The general model architecture of ViSNet. (a) Model sketch of ViSNet. ViSNet embeds the 3D structures of molecules and extracts the geometric information through a series of ViSNet blocks and outputs the molecule properties such as energy, forces, and HOMO-LUMO gap through an output block. (b) Flowchart of one ViSNet Block. One ViSNet block consists of two modules: i) Scalar2Vec, responsible for attaching scalar embeddings to vectors.; ii) Vec2Scalar. The inputs of Scalar2Vec are the node embedding, edge embedding, direction unit and the relative positions between two atoms.
Microsoft Research Blog

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Molecular geometry modeling is a powerful tool for understanding the intricate relationships between molecular structure and biological activity – a field known as structure-activity relationships (SAR). The main premise of SAR is that the biological activity of a molecule is…

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Awards | ACM SIGCHI

White is recognized for his significant and sustained contributions to human-computer interaction. He and his many collaborators have advanced our understanding of people’s interactions with information and developed innovative solutions that have improved search systems and helped address societal challenges.

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From intensifying natural disasters and food insecurity, to public health crises and forced migration, we live at a time of unprecedented climate risks. Each of us is exposed to these risks in a different way, and we do not all…

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After years of public service announcements and tools to help people kick the habit, smoking is still the leading cause of preventable disease and death. Globally, there are 1.3 billion active tobacco users and, every year, roughly 8 million people…

First page of the "Learning Hierarchical Prompt with Structured Linguistic Knowledge for Language Models" publication to the right of the AAAI conference on a blue and purple gradient background
Microsoft Research Blog

| Xinyang Jiang, Yubin Wang, Dongsheng Li, and Cairong Zhao

Using LLMs to create structured graphs of image descriptors can enhance the images generated by visual language models. Learn how structured knowledge can improve prompt tuning for both visual and language comprehension.

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Over the last decennia, scientific innovations in medicine significantly extended our life expectancy, while innovations in technology changed the way we deliver health and care. Despite these advances, today’s health challenges remain unprecedented: aging populations, the constant threat of climate…

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