Genetic programming (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 high-fitness 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. This unique overview of this exciting technique is written by three of the most active scientists in GP. See www.gp-field-guide.org.uk for more information on the book.

/pdf/a-field-guide-to-genetic-programming-3wkkmsw81n.pdf

A Field Guide to Genetic Programming

International Technology Roadmap for Semiconductors 2003の要求清浄度について － シリコンウエハ表面と雰囲気環境に要求される清浄度, 分析方法の現状について －

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Design Of Analog Cmos Integrated Circuits

Molecular docking methodology explores the behavior of small molecules in the binding site of a target protein. As more protein structures are determined experimentally using X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy, molecular docking is increasingly used as a tool in drug discovery. Docking against homology-modeled targets also becomes possible for proteins whose structures are not known. With the docking strategies, the druggability of the compounds and their specificity against a particular target can be calculated for further lead optimization processes. Molecular docking programs perform a search algorithm in which the conformation of the ligand is evaluated recursively until the convergence to the minimum energy is reached. Finally, an affinity scoring function, ΔG [U total in kcal/mol], is employed to rank the candidate poses as the sum of the electrostatic and van der Waals energies. The driving forces for these specific interactions in biological systems aim toward complementarities between the shape and electrostatics of the binding site surfaces and the ligand or substrate.

Software for molecular docking: a review

IEEE transactions on computer-aided design of integrated circuits and systems : a publication of the IEEE Circuits and Systems Society

Protein-ligand docking can be formulated as a parameter optimization problem associated with an accurate scoring function, which aims to identify the translation, orientation, and conformation of a docked ligand with the lowest energy. The parameter optimization problem for highly flexible ligands with many rotatable bonds is more difficult than that for less flexible ligands using genetic algorithm (GA)-based approaches, due to the large numbers of parameters and high correlations among these parameters. This investigation presents a novel optimization algorithm SODOCK based on particle swarm optimization (PSO) for solving flexible protein-ligand docking problems. To improve efficiency and robustness of PSO, an efficient local search strategy is incorporated into SODOCK. The implementation of SODOCK adopts the environment and energy function of AutoDock 3.05. Computer simulation results reveal that SODOCK is superior to the Lamarckian genetic algorithm (LGA) of AutoDock, in terms of convergence performance, robustness, and obtained energy, especially for highly flexible ligands. The results also reveal that PSO is more suitable than the conventional GA in dealing with flexible docking problems with high correlations among parameters. This investigation also compared SODOCK with four state-of-the-art docking methods, namely GOLD 1.2, DOCK 4.0, FlexX 1.8, and LGA of AutoDock 3.05. SODOCK obtained the smallest RMSD in 19 of 37 cases. The average 2.29 A of the 37 RMSD values of SODOCK was better than those of other docking programs, which were all above 3.0 A.

https://ir.nctu.edu.tw:443/bitstream/11536/11214/1/000243238700017.pdf

SODOCK: swarm optimization for highly flexible protein-ligand docking.

An evolutionary approach to designing accurate classifiers with a compact fuzzy-rule base using a scatter partition of feature space is proposed, in which all the elements of the fuzzy classifier design problem have been moved in parameters of a complex optimization problem. An intelligent genetic algorithm (IGA) is used to effectively solve the design problem of fuzzy classifiers with many tuning parameters. The merits of the proposed method are threefold: 1) the proposed method has high search ability to efficiently find fuzzy rule-based systems with high fitness values, 2) obtained fuzzy rules have high interpretability, and 3) obtained compact classifiers have high classification accuracy on unseen test patterns. The sensitivity of control parameters of the proposed method is empirically analyzed to show the robustness of the IGA-based method. The performance comparison and statistical analysis of experimental results using ten-fold cross validation show that the IGA-based method without heuristics is efficient in designing accurate and compact fuzzy classifiers using 11 well-known data sets with numerical attribute values.

/pdf/design-of-accurate-classifiers-with-a-compact-fuzzy-rule-1b14yhspvw.pdf

Design of accurate classifiers with a compact fuzzy-rule base using an evolutionary scatter partition of feature space

The VLSI fabrication has entered the deep sub-micron era and communication between different components has significantly increased. Interconnect delay has become the dominant factor in total circuit delay. As a result, it is necessary to start interconnect planning as early as possible. In this paper, we propose a method to combine interconnect planning with floorplanning. Our approach is based on the Wong-Liu floorplanning algorithm. When the positions, orientations, and shapes of the cells are decided, the pin positions and routing of the interconnects are decided as well. We use a multi-stage simulated annealing approach in which different interconnect planning methods are used in different ranges of temperatures to reduce running time. A temperature adjustment scheme is designed to give smooth transitions between different stages of simulated annealing. Experimental results show that our approach performs well.

Integrated floorplanning and interconnect planning

An accurate classifier with linguistic interpretability using a small number of relevant genes is beneficial to microarray data analysis and development of inexpensive diagnostic tests. Several frequently used techniques for designing classifiers of microarray data, such as support vector machine, neural networks, k-nearest neighbor, and logistic regression model, suffer from low interpretabilities. This paper proposes an interpretable gene expression classifier (named iGEC) with an accurate and compact fuzzy rule base for microarray data analysis. The design of iGEC has three objectives to be simultaneously optimized: maximal classification accuracy, minimal number of rules, and minimal number of used genes. An "intelligent" genetic algorithm IGA is used to efficiently solve the design problem with a large number of tuning parameters. The performance of iGEC is evaluated using eight commonly-used data sets. It is shown that iGEC has an accurate, concise, and interpretable rule base (1.1 rules per class) on average in terms of test classification accuracy (87.9%), rule number (3.9), and used gene number (5.0). Moreover, iGEC not only has better performance than the existing fuzzy rule-based classifier in terms of the above-mentioned objectives, but also is more accurate than some existing non-rule-based classifiers.

https://ir.nctu.edu.tw:443/bitstream/11536/11802/1/000240571300001.pdf

Interpretable gene expression classifier with an accurate and compact fuzzy rule base for microarray data analysis.

Amphiphilic pseudo-amino acid composition (Am-Pse-AAC) with extra sequence-order information is a useful feature for representing enzymes. This study first utilizes the k-nearest neighbor (k-NN) rule to analyze the distribution of enzymes in the Am-Pse-AAC feature space. This analysis indicates the distributions of multiple classes of enzymes are highly overlapped. To cope with the overlap problem, this study proposes an efficient non-parametric classifier for predicting enzyme subfamily class using an adaptive fuzzy r-nearest neighbor (AFK-NN) method, where k and a fuzzy strength parameter m are adaptively specified. The fuzzy membership values of a query sample Q are dynamically determined according to the position of Q and its weighted distances to the k nearest neighbors. Using the same enzymes of the oxidoreductases family for comparisons, the prediction accuracy of AFK-NN is 76.6%, which is better than those of Support Vector Machine (73.6%), the decision tree method C5.0 (75.4%) and the existing covariant-discriminate algorithm (70.6%) using a jackknife test. To evaluate the generalization ability of AFK-NN, the datasets for all six families of entirely sequenced enzymes are established from the newly updated SWISS-PROT and ENZYME database. The accuracy of AFK-NN on the new large-scale dataset of oxidoreductases family is 83.3%, and the mean accuracy of the six families is 92.1%.

https://ir.nctu.edu.tw:443/bitstream/11536/10347/1/000250184500011.pdf

Hung-Ming Chen

Papers

SODOCK: swarm optimization for highly flexible protein-ligand docking.

Design of accurate classifiers with a compact fuzzy-rule base using an evolutionary scatter partition of feature space

Integrated floorplanning and interconnect planning

Interpretable gene expression classifier with an accurate and compact fuzzy rule base for microarray data analysis.

Accurate prediction of enzyme subfamily class using an adaptive fuzzy k-nearest neighbor method