Microsoft Research
AI for Science
Projects
Molecular dynamics is a task for understanding and predicting physicochemical property of real-world substances from the fundamental rule of physics. It provides solution from the first principle for various impactful problems, including developing new materials with desired properties, predicting stable…
A flexible 3D foundation model of the atmosphere. Aurora, developed by a team of Microsoft researchers, is a cutting-edge AI foundation model that can extract valuable insights from vast amounts of atmospheric data. This 1.3 billion parameter model excels at…
Life is ruled by biological sequences and molecules, i.e. DNA, RNA, and protein sequences, following the de facto ‘natural’ language of biology. Understanding how these biomolecular behaves and interacts with each other can help with millions of lives that are…
As Paris Agreement entered into force, countries take further steps to limit Greenhouse Gases emissions. China pledges to peak its CO2 emissions by 2030 and achieves net-zero no later than 2060, implying rapid and dramatic decarbonization actions across all sectors.…
Materials play an important role in energy storage and carbon capture. Particularly, energy storage is indispensable for efficient use of renewable energy and finding better materials for energy storage has long been hot research topics. Moreover, since carbon capture is…
Understanding many sustainability issues relates fundamentally to PDEs, from macroscope to microscope, such as navier stokes equation and Schrödinger equations. Solving these PDEs enables us to understand and forecast the world and is a critical task in our pursue of…
Established:
The process for developing new drugs is incredibly complex, requiring the evaluation of hundreds of thousands of candidate compounds before a project reaches the clinical trial stage. This process is slow, costly, and requires immense amounts of expert time. In…
Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecule science, such as material discovery, drug discovery, etc. Now…
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Gradient Boosting Decision Tree (GBDT) is a popular machine learning algorithm, and has quite a few effective implementations. Although many engineering optimizations have been adopted in these implementations, the efficiency and scalability are still unsatisfactory when the feature dimension is…