There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Machine Learning is the study of methods for programming computers to learn. Computers are applied to a wide range of tasks, and for most of these it is relatively easy for programmers to design and implement the necessary software. However, there are many tasks for which this is difficult or impossible. These can be divided into four general categories. First, there are problems for which there exist no human experts. For example, in modern automated manufacturing facilities, there is a need to predict machine failures before they occur by analyzing sensor readings. Because the machines are new, there are no human experts who can be interviewed by a programmer to provide the knowledge necessary to build a computer system. A machine learning system can study recorded data and subsequent machine failures and learn prediction rules. Second, there are problems where human experts exist, but where they are unable to explain their expertise. This is the case in many perceptual tasks, such as speech recognition, hand-writing recognition, and natural language understanding. Virtually all humans exhibit expert-level abilities on these tasks, but none of them can describe the detailed steps that they follow as they perform them. Fortunately, humans can provide machines with examples of the inputs and correct outputs for these tasks, so machine learning algorithms can learn to map the inputs to the outputs. Third, there are problems where phenomena are changing rapidly. In finance, for example, people would like to predict the future behavior of the stock market, of consumer purchases, or of exchange rates. These behaviors change frequently, so that even if a programmer could construct a good predictive computer program, it would need to be rewritten frequently. A learning program can relieve the programmer of this burden by constantly modifying and tuning a set of learned prediction rules. Fourth, there are applications that need to be customized for each computer user separately. Consider, for example, a program to filter unwanted electronic mail messages. Different users will need different filters. It is unreasonable to expect each user to program his or her own rules, and it is infeasible to provide every user with a software engineer to keep the rules up-to-date. A machine learning system can learn which mail messages the user rejects and maintain the filtering rules automatically. Machine learning addresses many of the same research questions as the fields of statistics, data mining, and psychology, but with differences of emphasis. Statistics focuses on understanding the phenomena that have generated the data, often with the goal of testing different hypotheses about those phenomena. Data mining seeks to find patterns in the data that are understandable by people. Psychological studies of human learning aspire to understand the mechanisms underlying the various learning behaviors exhibited by people (concept learning, skill acquisition, strategy change, etc.).

Machine learning

A multiple sequence alignment program, MAFFT, has been developed. The CPU time is drastically reduced as compared with existing methods. MAFFT includes two novel techniques. (i) Homologous regions are rapidly identified by the fast Fourier transform (FFT), in which an amino acid sequence is converted to a sequence composed of volume and polarity values of each amino acid residue. (ii) We propose a simplified scoring system that performs well for reducing CPU time and increasing the accuracy of alignments even for sequences having large insertions or extensions as well as distantly related sequences of similar length. Two different heuristics, the progressive method (FFT-NS-2) and the iterative refinement method (FFT-NS-i), are implemented in MAFFT. The performances of FFT-NS-2 and FFT-NS-i were compared with other methods by computer simulations and benchmark tests; the CPU time of FFT-NS-2 is drastically reduced as compared with CLUSTALW with comparable accuracy. FFT-NS-i is over 100 times faster than T-COFFEE, when the number of input sequences exceeds 60, without sacrificing the accuracy.

/pdf/mafft-a-novel-method-for-rapid-multiple-sequence-alignment-485azc27cn.pdf

MAFFT: a novel method for rapid multiple sequence alignment based on fast Fourier transform

BIOE 402. Medical Technology Assessment. 2 or 3 hours. Bioentrepreneur course. Assessment of medical technology in the context of commercialization. Objectives, competition, market share, funding, pricing, manufacturing, growth, and intellectual property; many issues unique to biomedical products. Course Information: 2 undergraduate hours. 3 graduate hours. Prerequisite(s): Junior standing or above and consent of the instructor.

“Bioinformatics” 특집을 내면서

We present two algorithms for the approximate nearest neighbor problem in high-dimensional spaces. For data sets of size n living in R d , the algorithms require space that is only polynomial in n and d, while achieving query times that are sub-linear in n and polynomial in d. We also show applications to other high-dimensional geometric problems, such as the approximate minimum spanning tree. The article is based on the material from the authors' STOC'98 and FOCS'01 papers. It unifies, generalizes and simplifies the results from those papers.

/pdf/approximate-nearest-neighbors-towards-removing-the-curse-of-27lmlz5prr.pdf

Approximate nearest neighbors: towards removing the curse of dimensionality

The materials discovery process can be significantly expedited and simplified if we can learn effectively from available knowledge and data. In the present contribution, we show that efficient and accurate prediction of a diverse set of properties of material systems is possible by employing machine (or statistical) learning methods trained on quantum mechanical computations in combination with the notions of chemical similarity. Using a family of one-dimensional chain systems, we present a general formalism that allows us to discover decision rules that establish a mapping between easily accessible attributes of a system and its properties. It is shown that fingerprints based on either chemo-structural (compositional and configurational information) or the electronic charge density distribution can be used to make ultra-fast, yet accurate, property predictions. Harnessing such learning paradigms extends recent efforts to systematically explore and mine vast chemical spaces, and can significantly accelerate the discovery of new application-specific materials.

/pdf/accelerating-materials-property-predictions-using-machine-1jh6r955hv.pdf

Accelerating materials property predictions using machine learning

Using the popular object-oriented language C++, this book incorporates the latest research and state-of-the-art applications while focusing on design techniques rather than on individual algorithms.

Computer Algorithms C

This paper assumes a parallel RAM (random access machine) model which allows both concurrent reads and concurrent writes of a global memory.The main result is an optimal randomized parallel algorithm for INTEGER_SORT (i.e., for sorting n integers in the range $[1,n]$). This algorithm costs only logarithmic time and is the first known that is optimal: the product of its time and processor bounds is upper bounded by a linear function of the input size. Also given is a deterministic sublogarithmic time algorithm for prefix sum. In addition this paper presents a sublogarithmic time algorithm for obtaining a random permutation of n elements in parallel. And finally, sublogarithmic time algorithms for GENERAL_SORT and INTEGER_SORT are presented. Our sub-logarithmic GENERAL_SORT algorithm is also optimal.

Optimal and sublogarithmic time randomized parallel sorting algorithms

An online transaction is effected between a user system, a merchant system and an issuer system. The user system generates a one-time number (OTN) to use as a card number for a transaction with the merchant. The user system generates the OTN as a function of various parameters and sends the OTN to the issuer and to the merchant. With the issuer communication, the user is first authenticated, so the issuer can associate the received OTN with the user even if the user's identity cannot be fully discerned from the OTN alone. In authenticating the user with the issuer, and possibly other authentications, the user sends the issuer a signed challenge where the challenge is a sequential challenge or a function of a prior challenge provided by the issuer. The issuer responds with an approval/denial message and, in the latter case, includes the next challenge to be used.

One-time credit card number generator and single round-trip authentication

In addition to large domains, many short motifs mediate functional post-translational modification of proteins as well as protein-protein interactions and protein trafficking functions. We have constructed a motif database comprising 312 unique motifs and a web-based tool for identifying motifs in proteins. Functional motifs predicted by MnM can be ranked by several approaches, and we validated these scores by analyzing thousands of confirmed examples and by confirming prediction of previously unidentified 14-3-3 motifs in EFF-1.

http://schillerlab.bio-toolkit.com/media/pdfs/2010/03/18/2006_NatMethods_Balla.pdf

Sanguthevar Rajasekaran

Papers

Accelerating materials property predictions using machine learning

Computer Algorithms C

Optimal and sublogarithmic time randomized parallel sorting algorithms

One-time credit card number generator and single round-trip authentication

Minimotif Miner: a tool for investigating protein function.