Scientific Computing using Python
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1 Scientific Computing using Python Swaprava Nath Dept. of CSE IIT Kanpur mini-course webpage: Disclaimer: the contents of this lecture series are based on several texts and online resources
2 Outline of the Talk 1 Part 1: Preliminaries of Python 2 Part 2: Scientific Libraries 3 Part 3: Object Oriented Programming 1 / 23 Swaprava Nath Python
3 Outline of the Talk 1 Part 1: Preliminaries of Python 2 Part 2: Scientific Libraries 3 Part 3: Object Oriented Programming 2 / 23 Swaprava Nath Python
4 What is Python? Python is a general purpose programming language conceived in 1989 by Dutch programmer Guido van Rossum 3 / 23 Swaprava Nath Python
5 What is Python? Python is a general purpose programming language conceived in 1989 by Dutch programmer Guido van Rossum Python is free and open source, with development coordinated through the Python Software Foundation, 3 / 23 Swaprava Nath Python
6 What is Python? Python is a general purpose programming language conceived in 1989 by Dutch programmer Guido van Rossum Python is free and open source, with development coordinated through the Python Software Foundation, Python has experienced rapid adoption in the last decade, and is now one of the most popular programming languages 3 / 23 Swaprava Nath Python
7 What is Python? Python is a general purpose programming language conceived in 1989 by Dutch programmer Guido van Rossum Python is free and open source, with development coordinated through the Python Software Foundation, Python has experienced rapid adoption in the last decade, and is now one of the most popular programming languages Typical application domains: scientific computing simulations web development graphical user interfaces games data processing 3 / 23 Swaprava Nath Python
8 What is Python? Python is a general purpose programming language conceived in 1989 by Dutch programmer Guido van Rossum Python is free and open source, with development coordinated through the Python Software Foundation, Python has experienced rapid adoption in the last decade, and is now one of the most popular programming languages Typical application domains: scientific computing simulations web development graphical user interfaces games data processing Commercial usage: Google, Dropbox, Reddit, YouTube, Walt Disney Animations, Cisco, Intel etc. 3 / 23 Swaprava Nath Python
9 What is Python? Python is a general purpose programming language conceived in 1989 by Dutch programmer Guido van Rossum Python is free and open source, with development coordinated through the Python Software Foundation, Python has experienced rapid adoption in the last decade, and is now one of the most popular programming languages Typical application domains: scientific computing simulations web development graphical user interfaces games data processing Commercial usage: Google, Dropbox, Reddit, YouTube, Walt Disney Animations, Cisco, Intel etc. Academic usage: companion of many courses for 101 CS courses or for supportive computing 3 / 23 Swaprava Nath Python
10 Relative popularity of Python Image courtesy: The plot, produced using Stack Overflow Trends, shows one measure of the relative popularity of Python 4 / 23 Swaprava Nath Python
11 Features High-level language, useful for rapid development 5 / 23 Swaprava Nath Python
12 Features High-level language, useful for rapid development Relatively small core language supported by many libraries 5 / 23 Swaprava Nath Python
13 Features High-level language, useful for rapid development Relatively small core language supported by many libraries Multiparadigm language the style of building the structure and elements of computer programs can be procedural based on routines/subroutines 5 / 23 Swaprava Nath Python
14 Features High-level language, useful for rapid development Relatively small core language supported by many libraries Multiparadigm language the style of building the structure and elements of computer programs can be procedural based on routines/subroutines object-oriented created on abstract objects 5 / 23 Swaprava Nath Python
15 Features High-level language, useful for rapid development Relatively small core language supported by many libraries Multiparadigm language the style of building the structure and elements of computer programs can be procedural based on routines/subroutines object-oriented created on abstract objects functional treats computation as the evaluation of mathematical functions 5 / 23 Swaprava Nath Python
16 Features High-level language, useful for rapid development Relatively small core language supported by many libraries Multiparadigm language the style of building the structure and elements of computer programs can be procedural based on routines/subroutines object-oriented created on abstract objects functional treats computation as the evaluation of mathematical functions Usually implemented as interpreted as opposed to compiled (e.g. in C) 5 / 23 Swaprava Nath Python
17 Features High-level language, useful for rapid development Relatively small core language supported by many libraries Multiparadigm language the style of building the structure and elements of computer programs can be procedural based on routines/subroutines object-oriented created on abstract objects functional treats computation as the evaluation of mathematical functions Usually implemented as interpreted as opposed to compiled (e.g. in C) Syntax and design of a python code makes it easier to read, debug, and develop 5 / 23 Swaprava Nath Python
18 Suitability for Scientific Computation Availability of relevant libraries 6 / 23 Swaprava Nath Python
19 Suitability for Scientific Computation Availability of relevant libraries numpy numerical computation, e.g., arrays, matrices, and operations on them 6 / 23 Swaprava Nath Python
20 Suitability for Scientific Computation Availability of relevant libraries numpy numerical computation, e.g., arrays, matrices, and operations on them scipy mathematical operations, e.g., linear algebra, optimization, integration etc. 6 / 23 Swaprava Nath Python
21 Suitability for Scientific Computation Availability of relevant libraries numpy numerical computation, e.g., arrays, matrices, and operations on them scipy mathematical operations, e.g., linear algebra, optimization, integration etc. matplotlib all kinds of plotting, 2D and 3D 6 / 23 Swaprava Nath Python
22 Suitability for Scientific Computation Availability of relevant libraries numpy numerical computation, e.g., arrays, matrices, and operations on them scipy mathematical operations, e.g., linear algebra, optimization, integration etc. matplotlib all kinds of plotting, 2D and 3D pandas for data handling 6 / 23 Swaprava Nath Python
23 Suitability for Scientific Computation Availability of relevant libraries numpy numerical computation, e.g., arrays, matrices, and operations on them scipy mathematical operations, e.g., linear algebra, optimization, integration etc. matplotlib all kinds of plotting, 2D and 3D pandas for data handling used in data science, machine learning, artificial intelligence, computational biology, computational physics, quatitative economics etc. 6 / 23 Swaprava Nath Python
24 Example in action 2D plot A plot of surprise in the Brexit election Fraction of shocked minority population Intra-conn prob = 0.8, Inter-conn prob = 0.8 Bias = 0.01 Bias = 0.05 Bias = 0.1 Bias = w G = 1 w I, weight of global observation Used pandas, numpy, matplotlib 7 / 23 Swaprava Nath Python
25 Example in action 3D plot X Y Z / 23 Swaprava Nath Python
26 Setting up Your Python Environment Native python2.7 is available in any linux distribution Need to install the libraries 9 / 23 Swaprava Nath Python
27 Setting up Your Python Environment Native python2.7 is available in any linux distribution Need to install the libraries An alternative python distribution is by anaconda We will use the native python with libraries and an IDE 9 / 23 Swaprava Nath Python
28 Setting up Your Python Environment Native python2.7 is available in any linux distribution Need to install the libraries An alternative python distribution is by anaconda We will use the native python with libraries and an IDE Convenient to use an IDE integrated development environment jupyter-notebook spyder 9 / 23 Swaprava Nath Python
29 Setting up Your Python Environment Native python2.7 is available in any linux distribution Need to install the libraries An alternative python distribution is by anaconda We will use the native python with libraries and an IDE Convenient to use an IDE integrated development environment jupyter-notebook spyder jupyter-notebook is useful for testing snippets of code and displaying 9 / 23 Swaprava Nath Python
30 Setting up Your Python Environment Native python2.7 is available in any linux distribution Need to install the libraries An alternative python distribution is by anaconda We will use the native python with libraries and an IDE Convenient to use an IDE integrated development environment jupyter-notebook spyder jupyter-notebook is useful for testing snippets of code and displaying spyder is useful for a long codebase development Examples 9 / 23 Swaprava Nath Python
31 Some Introductory Python Programs Task 1: finding if a number is even/odd if-else clause Task 2: finding the smallest of three numbers Task 3: finding if a natural number is prime or not while loop and for loop Notice the indentation and absence of any braces or brackets Makes the code clutter-free and more readable 10 / 23 Swaprava Nath Python
32 More Examples of Loops and Conditionals Finding square root of a non-negative integer n handling exceptions 11 / 23 Swaprava Nath Python
33 More Examples of Loops and Conditionals Finding square root of a non-negative integer n handling exceptions x t+1 = 1 ) (x t + nxt 2 11 / 23 Swaprava Nath Python
34 More Examples of Loops and Conditionals Finding square root of a non-negative integer n handling exceptions x t+1 = 1 ) (x t + nxt 2 Finding r-th root of any non-negative number n bisection method 11 / 23 Swaprava Nath Python
35 More Examples of Loops and Conditionals Finding square root of a non-negative integer n handling exceptions x t+1 = 1 ) (x t + nxt 2 Finding r-th root of any non-negative number n bisection method h = n, l = 0, guess = h + l 2 if guess r > n : h = guess else : l = guess 11 / 23 Swaprava Nath Python
36 More Examples of Loops and Conditionals Finding square root of a non-negative integer n handling exceptions x t+1 = 1 ) (x t + nxt 2 Finding r-th root of any non-negative number n bisection method h = max{1, n}, l = 0, guess = h + l 2 if guess r > n : h = guess else : l = guess 11 / 23 Swaprava Nath Python
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