AI with Advanced Math helps in discovering new drugs

https://theconversation.com/i-build-mathematical-programs-that-could-discover-the-drugs-of-the-future-110689?from=timeline

Advanced Mathematical Methods with AI is a powerful tool:

  • Algebraic Topology (Persistent Homology)
  • Differential Geometry
  • Graph Theory

https://sinews.siam.org/Details-Page/mathematical-molecular-bioscience-and-biophysics-1

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代 数拓扑 Algebraic Topology (Part 1/3)

Excellent Advanced Math Lecture Series (Part 1 to 3) by 齊震宇老師

(2012.09.10) Part I:

History: 1900 H. Poincaré invented Topology from Euler Characteristic (V -E + R = 2)

Motivation of Algebraic Topology : Find Invariants [1]of various topological spaces (in higher dimension). 求拓扑空间的“不变量” eg.

  • Vector Space (to + – , × ÷ by multiplier Field scalars);
  • Ring (to + x) in co-homology
  • etc.

then apply algebra (Linear Algebra, Matrices) with computer to compute these invariants  (homology, co-homology, etc).

A topological space can be formed by a “Big Data” Point Set, e.g. genes, tumors, drugs, images, graphics, etc. By finding (co)- / homology – hence the intuitive Chinese term (上) /同调 [2] – is to find “holes” in the Big Data in the 10,000 (e.g.) dimensional space the hidden information (co-relationship, patterns, etc).
Note: [1] Analogy of an”Invariant” in Population: eg. “Age” is an invariant can be added in the “Population Space” as the average age of the citizens.

Side Reading (Very Clear) : Invariant and the Fundamental Group Primer

Note [2]: Homology 同调 = same “tune”.

南朝 刘宋 谢灵运山水诗:
“谁谓古今殊,异代可同调
同调 = Homology
(希腊 homo = 同, -logy = 知识 / 调)

– “Reading an ancient text  allows us to think “in tune” (or resonant) with the ancient author.”

[温习] Category Theory Foundation – 3 important concepts:

  • Categories
  • Functors
  • Natural Transformation

[Skip if you are familiar with Category Theory Basics: Video 16:30 mins to 66:00 mins.]


[主题] Singular Homology Groups 奇异同调群  (See excellent writeup in Wikipedia) (Video 66:20 mins to end)

  1. Singular Simplices 奇异 单纯
  2. Singular Chain Groups 奇异 链 群
  3. Boundary Operation 边界
  4. Singular Chain Complex 奇异 单纯复形

Part 1/3 Video (Whole) :

Darcy Lecture 5 ~ 9: Applied Algebraic Topology

[Revision – Lecture 1 ~4: Foundation of Applied Algebraic Topology

Lecture 6: Creating Simplicial Complex]

Lecture 5: 4/9/2013 (三)  Clustering Via Persistent Homology

Lecture 7: 6/9/2013 (五) Calculating Homology using matrix

Lecture 8: Column Space and Null Space of a matrix



Lecture 9: 9/9/2013 (一)  Create your own Homology: (Important lecture in Applied Algebraic Topology)

Ref:
http://slideplayer.com/slide/9473277/