Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation
Advanced Intelligent Discovery, EarlyView.Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei +9 more
wiley +1 more source
Epidemiology and social factors of malaria in the Yanomami Indigenous Territory: a critical review of the challenges of control and elimination. [PDF]
Mem Inst Oswaldo CruzBaia-da-Silva DC +5 more
europepmc +1 more source
A Generative AI Framework to Predict Cardiomyocyte Contraction Function From Single Static Images
Advanced Intelligent Discovery, EarlyView.A single static hiPSC‐cardiomyocyte image is fed into a U‐Net‐GAN framework, which directly predicts a pixel‐resolved contraction heatmap without time‐lapse imaging. StyleGAN2‐generated synthetic cell–heatmap pairs augment training, improving prediction fidelity (SSIM = 0.84).
Andrew Kowalczewski +5 more
wiley +1 more source
A seasonally explicit counterfactual framework reveals incomplete turbidity recovery in a tropical river seven years after a major mine-tailings disaster. [PDF]
Environ Monit AssessLeal JS, Souza NF.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.Data scarcity is a critical bottleneck for machine learning in applied chemistry. We show that physics‐informed descriptors enable a simple linear model to predict the deblocking temperatures of capped diisocyanates to within 11 °C from just 19 measurements, demonstrating that embedding physical insight into descriptors, rather than relying on ...
Remsha Rafiq +9 more
wiley +1 more source
Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers
Advanced Intelligent Systems, EarlyView.Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica +38 more
wiley +1 more source
Spatiotemporal prediction of mining-induced surface subsidence using integrated D-InSAR and boltzmann time function models. [PDF]
PLoS OneZhou W +5 more
europepmc +1 more source
Fatigue‐Driven Adaptive Assistance for a Semi‐Active Upper‐Limb Occupational Exoskeleton
Advanced Intelligent Systems, EarlyView.Physical fatigue during a physical activity is estimated in real time to enable adaptive exoskeleton assistance. By continuously adjusting the level of support according to the user’s fatigue, this approach reduces physical demand and provides a pathway toward personalized exoskeleton assistance.
Seemab Zakir +6 more
wiley +1 more source
From prior knowledge to data-informed models: a review of Boolean network inference. [PDF]
Brief BioinformKlemmer P +3 more
europepmc +1 more source
Food inflation pass‐through from agricultural imports in a small open economy
American Journal of Agricultural Economics, EarlyView.Abstract This paper develops a new framework for quantifying cost pass‐through in a small open economy by estimating firm‐level markup responses to agricultural import price shocks. We show theoretically that markup adjustments depend on firms' reliance on imported inputs and demand curvature, generating heterogeneous inflationary effects across firm ...
Minseong Kang, Seungki Lee
wiley +1 more source