AI Medical Compendium

Breaking Atomic Fe-N4 Symmetry in Aerogel Catalysts by Nitrogen and Chlorine Doping for Enhancing Oxygen Reduction.

ACS nano May 7, 2026

The growing demand for metal-air batteries and fuel cells has spurred extensive research into low-cost, highly efficient, noble-metal-free electrocatalysts to overcome the sluggish oxygen reduction reaction (ORR) at the cathode. Herein, we propose a ... read more

Comparing variable selection and model averaging methods for logistic regression.

Proceedings of the National Academy of Sciences of the United States of America May 7, 2026

Model uncertainty is a central challenge in statistical models for binary outcomes such as logistic regression, arising when it is unclear which predictors should be included in the model. Many methods have been proposed to address this issue for log... read more

Distance-Restraint-Guided Diffusion Models for Sampling Protein Conformational Changes and Ligand Dissociation Pathways.

Journal of chemical theory and computation May 7, 2026

Protein conformational dynamics and ligand binding processes are fundamental to biological function, yet their systematic sampling and thermodynamic characterization remain challenging. Here, we present a distance-restraint-guided inference method th... read more

A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era.

Journal of chemical theory and computation May 7, 2026

Molecular property prediction integrates quantum chemistry, cheminformatics, and deep learning to connect molecular structure with physicochemical and biological behavior. This survey traces four complementary paradigms, including Quantum, Descriptor... read more

Zero-Shot Neural Network Evaluation with Sample-Wise Activation Patterns.

IEEE transactions on pattern analysis and machine intelligence May 7, 2026

Zero-shot proxies, also known as training-free metrics, are widely adopted to reduce the computational overhead in neural network evaluation for scenarios such as Neural Architecture Search (NAS), as they do not require any training. Existing zero-sh... read more

Input-to-State Safety for Reinforcement Learning.

IEEE transactions on neural networks and learning systems May 7, 2026

In this article, we present a novel off-policy, safe reinforcement learning (RL) approach for nonlinear dynamical systems under input saturation that guarantees safe initialization, safe exploration, as well as safe learning of optimal control laws. ... read more

Explainable Multihop Social Link Prediction Based on Temporal Logical Rules in Dynamic Social Networks.

IEEE transactions on neural networks and learning systems May 7, 2026

The social link prediction poses a fundamental challenge in social network analysis, aiming to forecast missing interactions among users. Given the dynamic evolution mechanism of social networks, prevailing efforts have introduced embedding-based app... read more

MSFSNet: Multi-Source Few-Shot Adaptation Network for Cross-Subject Depression Recognition from EEG Signals.

IEEE journal of biomedical and health informatics May 7, 2026

Depression is a prevalent mental disorder with severe socio-economic implications, and its early identification and intervention are crucial for mitigating disease progression. However, existing machine learning and deep learning-based approaches for... read more

A Segmentation-Guided Feature Alignment and Fusion Network for Glioma IDH Genotyping.

IEEE journal of biomedical and health informatics May 7, 2026

Isocitrate dehydrogenase (IDH) is a pivotal molecular marker for glioma diagnosis, prognosis, and treatment planning. Multi-modal deep learning methods, which integrate features from multiple magnetic resonance imaging (MRI) sequences, have become a ... read more

SVGS: Enhancing Gaussian Splatting Using Primitives with Spatially Varying Colors.

IEEE transactions on visualization and computer graphics May 7, 2026

Gaussian Splatting demonstrates impressive results in multi-view reconstruction based on Gaussian explicit representations. However, the current Gaussian primitives only have a single view-dependent color and an opacity to represent the appearance an... read more

Artificial Intelligence Medical Compendium