COVID-19 demonstrates the importance of biosciences
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Challenges of AI in biomolecular systems Geometric dimensionality where N-5000 for a protein.
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Two schools of thinking
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Our Strategy
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Classical Topology Mobius Strips (1858) Klein Bottle (1882)
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Topological invariants: Betti numbers
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Vietoris-Rips complexes of planar point sets
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Algebraic Topology Vietoris-Rips complexes, persistent homology and topological fingerprint
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Topological fingerprints of an alpha helix
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Persistent cohomology incorporating non-geometric information in topology
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Differential geometry based minimal surface model
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Differential Geometry (Connections & curvature forms) Gauss Mean
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De Rham-Hodge theory and discrete exterior calculus Hodge decomposition
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Evolutionary de Rham-Hodge Filtration of a manifold
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Algebraic Graph Theory for Biomolecules
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Persistent Spectral Graph (Persistent Laplacian)
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Mathematical deep learning
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Drug Design Data Resource (D3R) Grand Challenges
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Life cycle of SARS-CoV-2 in host cells
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Mutation Tracker
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Mutations Strengthened SARS
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We predicted key mutation sites in prevailing variants Mutations at 501 and 452 in prevailing SARS-CoV-2 variants
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We discovered the mechanism of viral transmission and evolution
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Mutation-induced binding free energy changes for spike protein-ACE-2 complex (more infectious)
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Genome-Math-Al modeling of protein-protein binding affinity changes following mutations
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Atlas of emerging variants
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Geometric Differential topology topology
Description:
Explore how mathematics and artificial intelligence are revolutionizing biosciences in this 47-minute lecture by Guo-Wei Wei. Delve into the challenges of applying AI to biological discovery, including the structural complexity of macromolecules and high dimensionality of biological variability. Learn about innovative mathematical approaches such as evolutionary de Rham-Hodge theory, persistent cohomology, and persistent spectral graph theory, which enhance AI's ability to handle large biological datasets. Discover how these techniques have been successfully applied to computer-aided drug design, predicting SARS-CoV-2 variants, and understanding viral mutations. Gain insights into the intersection of classical topology, algebraic topology, differential geometry, and graph theory with modern biological problems. Understand the importance of reducing complexity in biological data and how mathematical AI approaches are advancing our understanding of life sciences, from molecular structures to viral evolution.
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