Results 121 to 130 of about 2,763 (264)
Performance–Complexity Trade‐Offs in Battery Lifetime Prediction with Task‐Aware Transformers
Advanced Science, EarlyView.FAST‐BatPro integrates convolutional feature extraction, flash Attention, and sparse attention for efficient battery lifetime prediction. Using limited early‐cycle data across multiple chemistries and operating conditions, it achieves robust accuracy while reducing inference latency, computational cost, and energy consumption.
Jingyuan Zhao +9 more
wiley +1 more source
Sustainable Materials Design With Multi‐Modal Artificial Intelligence
Advanced Science, EarlyView.Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu +8 more
wiley +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced Science, EarlyView.A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
Advanced Science, EarlyView.A physics‐informed property‐bridging framework links high‐throughput hardness screening to tensile performance in quenching and partitioning steels. By transferring metallurgically guided representations across properties, a single alloy composition is designed to achieve multiple strength grades through heat‐treatment tuning alone, offering a ...
Xiaolu Wei +7 more
wiley +1 more source
Mechanism‐Informed Machine Learning Enables Discovery of Oncolytic Peptides for Cancer Immunotherapy
Advanced Science, EarlyView.MISPOP integrates ensemble learning with membrane‐active physicochemical priors to identify Dermaseptin‐S9, a natural oncolytic peptide that disrupts tumor membranes, triggers immunogenic cell death, and shows strong antitumor activity. The study illustrates a mechanism‐informed route from peptide sequence data to cancer immunotherapy leads.
Wen Zhang +11 more
wiley +1 more source
Advanced Science, EarlyView.The human brain's imagination, which enables autonomous driving hazard avoidance by completing missing visual information, relies on Gaussian‐stochastic neuron. We report the altermagnetic RuO2 spintronic neurons integrating field‐free switching and intrinsic Gaussian stochasticity, building an all‐spin ANN for high‐quality image repairing and high ...
Junwei Zeng +9 more
wiley +1 more source
A Generalization of the Least General Generalization
A Generalization of the Least General GeneralizationIn this paper, we describe a polynomial time algorithm, called a k-minimal multiple generalization (k-mmg) algorithm, where $ k gep 1$, and its application to inductive learning problems. The algorithm is a natural extension of the least general generalization algorithm developed by Plotkin.
openaire
Advanced Science, EarlyView.Herein, we demonstrate a breakthrough in dielectric energy storage by engineering local polarization units in high‐entropy multilayer ceramic capacitors (MLCCs). The optimized MLCCs achieve an ultrahigh recoverable energy density of 18.2 J cm−3 with 91% efficiency, coupled with exceptional thermal stability and fatigue resistance.
Shiyu Zhou +11 more
wiley +1 more source
Advanced Science, EarlyView.SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang +8 more
wiley +1 more source