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The Predict-Then-Optimize framework uses machine learning models to predict unknown parameters of an optimization problem from exogenous features before solving. This setting is common to many real-world decision processes, and recently it…

Machine Learning · Computer Science 2024-09-10 James Kotary , Vincenzo Di Vito , Jacob Cristopher , Pascal Van Hentenryck , Ferdinando Fioretto

Molecular discovery is a multi-objective optimization problem that requires identifying a molecule or set of molecules that balance multiple, often competing, properties. Multi-objective molecular design is commonly addressed by combining…

Quantitative Methods · Quantitative Biology 2023-10-17 Jenna C. Fromer , Connor W. Coley

While Deep Learning (DL) experts often have prior knowledge about which hyperparameter settings yield strong performance, only few Hyperparameter Optimization (HPO) algorithms can leverage such prior knowledge and none incorporate priors…

Machine Learning · Computer Science 2025-11-12 Soham Basu , Frank Hutter , Danny Stoll

The customizable nature of deep learning models have allowed them to be successful predictors in various disciplines. These models are often trained with respect to thousands or millions of instances for complicated problems, but the…

Machine Learning · Computer Science 2019-12-24 Drimik Roy Chowdhury , Muhammad Firmansyah Kasim

We propose a first-order method for convex optimization, where instead of being restricted to the gradient from a single parameter, gradients from multiple parameters can be used during each step of gradient descent. This setup is…

Machine Learning · Computer Science 2023-02-08 Yash Chandak , Shiv Shankar , Venkata Gandikota , Philip S. Thomas , Arya Mazumdar

Machine learning applications often require hyperparameter tuning. The hyperparameters usually drive both the efficiency of the model training process and the resulting model quality. For hyperparameter tuning, machine learning algorithms…

Machine Learning · Computer Science 2018-08-06 Patrick Koch , Oleg Golovidov , Steven Gardner , Brett Wujek , Joshua Griffin , Yan Xu

Training deep neural networks is a highly nontrivial task, involving carefully selecting appropriate training algorithms, scheduling step sizes and tuning other hyperparameters. Trying different combinations can be quite labor-intensive and…

Machine Learning · Computer Science 2017-06-13 Kaifeng Lv , Shunhua Jiang , Jian Li

Many decision processes in artificial intelligence and operations research are modeled by parametric optimization problems whose defining parameters are unknown and must be inferred from observable data. The Predict-Then-Optimize (PtO)…

Artificial Intelligence · Computer Science 2024-02-13 My H Dinh , James Kotary , Ferdinando Fioretto

We consider the optimization of an uncertain objective over continuous and multi-dimensional decision spaces in problems in which we are only provided with observational data. We propose a novel algorithmic framework that is tractable,…

Machine Learning · Statistics 2018-10-30 Dimitris Bertsimas , Christopher McCord

Bayesian optimization is a popular tool for data-efficient optimization of expensive objective functions. In real-life applications like engineering design, the designer often wants to take multiple objectives as well as input uncertainty…

Artificial Intelligence · Computer Science 2022-02-28 J. Qing , I. Couckuyt , T. Dhaene

In this note we consider the iteration complexity of solving strongly convex multi objective optimization. We discuss the precise meaning of this problem, and indicate it is loosely defined, but the most natural notion is to find a set of…

Optimization and Control · Mathematics 2020-04-08 E. Bergou , Y. Diouane , V. Kungurtsev

In the recent years, various gradient descent algorithms including the methods of gradient descent, gradient descent with momentum, adaptive gradient (AdaGrad), root-mean-square propagation (RMSProp) and adaptive moment estimation (Adam)…

Machine Learning · Computer Science 2024-09-19 Abel C. H. Chen

Deep learning models are considered to be state-of-the-art in many offline machine learning tasks. However, many of the techniques developed are not suitable for online learning tasks. The problem of using deep learning models with…

Machine Learning · Computer Science 2019-05-28 Guy Uziel

Many real world applications can be framed as multi-objective optimization problems, where we wish to simultaneously optimize for multiple criteria. Bayesian optimization techniques for the multi-objective setting are pertinent when the…

Machine Learning · Computer Science 2019-06-24 Biswajit Paria , Kirthevasan Kandasamy , Barnabás Póczos

It is desirable in many multi-objective machine learning applications, such as multi-task learning with conflicting objectives and multi-objective reinforcement learning, to find a Pareto solution that can match a given preference of a…

Machine Learning · Computer Science 2024-02-19 Xiaoyuan Zhang , Xi Lin , Qingfu Zhang

Given a set of observations generated by an optimization process, the goal of inverse optimization is to determine likely parameters of that process. We cast inverse optimization as a form of deep learning. Our method, called deep inverse…

Machine Learning · Computer Science 2018-12-04 Yingcong Tan , Andrew Delong , Daria Terekhov

The training phase is the most important stage during the machine learning process. In the case of labeled data and supervised learning, machine training consists in minimizing the loss function subject to different constraints. In an…

Machine Learning · Computer Science 2021-12-03 Davide La Torre , Danilo Liuzzi , Marco Repetto , Matteo Rocca

Many real-world optimization problems can be stated in terms of submodular functions. Furthermore, these real-world problems often involve uncertainties which may lead to the violation of given constraints. A lot of evolutionary…

Neural and Evolutionary Computing · Computer Science 2024-11-04 Aneta Neumann , Frank Neumann

Multi-objective preference alignment of large language models (LLMs) is critical for developing AI systems that are more configurable, personalizable, helpful, and safe. However, optimizing model outputs to satisfy diverse objectives with…

Computation and Language · Computer Science 2025-03-04 Raghav Gupta , Ryan Sullivan , Yunxuan Li , Samrat Phatale , Abhinav Rastogi

Real-world optimization problems often do not just involve multiple objectives but also uncertain parameters. In this case, the goal is to find Pareto-optimal solutions that are robust, i.e., reasonably good under all possible realizations…

Optimization and Control · Mathematics 2023-11-06 Fabian Chlumsky-Harttmann , Marie Schmidt , Anita Schöbel
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