AI-Empowered supercapacitor materials development and device management: Methodological evolution and frontier advances

ZHAO Yanbo; LIU Pan; ZHANG Wen; ZHANG Qingyin; ZHANG Peng; SHI Zhiqiang

doi:10.19799/j.cnki.2095-4239.2026.0243

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AI-Empowered supercapacitor materials development and device management: Methodological evolution and frontier advances

Special Issue of Key Materials and Devices of Supercapacitors | 更新时间：2026-07-01

- AI-Empowered supercapacitor materials development and device management: Methodological evolution and frontier advances
- Energy Storage Science and Technology Vol. 15, Issue 5, Pages: 1716-1731(2026)
- 作者机构：
  
  1.天津工业大学电子与信息工程学院，天津 300387
  2.容创未来（沧州）新能源有限公司，河北沧州 061000
  3.天津市先进纤维与储能技术重点实验室，天津 300387
  4.天津工业大学材料科学与工程学院，天津 300387
- 作者简介：
- 基金信息：
- DOI：10.19799/j.cnki.2095-4239.2026.0243
  CLC： TM 53
- Received：26 March 2026，
  
  Revised：2026-04-26，
  
  Published：28 May 2026
- 稿件说明：
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赵衍博, 刘盼, 张雯, 等. 人工智能赋能的超级电容器材料研发与器件管理[J]. 储能科学与技术, 2026, 15(5): 1716-1731.

ZHAO Yanbo, LIU Pan, ZHANG Wen, et al. AI-Empowered supercapacitor materials development and device management: methodological evolution and frontier advances[J]. Energy Storage Science and Technology, 2026, 15(5): 1716-1731.
赵衍博, 刘盼, 张雯, 等. 人工智能赋能的超级电容器材料研发与器件管理[J]. 储能科学与技术, 2026, 15(5): 1716-1731. DOI： 10.19799/j.cnki.2095-4239.2026.0243.

ZHAO Yanbo, LIU Pan, ZHANG Wen, et al. AI-Empowered supercapacitor materials development and device management: methodological evolution and frontier advances[J]. Energy Storage Science and Technology, 2026, 15(5): 1716-1731. DOI： 10.19799/j.cnki.2095-4239.2026.0243.

摘要

超级电容器凭借其高功率密度、充放电速度快以及长循环寿命等显著优势，已成为现代储能技术的重要组成部分。然而其相对偏低的能量密度制约了其在新能源汽车与智能电网等长续航需求领域的进一步应用拓展。近年来，人工智能技术的快速发展为突破这一性能瓶颈提供了全新的研究路径。本文遵循“材料研发-器件管理”双阶段框架，系统综述了人工智能在超级电容器全生命周期中的研究进展。在材料研发阶段，回顾了开放式计算材料数据库及面向超级电容器的专用电化学数据库的发展现状，介绍了描述符的特征工程演进路径。重点综述了深度学习预测模型的技术演进，包括早期图神经网络、通用神经网络及大规模基础模型，阐述了从人工特征工程向端到端表示学习的范式转变及其对高通量虚拟筛选效率的显著提升。介绍了贝叶斯优化与主动学习驱动的合成工艺优化策略及“预测-合成-验证-反馈”闭环范式，阐述了基于扩散模型与自回归模型的生成式逆向设计方法，分析了其根据目标性能约束直接生成候选材料结构的应用潜力。在器件运维阶段，以锂电池领域的成熟方法论为参照，系统综述了健康状态评估与剩余使用寿命预测的技术演进，涵盖物理模型、传统机器学习、深度学习、状态空间模型、生成式预训练及物理信息神经网络，介绍了迁移学习与联邦学习在数据稀缺与隐私保护场景中的应用。展望未来，构建遵循原则的统一超级电容器数据库、发展适配孔网络拓扑特征的全局描述符、实现自主实验平台与闭环反馈系统的深度整合，将是推动人工智能从辅助分析工具向全链条核心研究基础设施转变的关键路径。

Abstract

Supercapacitors (SCs) play a crucial role in modern energy storage technologies

offering advantages

including high power density

fast charge/discharge rates

and a long cycle life. However

their relatively low energy density limits applications in fields requiring prolonged endurance

such as new energy vehicles and smart grids. Recently

the rapid development of artificial intelligence (AI) has opened new avenues for overcoming this performance limitation. Based on a dual-stage framework of "materials development-device management

" this review systematically surveys recent AI advancements across the full lifecycle of SCs. In the materials development phase

we assess the current landscape of open computational materials databases and specialized electrochemical databases for supercapacitors. We also discuss the evolutionary trajectory of feature engineering for descriptors. The evolution of deep learning prediction models is comprehensively surveyed

highlighting early graph neural networks

universal neural networks

and large-scale foundation models. We examine the paradigm shift from manual feature engineering to end-to-end representation learning and its significant enhancement of high-throughput virtual screening efficiency. We also introduce Bayesian optimization and active learning-driven synthesis optimization strategies

as well as the closed-loop paradigm of "prediction-synthesis-validation-feedback." In addition

we describe generative inverse design methods based on diffusion models and autoregressive models

analyzing their potential for the direct generation of candidate material structures under target property constraints. In the device operational stage

we draw insights from established methodologies in the lithium-ion battery field to systematically survey the evolution of state-of-health assessment and remaining useful life prediction. This encompasses physics-based models

traditional machine learning

deep learning

state-space models

generative pre-training

and physics-informed neural networks

as well as applications of transfer learning and federated learning in data-scarce and privacy-sensitive contexts. Looking ahead

we identify several key pathways for advancing AI from a supplementary analytical tool to a central research infrastructure across the entire value chain. These include constructing unified supercapacitor databases based on established principles

developing global descriptors tailored to pore network topology

and achieving deep integration of autonomous experimental platforms with closed-loop feedback systems.

关键词

Keywords

references

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