Abstract Machine learning, particularly graph learning, is gaining increasing recognition for its transformative impact across various fields. One such promising application is in the …
While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty …
Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research …
Metamaterials, synthetic materials with customized properties, have emerged as a promising field due to advancements in additive manufacturing. These materials derive unique …
Biologists frequently desire protein inhibitors for a variety of reasons, including use as research tools for understanding biological processes and application to societal problems …
Generating novel molecules is challenging, with most representations leading to generative models producing many invalid molecules. Spanning Tree-based Graph Generation (STGG) …
Polymeric membranes have become essential for energy-efficient gas separations such as natural gas sweetening, hydrogen separation, and carbon dioxide capture. Polymeric …
The data on user behaviors is sparse given the vast array of useritem combinations. Attributes related to users (eg, age), items (eg, brand), and behaviors (eg, co-purchase) …