn

Key Words:  Activated carbon synthesis, Pore structure prediction, Knowledge distillation, Multitask deep learning, Process optimization


Peng ZHAO1, Jiahui ZHOU2, Guangyao LI1, 3, Hao YU1, 3, Dongxu JI3, Takahiko MIYAZAKI1, 4, Kyaw THU1, 4. Mechanism-enhanced multitask distillation for predictive, interpretable design of biomass-based activated carbons[J]. Journal of Zhejiang University Science A, 1998, -1(-1): .

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year="1998",
publisher="Zhejiang University Press & Springer",
doi="10.1631/jzus.A2500628"
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Abstract: 
Designing biomass-derived activated carbons (ACs) is challenged by heterogeneous synthesis routes and multiobjective trade-offs among specific surface area (SBET), total pore volume (VT), and mass yield (Yield). This study presents a mechanism-enhanced multitask distillation framework (AC-ResKD) built on a shared residual ResDNN and dual priors from prediction-level (PD-KD) and teacher-aware (TA-KD) distillation. Process factors (agent, activation temperature/time, impregnation, heating rate, precursor composition) are modeled jointly with teacher predictions to learn an interpretable mapping across combined and separated one-step/two-step datasets. All results are reported as the mean and 95% confidence intervals over 20 repeated random 80/20 splits. On separated routes, TA-KD achieves robust accuracy for SBET (one-step: R2=0.806 [0.787, 0.824]; two-step: R2=0.801 [0.773, 0.830]) and VT (one-step: R2=0.787 [0.764, 0.810]; two-step: R2=0.817 [0.791, 0.843]). On the combined set, TA-KD yields the strongest gains for Yield (R2=0.816 [0.802, 0.831]; RMSE=5.047 [4.853, 5.242]) while improving SBET and VT as well. Overall, Yield is the most consistent beneficiary of distillation, and route-separated training exhibits improved monotonicity and reduced bias relative to combined training; the two-step route shows stronger VT predictability consistent with a pre-carbonization priming effect. Explainability (PFI/SHAP) identifies teacher outputs, agent type, and thermal severity as dominant drivers. Impregnation governs VT in one-step activation, while pyrolysis variables rise in importance in two-step activation. Robust Pareto screening with quantile-window extraction delivers agent- and route-specific operating envelopes (temperature-dose-time), enabling simultaneous SBET/VT improvement under bounded Yield penalties. AC-ResKD thus provides accurate, interpretable, and actionable guidance for AI-assisted AC design in heterogeneous, data-scarce settings.

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Received: 2025-11-30

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