Probability Distributions.- Linear Models for Regression.- Linear Models for Classification.- Neural Networks.- Kernel Methods.- Sparse Kernel Machines.- Graphical Models.- Mixture Models and EM.- Approximate Inference.- Sampling Methods.- Continuous Latent Variables.- Sequential Data.- Combining Models.

Pattern Recognition and Machine Learning

Protein structure prediction can be used to determine the three-dimensional shape of a protein from its amino acid sequence1. This problem is of fundamental importance as the structure of a protein largely determines its function2; however, protein structures can be difficult to determine experimentally. Considerable progress has recently been made by leveraging genetic information. It is possible to infer which amino acid residues are in contact by analysing covariation in homologous sequences, which aids in the prediction of protein structures3. Here we show that we can train a neural network to make accurate predictions of the distances between pairs of residues, which convey more information about the structure than contact predictions. Using this information, we construct a potential of mean force4 that can accurately describe the shape of a protein. We find that the resulting potential can be optimized by a simple gradient descent algorithm to generate structures without complex sampling procedures. The resulting system, named AlphaFold, achieves high accuracy, even for sequences with fewer homologous sequences. In the recent Critical Assessment of Protein Structure Prediction5 (CASP13)-a blind assessment of the state of the field-AlphaFold created high-accuracy structures (with template modelling (TM) scores6 of 0.7 or higher) for 24 out of 43 free modelling domains, whereas the next best method, which used sampling and contact information, achieved such accuracy for only 14 out of 43 domains. AlphaFold represents a considerable advance in protein-structure prediction. We expect this increased accuracy to enable insights into the function and malfunction of proteins, especially in cases for which no structures for homologous proteins have been experimentally determined7.

/pdf/improved-protein-structure-prediction-using-potentials-from-39yatxdc6a.pdf

Improved protein structure prediction using potentials from deep learning

Hidden markov models in computational biology: applications to protein modeling

Matrix Differential Calculus with Applications in Statistics and Econometrics

A review on time series data mining

This paper introduces a novel algorithm for biological sequence compression that makes use of both statistical properties and repetition within sequences. A panel of experts is maintained to estimate the probability distribution of the next symbol in the sequence to be encoded. Expert probabilities are combined to obtain the final distribution. The resulting information sequence provides insight for further study of the biological sequence. Each symbol is then encoded by arithmetic coding. Experiments show that our algorithm outperforms existing compressors on typical DNA and protein sequence datasets while maintaining a practical running time

/pdf/a-simple-statistical-algorithm-for-biological-sequence-1zmdqh3ufh.pdf

A Simple Statistical Algorithm for Biological Sequence Compression

A bit-string longest-common-subsequence algorithm

From the Publisher:
Numerous exercises in Pascal encourage the student to write and test definitions in this introduction to denotational semantics and its applications to programming languages.

A Practical Introduction to Denotational Semantics

Minimum message length encoding is a technique of inductive inference with theoretical and practical advantages. It allows the posterior odds-ratio of two theories or hypotheses to be calculated. Here it is applied to problems of aligning or relating two strings, in particular two biological macromolecules. We compare the r-theory, that the strings are related, with the null-theory, that they are not related. If they are related, the probabilities of the various alignments can be calculated. This is done for one-, three-, and five-state models of relation or mutation. These correspond to linear and piecewise linear cost functions on runs of insertions and deletions. We describe how to estimate parameters of a model. The validity of a model is itself an hypothesis and can be objectively tested. This is done on real DNA strings and on artificial data. The tests on artificial data indicate limits on what can be inferred in various situations. The tests on real DNA support either the three- or five-state models over the one-state model. Finally, a fast, approximate minimum message length string comparison algorithm is described.

Finite-state models in the alignment of macromolecules.

https://www.csse.monash.edu/~lloyd/tildeStrings/Compress/2000CC/2000CC.pdf

Lloyd Allison

Papers

A Simple Statistical Algorithm for Biological Sequence Compression

A bit-string longest-common-subsequence algorithm

A Practical Introduction to Denotational Semantics

Finite-state models in the alignment of macromolecules.

Sequence complexity for biological sequence analysis.