DOE EPSCoR Initiative in Structural and computational Biology/Bioinformatics

The overall goal of the DOE EPSCoR Initiative in Structural and Computational Biology was to enhance the competiveness of Vermont research in these scientific areas. To develop self-sustaining infrastructure, we increased the critical mass of faculty, developed shared resources that made junior researchers more competitive for federal research grants, implemented programs to train graduate and undergraduate students who participated in these research areas and provided seed money for research projects. During the time period funded by this DOE initiative: (1) four new faculty were recruited to the University of Vermont using DOE resources, three in Computational Biology and one in Structural Biology; (2) technical support was provided for the Computational and Structural Biology facilities; (3) twenty-two graduate students were directly funded by fellowships; (4) fifteen undergraduate students were supported during the summer; and (5) twenty-eight pilot projects were supported. Taken together these dollars resulted in a plethora of published papers, many in high profile journals in the fields and directly impacted competitive extramural funding based on structural or computational biology resulting in 49 million dollars awarded in grants (Appendix I), a 600% return on investment by DOE, the State and University

A Field Guide to Genetic Programming

xiv, 233 p. : il. ; 23 cm.Libro ElectrónicoA Field Guide to Genetic Programming (ISBN 978-1-4092-0073-4) is an introduction to genetic programming (GP). GP is a systematic, domain-independent method for getting computers to solve problems automatically starting from a high-level statement of what needs to be done. Using ideas from natural evolution, GP starts from an ooze of random computer programs, and progressively refines them through processes of mutation and sexual recombination, until solutions emerge. All this without the user having to know or specify the form or structure of solutions in advance. GP has generated a plethora of human-competitive results and applications, including novel scientific discoveries and patentable inventions. The authorsIntroduction -- Representation, initialisation and operators in Tree-based GP -- Getting ready to run genetic programming -- Example genetic programming run -- Alternative initialisations and operators in Tree-based GP -- Modular, grammatical and developmental Tree-based GP -- Linear and graph genetic programming -- Probalistic genetic programming -- Multi-objective genetic programming -- Fast and distributed genetic programming -- GP theory and its applications -- Applications -- Troubleshooting GP -- Conclusions.Contents xi 1 Introduction 1.1 Genetic Programming in a Nutshell 1.2 Getting Started 1.3 Prerequisites 1.4 Overview of this Field Guide I Basics 2 Representation, Initialisation and GP 2.1 Representation 2.2 Initialising the Population 2.3 Selection 2.4 Recombination and Mutation Operators in Tree-based 3 Getting Ready to Run Genetic Programming 19 3.1 Step 1: Terminal Set 19 3.2 Step 2: Function Set 20 3.2.1 Closure 21 3.2.2 Sufficiency 23 3.2.3 Evolving Structures other than Programs 23 3.3 Step 3: Fitness Function 24 3.4 Step 4: GP Parameters 26 3.5 Step 5: Termination and solution designation 27 4 Example Genetic Programming Run 4.1 Preparatory Steps 29 4.2 Step-by-Step Sample Run 31 4.2.1 Initialisation 31 4.2.2 Fitness Evaluation Selection, Crossover and Mutation Termination and Solution Designation Advanced Genetic Programming 5 Alternative Initialisations and Operators in 5.1 Constructing the Initial Population 5.1.1 Uniform Initialisation 5.1.2 Initialisation may Affect Bloat 5.1.3 Seeding 5.2 GP Mutation 5.2.1 Is Mutation Necessary? 5.2.2 Mutation Cookbook 5.3 GP Crossover 5.4 Other Techniques 32 5.5 Tree-based GP 39 6 Modular, Grammatical and Developmental Tree-based GP 47 6.1 Evolving Modular and Hierarchical Structures 47 6.1.1 Automatically Defined Functions 48 6.1.2 Program Architecture and Architecture-Altering 50 6.2 Constraining Structures 51 6.2.1 Enforcing Particular Structures 52 6.2.2 Strongly Typed GP 52 6.2.3 Grammar-based Constraints 53 6.2.4 Constraints and Bias 55 6.3 Developmental Genetic Programming 57 6.4 Strongly Typed Autoconstructive GP with PushGP 59 7 Linear and Graph Genetic Programming 61 7.1 Linear Genetic Programming 61 7.1.1 Motivations 61 7.1.2 Linear GP Representations 62 7.1.3 Linear GP Operators 64 7.2 Graph-Based Genetic Programming 65 7.2.1 Parallel Distributed GP (PDGP) 65 7.2.2 PADO 67 7.2.3 Cartesian GP 67 7.2.4 Evolving Parallel Programs using Indirect Encodings 68 8 Probabilistic Genetic Programming 8.1 Estimation of Distribution Algorithms 69 8.2 Pure EDA GP 71 8.3 Mixing Grammars and Probabilities 74 9 Multi-objective Genetic Programming 75 9.1 Combining Multiple Objectives into a Scalar Fitness Function 75 9.2 Keeping the Objectives Separate 76 9.2.1 Multi-objective Bloat and Complexity Control 77 9.2.2 Other Objectives 78 9.2.3 Non-Pareto Criteria 80 9.3 Multiple Objectives via Dynamic and Staged Fitness Functions 80 9.4 Multi-objective Optimisation via Operator Bias 81 10 Fast and Distributed Genetic Programming 83 10.1 Reducing Fitness Evaluations/Increasing their Effectiveness 83 10.2 Reducing Cost of Fitness with Caches 86 10.3 Parallel and Distributed GP are Not Equivalent 88 10.4 Running GP on Parallel Hardware 89 10.4.1 Master–slave GP 89 10.4.2 GP Running on GPUs 90 10.4.3 GP on FPGAs 92 10.4.4 Sub-machine-code GP 93 10.5 Geographically Distributed GP 93 11 GP Theory and its Applications 97 11.1 Mathematical Models 98 11.2 Search Spaces 99 11.3 Bloat 101 11.3.1 Bloat in Theory 101 11.3.2 Bloat Control in Practice 104 III Practical Genetic Programming 12 Applications 12.1 Where GP has Done Well 12.2 Curve Fitting, Data Modelling and Symbolic Regression 12.3 Human Competitive Results – the Humies 12.4 Image and Signal Processing 12.5 Financial Trading, Time Series, and Economic Modelling 12.6 Industrial Process Control 12.7 Medicine, Biology and Bioinformatics 12.8 GP to Create Searchers and Solvers – Hyper-heuristics xiii 12.9 Entertainment and Computer Games 127 12.10The Arts 127 12.11Compression 128 13 Troubleshooting GP 13.1 Is there a Bug in the Code? 13.2 Can you Trust your Results? 13.3 There are No Silver Bullets 13.4 Small Changes can have Big Effects 13.5 Big Changes can have No Effect 13.6 Study your Populations 13.7 Encourage Diversity 13.8 Embrace Approximation 13.9 Control Bloat 13.10 Checkpoint Results 13.11 Report Well 13.12 Convince your Customers 14 Conclusions Tricks of the Trade A Resources A.1 Key Books A.2 Key Journals A.3 Key International Meetings A.4 GP Implementations A.5 On-Line Resources 145 B TinyGP 151 B.1 Overview of TinyGP 151 B.2 Input Data Files for TinyGP 153 B.3 Source Code 154 B.4 Compiling and Running TinyGP 162 Bibliography 167 Inde

Multi-modal multi-objective model-based genetic programming to find multiple diverse high-quality models

Explainable artificial intelligence (XAI) is an important and rapidly expanding research topic. The goal of XAI is to gain trust in a machine learning (ML) model through clear insights into how the model arrives at its predictions. Genetic programming (GP) is often cited as being uniquely well-suited to contribute to XAI because of its capacity to learn (small) symbolic models that have the potential to be interpreted. Nevertheless, like many ML algorithms, GP typically results in a single best model. However, in practice, the best model in terms of training error may well not be the most suitable one as judged by a domain expert for various reasons, including overfitting, multiple different models existing that have similar accuracy and unwanted errors on particular data points due to typical accuracy measures like mean squared error. Hence, to increase chances that domain experts deem a resulting model plausible, it becomes important to be able to explicitly search for multiple, diverse, high-quality models that trade-off different meanings of accuracy. In this paper, we achieve exactly this with a novel multi-modal multi-tree multi-objective GP approach that extends a modern model-based GP algorithm known as GP-GOMEA that is already effective at searching for small expressions

CSM-426: Theoretical Analysis of Generalised Recombination

In this paper we propose, model theoretically and study a general notion of recombination for fixed-length strings where homologous crossover, inversion, gene duplication, gene deletion, diploidy and more are just special cases. The analysis of the model reveals similarities and differences between genetic systems based on these operations. It also reveals that the notion of schema emerges naturally from the model?s equations even for the strangest of recombination operations. The study provides a variety of fixed points for the case where recombination is used alone, which generalise Geiringer?s theorem

A Real-Time Optimization for 2R Manipulators

This work proposes a real-time algorithm to generate a trajectory for a 2 link planar robotic manipulator. The objective is to minimize the space/time ripple and the energy requirements or the time duration in the robot trajectories. The proposed method uses an off line genetic algorithm to calculate every possible trajectory between all cells of the workspace grid. The resultant trajectories are saved in several trees. Then any trajectory requested is constructed in real-time, from these trees. The article presents the results for several experiments

Реконструкция S-системы гибридным алгоритмом клонального отбора и дифференциальной эволюции

Рассмотрено решение задачи реконструкции генной регуляторной сети, представленной в форме S-системы. Предложен гибридный алгоритм, основанный на методе клонального отбора. Проведены экспериментальные исследования влияния параметров гибридного алгоритма на качество решения задачи идентификации S-системы. На тестовых примерах проведен сравнительный анализ предложенного алгоритма с другими аналогичными вычислительными методами.Розглянуто рішення задачі реконструкції генної регуляторної мережі, представленої у формі S-системи. Запропоновано гібридний алгоритм, заснований на методі клонального відбору. Проведено експериментальні дослідження впливу параметрів гібридного алгоритму на якість виконання задачі ідентифікації S-системи. На тестових прикладах проведено порівняльний аналіз запропонованого алгоритму з іншими аналогічними обчислювальними методами.Purpose. The aim of this work is to develop an effective hybrid method for the reconstruction of the gene regulatory networks, which will increase the rate of convergence in solving the problem of the S-system optimizing. Method. We propose a hybrid method for reconstructing the GRN. This method is based on the hybridization technology, which allows combining the best qualities of the algorithm of clonal selection and the algorithm of differential evolution. Results. We propose a hybrid method of reconstruction GRN, allowing to increase the convergence rate and accuracy of the optimization algorithm to solve the problem of identification S-system. The S-system was applied, as a computational model. Parameters and structure were calculated by using the clonal selection algorithm and algorithm differential evolution. The gene expression profiles are used as input data. They were represented by time series of changes in the expression products concentration. The experiments have shown the negative effect of the differential evolution operators application such as selection and crossover. On the other hand, a significant positive effect of mutation operator is shown, which is used in the algorithm of the differential evolution

Open-ended evolution to discover analogue circuits for beyond conventional applications

This is the author's accepted manuscript. The final publication is available at Springer via http://dx.doi.org/10.1007/s10710-012-9163-8. Copyright @ Springer 2012.Analogue circuits synthesised by means of open-ended evolutionary algorithms often have unconventional designs. However, these circuits are typically highly compact, and the general nature of the evolutionary search methodology allows such designs to be used in many applications. Previous work on the evolutionary design of analogue circuits has focused on circuits that lie well within analogue application domain. In contrast, our paper considers the evolution of analogue circuits that are usually synthesised in digital logic. We have developed four computational circuits, two voltage distributor circuits and a time interval metre circuit. The approach, despite its simplicity, succeeds over the design tasks owing to the employment of substructure reuse and incremental evolution. Our findings expand the range of applications that are considered suitable for evolutionary electronics