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Molecular discovery has brought great benefits to the chemical industry. Various molecule design techniques are developed to identify molecules with desirable properties. Traditional optimization methods, such as genetic algorithms,…
It has been widely recognized that the performance of a multi-agent system is highly affected by its organization. A large scale system may have billions of possible ways of organization, which makes it impractical to find an optimal choice…
When a Genetic Algorithm (GA), or a stochastic algorithm in general, is employed in a statistical problem, the obtained result is affected by both variability due to sampling, that refers to the fact that only a sample is observed, and…
Multigrid methods despite being known to be asymptotically optimal algorithms, depend on the careful selection of their individual components for efficiency. Also, they are mostly restricted to standard cycle types like V-, F-, and…
The properties of lattice-based structures can be enhanced by varying their geometric parameters in a graded manner, and the gradation can be tailored to extremize a particular objective. In this manuscript, we propose a non-gradient-based…
Multi-view datasets offer diverse forms of data that can enhance prediction models by providing complementary information. However, the use of multi-view data leads to an increase in high-dimensional data, which poses significant challenges…
This paper presents an optimization technique for the multi-pass face milling process. Genetic algorithm (GA) is used to obtain the optimum cutting parameters by minimizing the unit production cost for a given amount of material removal.…
Adaptive simulated annealing (ASA) is a global optimization algorithm based on an associated proof that the parameter space can be sampled much more efficiently than by using other previous simulated annealing algorithms. The author's ASA…
This paper presents a new type of genetic algorithm for the set covering problem. It differs from previous evolutionary approaches first because it is an indirect algorithm, i.e. the actual solutions are found by an external decoder…
Clustering is a difficult and widely-studied data mining task, with many varieties of clustering algorithms proposed in the literature. Nearly all algorithms use a similarity measure such as a distance metric (e.g. Euclidean distance) to…
This paper explores the use of genetic algorithms for the design of networks, where the demands on the network fluctuate in time. For varying network constraints, we find the best network using the standard genetic algorithm operators such…
The hyperclimbing hypothesis is a hypothetical explanation for adaptation in genetic algorithms with uniform crossover (UGAs). Hyperclimbing is an intuitive, general-purpose, non-local search heuristic applicable to discrete product spaces…
Symbolic-inference methods have recently found a broad application in materials science. In particular, the Sure-Independence Screening and Sparsifying Operator (SISSO) performs symbolic regression and classification by adopting compressed…
Convolutional Neural Networks (CNNs) have gained a significant attraction in the recent years due to their increasing real-world applications. Their performance is highly dependent to the network structure and the selected optimization…
Clustering of gene expression time series gives insight into which genes may be coregulated, allowing us to discern the activity of pathways in a given microarray experiment. Of particular interest is how a given group of genes varies with…
Annealed Importance Sampling (AIS) is a popular algorithm used to estimates the intractable marginal likelihood of deep generative models. Although AIS is guaranteed to provide unbiased estimate for any set of hyperparameters, the common…
Background: Selecting feature genes to predict phenotypes is one of the typical tasks in analyzing genomics data. Though many general-purpose algorithms were developed for prediction, dealing with highly correlated genes in the prediction…
Finding spanning trees under various constraints is a classic problem with applications in many fields. Recently, a novel notion of "dense" ("sparse") tree, and in particular spanning tree (DST and SST respectively), is introduced as the…
Stochastic approximation (SA) is a powerful class of iterative algorithms for nonlinear root-finding that can be used for minimizing a loss function, $L(\boldsymbol{\theta})$, with respect to a parameter vector $\boldsymbol{\theta}$, when…
A boundary evolution Algorithm (BEA) is proposed by simultaneously taking into account the bottom and the high-level crossover and mutation, ie., the boundary of the hierarchical genetic algorithm. Operators and optimal individuals based on…