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Model-based experimental design is attracting increasing attention in chemical process engineering. Typically, an iterative procedure is pursued: an approximate model is devised, prescribed experiments are then performed and the resulting…

Optimization and Control · Mathematics 2021-01-25 Charlie Vanaret , Philipp Seufert , Jan Schwientek , Gleb Karpov , Gleb Ryzhakov , Ivan Oseledets , Norbert Asprion , Michael Bortz

The use of evolutionary methods in design and art is increasing in diversity and popularity. Approaches to using these methods for creative production typically focus either on optimisation or exploration. In this paper we introduce an…

Neural and Evolutionary Computing · Computer Science 2021-02-12 Camilo Cruz Gambardella , Jon McCormack

Differential evolution possesses a multitude of various strategies for generating new trial solutions. Unfortunately, the best strategy is not known in advance. Moreover, this strategy usually depends on the problem to be solved. This paper…

Neural and Evolutionary Computing · Computer Science 2013-07-04 Iztok Fister , Iztok Fister , Janez Brest

The rapid advances in the field of optimization methods in many pure and applied science pose the difficulty of keeping track of the developments as well as selecting an appropriate technique that best suits the problem in-hand. From a…

Neural and Evolutionary Computing · Computer Science 2011-12-30 Loris Serafino

Generative models in molecular design tend to be richly parameterized, data-hungry neural models, as they must create complex structured objects as outputs. Estimating such models from data may be challenging due to the lack of sufficient…

Machine Learning · Computer Science 2021-08-17 Kevin Yang , Wengong Jin , Kyle Swanson , Regina Barzilay , Tommi Jaakkola

Gene selection plays a pivotal role in oncology research for improving outcome prediction accuracy and facilitating cost-effective genomic profiling for cancer patients. This paper introduces two gene selection strategies for deep…

Genomics · Quantitative Biology 2024-03-05 Akhila Krishna , Ravi Kant Gupta , Pranav Jeevan , Amit Sethi

Observational studies often benefit from an abundance of observational units. This can lead to studies that -- while challenged by issues of internal validity -- have inferences derived from sample sizes substantially larger than randomized…

Methodology · Statistics 2020-08-24 Rachael C. Aikens , Dylan Greaves , Michael Baiocchi

Model Selection is a key part of many ecological studies, with Akaike's Information Criterion the most commonly used technique. Typically, a number of candidate models are defined a priori and ranked according to their expected…

Applications · Statistics 2020-04-17 Edward Wheatcroft

Integrative analyses based on statistically relevant associations between genomics and a wealth of intermediary phenotypes (such as imaging) provide vital insights into their clinical relevance in terms of the disease mechanisms. Estimates…

Applications · Statistics 2022-08-16 Snigdha Panigrahi , Shariq Mohammed , Arvind Rao , Veerabhadran Baladandayuthapani

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

Methodology · Statistics 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

Matching mechanisms play a central role in operations management across diverse fields including education, healthcare, and online platforms. However, experimentally comparing a new matching algorithm against a status quo presents some…

Methodology · Statistics 2026-01-30 Chonghuan Wang

The training of molecular models of quantum mechanical properties based on statistical machine learning requires large datasets which exemplify the map from chemical structure to molecular property. Intelligent a priori selection of…

Model-based approaches bear great promise for decision making of agents interacting with the physical world. In the context of spatial environments, different types of problems such as localisation, mapping, navigation or autonomous…

Machine Learning · Statistics 2019-06-21 Atanas Mirchev , Baris Kayalibay , Maximilian Soelch , Patrick van der Smagt , Justin Bayer

As data sets continue to grow in size and complexity, effective and efficient techniques are needed to target important features in the variable space. Many of the variable selection techniques that are commonly used alongside clustering…

Computation · Statistics 2013-03-22 Jeffrey L. Andrews , Paul D. McNicholas

Gene gain-loss-duplication models are commonly based on continuous-time birth-death processes. Employed in a phylogenetic context, such models have been increasingly popular in studies of gene content evolution across multiple genomes.…

Populations and Evolution · Quantitative Biology 2021-07-27 Miklos Csuros

The objective of this paper is to define an effective strategy for building an ensemble of Genetic Programming (GP) models. Ensemble methods are widely used in machine learning due to their features: they average out biases, they reduce the…

Neural and Evolutionary Computing · Computer Science 2019-06-14 Mauro Castelli , Ivo Gonçalves , Luca Manzoni , Leonardo Vanneschi

We propose a method for constructing optimal block designs for experiments on networks. The response model for a given network interference structure extends the linear network effects model to incorporate blocks. The optimality criteria…

Methodology · Statistics 2019-11-26 Vasiliki Koutra , Steven G. Gilmour , Ben M. Parker

This paper proposes an adaptive random experiment design (ARED) algorithm that can be applied to optimize the multiple factors and levels experiments. The algorithm takes real-time model error as the adaptive condition, and outputs a model…

Signal Processing · Electrical Eng. & Systems 2020-09-01 Zhou Qiao , Duan Xiaochang , Tang Wei

Society has come to rely on algorithms like classifiers for important decision making, giving rise to the need for ethical guarantees such as fairness. Fairness is typically defined by asking that some statistic of a classifier be…

Neural and Evolutionary Computing · Computer Science 2020-04-29 William La Cava , Jason H. Moore

Resource constrained job scheduling is a hard combinatorial optimisation problem that originates in the mining industry. Off-the-shelf solvers cannot solve this problem satisfactorily in reasonable timeframes, while other solution methods…

Neural and Evolutionary Computing · Computer Science 2024-07-23 Su Nguyen , Dhananjay Thiruvady , Yuan Sun , Mengjie Zhang
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