Computational Geometry in Python

To illustrate a few advantages of the scipy stack in one of my upcoming talks, I have placed an ipython notebook with (a reduced version of) the current draft of Chapter 6 (Computational Geometry) of my upcoming book: Mastering SciPy.

The raw ipynb can be downloaded from my github repository [blancosilva/Mastering-Scipy/], or viewed directly from the nbviewer at [this other link]

I also made a selection with some fun examples for the talk. You can download the presentation by clicking in the image above.

Enjoy!

Robot stories

Every summer before school was over, I was assigned a list of books to read. Mostly nonfiction and historical fiction, but in fourth grade there that was that first science fiction book. I often remember how that book made me feel, and marvel at the impact that it had in my life. I had read some science fiction before—Well’s Time Traveller and War of the Worlds—but this was different. This was a book with witty and thought-provoking short stories by Isaac Asimov. Each of them delivered drama, comedy, mystery and a surprise ending in about ten pages. And they had robots. And those robots had personalities, in spite of their very simple programming: The Three Laws of Robotics.

1. A robot may not injure a human being or, through inaction, allow a human being to come to harm.
2. A robot must obey the orders given to it by human beings, except where such orders would conflict with the First Law.
3. A robot must protect its own existence as long as such protection does not conflict with the First or Second Law.

Back in the 1980s, robotics—understood as autonomous mechanical thinking—was no more than a dream. A wonderful dream that fueled many children’s imaginations and probably shaped the career choices of some. I know in my case it did.

Fast forward some thirty-odd years, when I met Astro: one of three research robots manufactured by the French company Aldebaran. This NAO robot found its way into the computer science classroom of Tom Simpson in Heathwood Hall Episcopal School, and quickly learned to navigate mazes, recognize some student’s faces and names, and even dance the Macarena! It did so with effortless coding: a basic command of the computer language python, and some idea of object oriented programming.

I could not let this opportunity pass. I created a small undergraduate team with Danielle Talley from USC (a brilliant sophomore in computer engineering, with a minor in music), and two math majors from Morris College: my Geometry expert Fabian Maple, and a McGyver-style problem solver, Wesley Alexander. Wesley and Fabian are supported by a Department of Energy-Environmental Management grant to Morris College, which funds their summer research experience at USC. Danielle is funded by the National Science Foundation through the Louis Stokes South Carolina-Alliance for Minority Participation (LS-SCAMP).

They spent the best of their first week on this project completing a basic programming course online. At the same time, the four of us reviewed some of the mathematical tools needed to teach Astro new tricks: basic algebra and trigonometry, basic geometry, and basic calculus and statistics. The emphasis—I need to point out in case you missed it—is in the word basic.

Talk the talk

The psychologist seated herself and watched Herbie narrowly as he took a chair at the other side of the table and went through the three books systematically.

At the end of half an hour, he put them down, “Of course, I know why you brought these.”

The corner of Dr. Calvin’s lip twitched, “I was afraid you would. It’s difficult to work with you, Herbie. You’re always a step ahead of me.”

“It’s the same with these books, you know, as with the others. They just don’t interest me. There’s nothing to your textbooks. Your science is just a mass of collected data plastered together by makeshift theory — and all so incredibly simple, that it’s scarcely worth bothering about.”

“It’s your fiction that interests me. Your studies of the interplay of human motives and emotions” – his mighty hand gestured vaguely as he sought the proper words.

Liar!
— Isaac Asimov

Astro can understand what I say, and maintain conversations with me. He has four microphones for voice recognition and sound localization, and two speakers for text-to-speech synthesis. But he sometimes gets confused: I say “acute”, and he understands “abide,” for example. This might sound frustrating by all standards. But mathematicians can’t be judged by any reasonable standard. Far from seeing this as a shortcoming, my team used as motivation the mechanics behind his speech recognition functionality, and they wrote some code to turn him into an expert Mastermind player.

Wait, what? How are these two things possibly connected?

Since Astro’s hearing is far from perfect, when he hears a word which is not clear, he gathers a short list of possible candidates. He then chooses the most likely guess based upon different considerations—using clues from context, for example. Based on similar strategies, he can be taught to be a perfect player of 5-letter-word Mastermind: Pick any five-letter word in the English language. Any word, provided it has no repeated letters. Astro chooses one random word as his first guess, and requests a score like in Mastermind.

To illustrate this process, I will show you how the game went when I chose Fabian’s favorite word: “acute.”

Astro: Is it firth?
Me   : NO
Astro: How many letters of my guess are in your word, in the right position?
       How many letters of my guess are in your word, in the wrong position?
Me   : 1, 0
Astro: Is it foams?
Me   : NO
Astro: How many letters of my guess are in your word, in the right position?
       How many letters of my guess are in your word, in the wrong position?
Me   : 0, 1
Astro: Is it junta?
Me   : NO
Astro: How many letters of my guess are in your word, in the right position?
       How many letters of my guess are in your word, in the wrong position?
Me   : 1, 2
Astro: Is it acute?
Me   : YES
Astro: Wonderful, I found it in 4 attempts!

I don’t want to get too technical here, but will mention some of the ideas. The main algorithm is based on techniques of numerical root finding and solving nonlinear equations — nothing complex: high-school level bracketing by bisection, or Newton’s method. To design better winning strategies, my team exploits the benefits of randomness. The analysis of this part is done with basic probability and statistics.

Walk the walk

Donovan’s pencil pointed nervously. “The red cross is the selenium pool. You marked it yourself.”

“Which one is it?” interrupted Powell. “There were three that MacDougal located for us before he left.”

“I sent Speedy to the nearest, naturally; seventeen miles away. But what difference does that make?” There was tension in his voice. “There are penciled dots that mark Speedy’s position.”

And for the first time Powell’s artificial aplomb was shaken and his hands shot forward for the man.

“Are you serious? This is impossible.”

“There it is,” growled Donovan.

The little dots that marked the position formed a rough circle about the red cross of the selenium pool. And Powell’s fingers went to his brown mustache, the unfailing signal of anxiety.

Donovan added: “In the two hours I checked on him, he circled that damned pool four times. It seems likely to me that he’ll keep that up forever. Do you realize the position we’re in?”

Runaround
— Isaac Asimov

Astro moves around too. It does so thanks to a sophisticated system combining one accelerometer, one gyrometer and four ultrasonic sensors that provide him with stability and positioning within space. He also enjoys eight force-sensing resistors and two bumpers. And that is only for his legs! He can move his arms, bend his elbows, open and close his hands, or move his torso and neck (up to 25 degrees of freedom for the combination of all possible joints). Out of the box, and without much effort, he can be coded to walk around, although in a mechanical way: He moves forward a few feet, stops, rotates in place or steps to a side, etc. A very naïve way to go from A to B retrieving an object at C, could be easily coded in this fashion as the diagram shows:

Fabian and Wesley devised a different way to code Astro taking full advantage of his inertial measurement unit. This will allow him to move around smoothly, almost like a human would. The key to their success? Polynomial interpolation and plane geometry. For advanced solutions, they need to learn about splines, curvature, and optimization. Nothing they can’t handle.

Sing me a song

He said he could manage three hours and Mortenson said that would be perfect when I gave him the news. We picked a night when she was going to be singing Bach or Handel or one of those old piano-bangers, and was going to have a long and impressive solo.

Mortenson went to the church that night and, of course, I went too. I felt responsible for what was going to happen and I thought I had better oversee the situation.

Mortenson said, gloomily, “I attended the rehearsals. She was just singing the same way she always did; you know, as though she had a tail and someone was stepping on it.”

One Night of Song
— Isaac Asimov

Astro has excellent eyesight and understanding of the world around him. He is equipped with two HD cameras, and a bunch of computer vision algorithms, including facial and shape recognition. Danielle’s dream is to have him read from a music sheet and sing or play the song in a toy piano. She is very close to completing this project: Astro is able now to identify partitures, and extract from them the location of the pentagrams. Danielle is currently working on identifying the notes and the clefs. This is one of her test images, and the result of one of her early experiments:

Most of the techniques Danielle is using are accessible to any student with a decent command of vector calculus, and enough scientific maturity. The extraction of pentagrams and the different notes on them, for example, is performed with the Hough transform. This is a fancy term for an algorithm that basically searches for straight lines and circles by solving an optimization problem in two or three variables.

The only thing left is an actual performance. Danielle will be leading Fabian and Wes, and with the assistance of Mr. Simpson’s awesome students Erica and Robert, Astro will hopefully learn to physically approach the piano, choose the right keys, and play them in the correct order and speed. Talent show, anyone?

Book presentation at the USC Python Users Group

Buy my book!

Well, ok, it is not my book technically, but I am one of the authors of one of the chapters. And no, as far as I know, I don’t get a dime of the sales in concept of copyright or anything else.

As the title suggests (Modeling Nanoscale Imaging in Electron Microscopy), this book presents some recent advances that have been made using mathematical methods to resolve problems in electron microscopy. With improvements in hardware-based aberration software significantly expanding the nanoscale imaging capabilities of scanning transmission electron microscopes (STEM), these mathematical models can replace some labor intensive procedures used to operate and maintain STEMs. This book, the first in its field since 1998, covers relevant concepts such as super-resolution techniques (that’s my contribution!), special de-noising methods, application of mathematical/statistical learning theory, and compressed sensing.

We even got a nice review in Physics Today by Les Allen, no less!

Imaging with electrons, in particular scanning transmission electron microscopy (STEM), is now in widespread use in the physical and biological sciences. And its importance will only grow as nanotechnology and nano-Biology continue to flourish. Many applications of electron microscopy are testing the limits of current imaging capabilities and highlight the need for further technological improvements. For example, high throughput in the combinatorial chemical synthesis of catalysts demands automated imaging. The handling of noisy data also calls for new approaches, particularly because low electron doses are used for sensitive samples such as biological and organic specimens.

Modeling Nanoscale Imaging in Electron Microscopy addresses all those issues and more. Edited by Thomas Vogt and Peter Binev at the University of South Carolina (USC) and Wolfgang Dahmen at RWTH Aachen University in Germany, the book came out of a series of workshops organized by the Interdisciplinary Mathematics Institute and the NanoCenter at USC. Those sessions took the unusual but innovative approach of bringing together electron microscopists, engineers, physicists, mathematicians, and even a philosopher to discuss new strategies for image analysis in electron microscopy.

In six chapters, the editors tackle the ambitious challenge of bridging the gap between high-level applied mathematics and experimental electron microscopy. They have met the challenge admirably. I believe that high-resolution electron microscopy is at a point where it will benefit considerably from an influx of new mathematical approaches, daunting as they may seem; in that regard Modeling Nanoscale Imaging in Electron Microscopy is a major step forward. Some sections present a level of mathematical sophistication seldom encountered in the experimentally focused electron-microscopy literature.
The first chapter, by philosopher of science Michael Dickson, looks at the big picture by raising the question of how we perceive nano-structures and suggesting that a Kantian approach would be fruitful. The book then moves into a review of the application of STEM to nanoscale systems, by Nigel Browning, a leading experimentalist in the field, and other well-known experts. Using case studies, the authors show how beam-sensitive samples can be studied with high spatial resolution, provided one controls the beam dose and establishes the experimental parameters that allow for the optimum dose.

The third chapter, written by image-processing experts Sarah Haigh and Angus Kirkland, addresses the reconstruction, from atomic-resolution images, of the wave at the exit surface of a specimen. The exit surface wave is a fundamental quantity containing not only amplitude (image) information but also phase information that is often intimately related to the atomic-level structure of the specimen. The next two chapters, by Binev and other experts, are based on work carried out using the experimental and computational resources available at USC. Examples in chapter four address the mathematical foundations of compressed sensing as applied to electron microscopy, and in particular high-angle annular dark-field STEM. That emerging approach uses randomness to extract the essential content from low-information signals. Chapter five eloquently discusses the efficacy of analyzing several low-dose images with specially adapted digital-image-processing techniques that allow one to keep the cumulative electron dose low and still achieve acceptable resolution.

The book concludes with a wide-ranging discussion by mathematicians Amit Singer and Yoel Shkolnisky on the reconstruction of a three-dimensional object via projected data taken at random and initially unknown object orientations. The discussion is an extension of the authors’ globally consistent angular reconstitution approach for recovering the structure of a macromolecule using cryo-electron microscopy. That work is also applicable to the new generation of x-ray free-electron lasers, which have similar prospective applications, and illustrates nicely the importance of applied mathematics in the physical sciences.

Modeling Nanoscale Imaging in Electron Microscopy will be an important resource for graduate students and researchers in the area of high-resolution electron microscopy.

(Les J. Allen, Physics Today, Vol. 65 (5), May, 2012)

Table of contents	Preface	Sample chapter

So you want to be an Applied Mathematician

The way of the Applied Mathematician is one full of challenging and interesting problems. We thrive by association with the Pure Mathematician, and at the same time with the no-nonsense, hands-in, hard-core Engineer. But not everything is happy in Applied Mathematician land: every now and then, we receive the disregard of other professionals that mistake either our background, or our efficiency at attacking real-life problems.

I heard from a colleague (an Algebrist) complains that Applied Mathematicians did nothing but code solutions of partial differential equations in Fortran—his skewed view came up after a naïve observation of a few graduate students working on a project. The truth could not be further from this claim: we do indeed occasionally solve PDEs in Fortran—I give you that—and we are not ashamed to admit it. But before that job has to be addressed, we have gone through a great deal of thinking on how to better code this simple problem. And you would not believe the huge amount of deep Mathematics that are involved in this journey: everything from high-level Linear Algebra, Calculus of Variations, Harmonic Analysis, Differential Geometry, Microlocal Analysis, Functional Analysis, Dynamical Systems, the Theory of Distributions, etc. Not only are we familiar with the basic background on all those fields, but also we are supposed to be able to perform serious research on any of them at a given time.

My soon-to-be-converted Algebrist friend challenged me—not without a hint of smugness in his voice—to illustrate what was my last project at that time. This was one revolving around the idea of frames (think of it as redundant bases if you please), and needed proving a couple of inequalities involving sequences of functions in —spaces, which we attacked using a beautiful technique: Bellman functions. About ninety minutes later he conceded defeat in front of the board where the math was displayed. He promptly admitted that this was no Fortran code, and showed a newfound respect and reverence for the trade.

It doesn’t hurt either that the kind of problems that we attack are more likely to attract funding. And collaboration. And to be noticed in the press.

Alright, so some of you are sold already. What is the next step? I am assuming that at his point you own your Calculus, Analysis, Probability and Statistics, Linear Programming, Topology, Geometry, Physics and you are able to solve most known ODEs. From here, as with any other field, my recommendation is to slowly build a Batman belt: acquire and devour a sequence of books and scientific articles, until you are very familiar with their contents. When facing a new problem, you should be able to recall from your Batman belt what technique could work best, in which book(s) you could get some references, and how it has been used in the past for related problems.

Following these lines, I have included below an interesting collection with the absolutely essential books that, in my opinion, every Applied Mathematician should start studying: