Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new catalysts.

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific ...

Researchers present a new generative AI model that can simultaneously design catalyst structures and predict their performance under specific reaction conditions. CatDRX is a generative AI framework ...

Experiments were executed on NVIDIA A40 of 46068MiB memory in linux with torch==2.1.0+cu121, torch_geometric==2.3.1, torch-sparse==0.6.18+pt21cu121, and torchvision==0.16.0+cu121. The stkan is an ...

State Key Laboratory of Medical Proteomics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China University of Chinese Academy of Sciences, Beijing 100049, P.

AI is helping scientists crack the code on next-gen batteries that could replace lithium-ion tech. By discovering novel porous materials, researchers may have paved the way for more powerful and ...

Additional visualizations highlighting the comparison between the proposed two-stage AG-VQ-VAE network (without skip connections) and the single-stage AG-UNet (with skip connections) are presented.

We showcase a novel unsupervised learning method with a Convolutional Variational Autoencoder (CVAE) model that can automatically classify and cluster different types ...

Architecture Laboratory, Graduate School of Science, Technology and Innovation, Kobe University, Kobe, Japan Background: Microwave Doppler sensors, capable of detecting minute physiological movements, ...