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

  • State Key Laboratory for Mechanical Behavior of Materials
  • Xi'an Jiaotong University
  • Chongqing University

Research output: Contribution to journal › Article › peer-review

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 (Formula presented.) -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 (Formula presented.) -based ceramic exhibiting an EC strength of (Formula presented.) (Formula presented.) /V at (Formula presented.) 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.

Original languageEnglish
JournalAdvanced Science
DOIs
StateAccepted/In press - 2026

Keywords

  • active learning
  • data-driven materials discovery
  • electrocaloric materials
  • ferroelectric ceramics
  • multi-fidelity learning

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