Sep 2026· Advancement of science· 0 citations· 37 references
Medicine
Abstract
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 BaTiO3‐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 BaTiO3‐based ceramic exhibiting an EC strength of 0.06×10−6 K·m/V at 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.
High‐entropy alloys (HEAs) are highly promising electrocatalysts, but the vastness of their configurational space severely limits traditional screening approaches. To overcome this challenge, this article proposes a conceptual and methodological paradigm shift toward “Inverse Design” (“property‐to‐material”) by intro...
Mikael Takoutsin, Marta Campolucci, Nicolas de Andrade Ishiki et al.· Advanced Engineering Materia...· 0 citations
Deep elastic strain engineering has been recognized as a powerful route for tailoring electromechanical responses and for uncovering new functional properties in ferroelectrics enabled by extreme yet fully reversible elastic distortions. However, a systematic exploration of ferroelectric behavior across the full six-di...
Yasuaki Maruyama, Tao Xu, Susumu Minami et al.· Modelling and Simulation in...· 0 citations
Raman spectroscopy has emerged as a powerful analytical tool across diverse industrial sectors, owing to its nondestructive nature, high chemical specificity, and ability to provide unique molecular “fingerprints.” In the steelmaking industry, this technique offers a promising route for the rapid and precise characte...
Marjorie Ariele Pereira, Daniel Cruz Cavalieri, Adilson Ribeiro Prado et al.· Journal of Raman Spectroscop...· 0 citations
Entangled granular materials derive exceptional macroscopic rigidity from topological interlocking of their constituents. However, rationally designing particle geometries to maximize this effect remains a formidable challenge due to the immense configuration space and the prohibitive computational cost of discrete e...
Work function plays a pivotal role in technologies ranging from energy conversion and electronics to catalysis. In this work, we integrated machine learning (ML) with multi-fidelity screening to develop a data-driven framework for accelerating the discovery of materials with extreme work functions. We augmented a previ...
Jun Meng, Ryan Jacobs, R. Kapadia et al.· 0 citations
ABSTRACT Precise work function engineering in two‐dimensional (2D) materials is pivotal for next‐generation nanoelectronic devices. However, current data‐driven approaches are often hampered by the scarcity of high‐precision data and a lack of physical interpretability. We propose a Graph‐Potential Cross‐Modal Contrast...
Hao-Yu Wan, Yue Wu, Tian-Hao Su et al.· Advancement of science· 0 citations
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