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◆ Advanced science (Weinheim, Baden-Wurttemberg, Germany)2026-09-03

Fusing Direct and Indirect Measurements Through Multi-Fidelity Learning For Accelerated Electrocaloric Materials Discovery.

Bo Wang, Pengfei Dang, Yuan Tian, Zhengwang He, Wei Gu, Lixue Zhang, Turab Lookman, Yumei Zhou, Dezhen Xue

原始摘要(英文原文)· Original abstract
The data-driven discovery of high-performance electrocaloric (EC) materials is challenged by sparse direct measurements and systematic discrepancies between direct and indirect measurements, resulting in heterogeneous datasets with varying fidelity levels. Here, a co-kriging-based multi-fidelity learning framework is developed to integrate these data sources and construct a robust predictive model for BaTiO 3 -based ferroelectric ceramics by explicitly modeling cross-fidelity correlation and discrepancy. Combined with a multi-objective active learning strategy, the framework enables efficient optimization of low-temperature EC strength and operational temperature span across the composition-processing space. Guided by this approach, a multi-element-doped BaTiO 3 -based ceramic exhibiting an EC strength of 0.06 × 10 - 6 K · m /V at - 70 ∘ C together with a broad operational temperature span of 75 K is identified. Experimental characterization reveals that the enhanced performance originates from a suppressed and diffuse phase transition associated with a relaxor-like or weakly ordered state, enabling broad temperature stability together with large reversible polarization. These results demonstrate that integrating multi-fidelity learning with active learning provides an effective strategy for accelerating functional materials discovery under realistic experimental constraints.
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Fusing Direct and Indirect Measurements Through Multi-Fidelity Learning For Accelerated Electrocaloric Materials Discovery. — 科研速览 Science Skim