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Functions of chemical composition are complex and discrete in nature making it impossible to optimize them with gradient methods. Genetic algorithms, which do not use derivative information, are used to maximize the thermal conductivity of…

Materials Science · Physics 2018-01-30 Alexander Kerr , Kieran Mullen

Large variability between cell lines brings a difficult optimization problem of drug selection for cancer therapy. Standard approaches use prediction of value for this purpose, corresponding e.g. to expected value of their distribution.…

Quantitative Methods · Quantitative Biology 2022-09-15 Jarek Duda

We consider chance constrained optimization where it is sought to optimize a function while complying with constraints, both of which are affected by uncertainties. The high computational cost of realistic simulations strongly limits the…

Optimization and Control · Mathematics 2022-04-18 Julien Pelamatti , Rodolphe Le Riche , Céline Helbert , Christophette Blanchet-Scalliet

Purpose: Machine learning is broadly used for clinical data analysis. Before training a model, a machine learning algorithm must be selected. Also, the values of one or more model parameters termed hyper-parameters must be set. Selecting…

Machine Learning · Computer Science 2018-12-10 Xueqiang Zeng , Gang Luo

We introduce Selective Greedy Equivalence Search (SGES), a restricted version of Greedy Equivalence Search (GES). SGES retains the asymptotic correctness of GES but, unlike GES, has polynomial performance guarantees. In particular, we show…

Machine Learning · Computer Science 2015-06-09 David Maxwell Chickering , Christopher Meek

We present GLASSES: Global optimisation with Look-Ahead through Stochastic Simulation and Expected-loss Search. The majority of global optimisation approaches in use are myopic, in only considering the impact of the next function value; the…

Machine Learning · Statistics 2015-10-22 Javier González , Michael Osborne , Neil D. Lawrence

This paper proposes novel noise-free Bayesian optimization strategies that rely on a random exploration step to enhance the accuracy of Gaussian process surrogate models. The new algorithms retain the ease of implementation of the classical…

Machine Learning · Computer Science 2024-07-18 Hwanwoo Kim , Daniel Sanz-Alonso

In the realm of statistical learning, the increasing volume of accessible data and increasing model complexity necessitate robust methodologies. This paper explores two branches of robust Bayesian methods in response to this trend. The…

Methodology · Statistics 2024-12-02 Masahiro Tanaka

Deep clustering as an important branch of unsupervised representation learning focuses on embedding semantically similar samples into the identical feature space. This core demand inspires the exploration of contrastive learning and…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Haifeng Xia , Hai Huang , Zhengming Ding

Minimization of the number of cluster heads in a wireless sensor network is a very important problem to reduce channel contention and to improve the efficiency of the algorithm when executed at the level of cluster-heads. In this paper, we…

Networking and Internet Architecture · Computer Science 2011-04-05 Ehsan Heidari , Ali Movaghar

Gaussian processes are a powerful framework for quantifying uncertainty and for sequential decision-making but are limited by the requirement of solving linear systems. In general, this has a cubic cost in dataset size and is sensitive to…

Genetic algorithms are a powerful tool in optimization for single and multi-modal functions. This paper provides an overview of their fundamentals with some analytical examples. In addition, we explore how they can be used as a parameter…

We address the issue of control of a stochastic two-component granulation process in pharmaceutical applications through using Stochastic Model Predictive Control (SMPC) and model reduction to obtain the desired particle distribution. We…

Optimization and Control · Mathematics 2017-04-18 Negar Hashemian , Antonios Armaou

The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative methods have shown promise but face the issue of sample…

Biomolecules · Quantitative Biology 2024-12-31 Hyeonah Kim , Minsu Kim , Sanghyeok Choi , Jinkyoo Park

We introduce a novel approach to improve unsupervised hashing. Specifically, we propose a very efficient embedding method: Gaussian Mixture Model embedding (Gemb). The proposed method, using Gaussian Mixture Model, embeds feature vector…

Computer Vision and Pattern Recognition · Computer Science 2017-07-05 Tuan Hoang , Thanh-Toan Do , Dang-Khoa Le Tan , Ngai-Man Cheung

When solving real-world problems, practitioners often hesitate to implement solutions obtained from mathematical models, especially for important decisions. This hesitation stems from practitioners' lack of trust in optimization models and…

Optimization and Control · Mathematics 2025-07-01 Susumu Hashimoto , Takeaki Uno

The Progressive Edge Growth (PEG) algorithm is one of the most widely-used method for constructing finite length LDPC codes. In this paper we consider the PEG algorithm together with a scheduling distribution, which specifies the order in…

Information Theory · Computer Science 2011-03-15 Lam Pham Sy , Valentin Savin , David Declercq , Nghia Pham

The main objective of this paper is to solve the optimization problem that is associated with the classification of DNA samples in PCR plates for Sanger sequencing. To achieve this goal, we design an integer linear programming model. Given…

Data Structures and Algorithms · Computer Science 2024-01-23 Luisa Carpente , Ana Cerdeira-Pena , Silvia Lorenzo-Freire , Ángeles S. Places

We develop a simulation-based method for the online updating of Gaussian process regression and classification models. Our method exploits sequential Monte Carlo to produce a fast sequential design algorithm for these models relative to the…

Computation · Statistics 2010-07-07 Robert B. Gramacy , Nicholas G. Polson

A framework previously introduced in [3] for solving a sequence of stochastic optimization problems with bounded changes in the minimizers is extended and applied to machine learning problems such as regression and classification. The…

Machine Learning · Computer Science 2019-04-08 Craig Wilson , Yuheng Bu , Venugopal Veeravalli
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