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Bayesian Optimization (BO) is an effective approach for global optimization of black-box functions when function evaluations are expensive. Most prior works use Gaussian processes to model the black-box function, however, the use of kernels…

Machine Learning · Computer Science 2023-09-25 Dat Phan-Trong , Hung Tran-The , Sunil Gupta

A general framework of unsupervised learning for combinatorial optimization (CO) is to train a neural network (NN) whose output gives a problem solution by directly optimizing the CO objective. Albeit with some advantages over traditional…

Machine Learning · Computer Science 2023-01-24 Haoyu Wang , Pan Li

We consider the problem of sampling from solutions defined by a set of hard constraints on a combinatorial space. We propose a new sampling technique that, while enforcing a uniform exploration of the search space, leverages the reasoning…

Artificial Intelligence · Computer Science 2012-10-19 Stefano Ermon , Carla P. Gomes , Bart Selman

NLP practitioners often want to take existing trained models and apply them to data from new domains. While fine-tuning or few-shot learning can be used to adapt a base model, there is no single recipe for making these techniques work;…

Computation and Language · Computer Science 2022-03-16 Xi Ye , Greg Durrett

Black-box optimization methods play an important role in many fields of computational simulation. In particular, such methods are often used in the design and modelling of biological systems, including proteins and their complexes with…

Biomolecules · Quantitative Biology 2023-02-08 Dmitry Morozov , Artem Melnikov , Vishal Shete , Michael Perelshtein

Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. However, it remains a challenge for users to apply BBO methods to their problems at hand…

Machine Learning · Computer Science 2021-11-05 Yang Li , Yu Shen , Wentao Zhang , Yuanwei Chen , Huaijun Jiang , Mingchao Liu , Jiawei Jiang , Jinyang Gao , Wentao Wu , Zhi Yang , Ce Zhang , Bin Cui

Automated algorithm performance prediction in numerical blackbox optimization often relies on problem characterizations, such as exploratory landscape analysis features. These features are typically used as inputs to machine learning models…

Artificial Intelligence · Computer Science 2025-06-23 Ana Kostovska , Carola Doerr , Sašo Džeroski , Panče Panov , Tome Eftimov

A mathematical framework for modelling constrained mixed-variable optimization problems is presented in a blackbox optimization context. The framework introduces a new notation and allows solution strategies. The notation framework allows…

Optimization and Control · Mathematics 2022-04-05 Charles Audet , Edward Hallé-Hannan , Sébastien Le Digabel

In recent years, there has been considerable innovation in the world of predictive methodologies. This is evident by the relative domination of machine learning approaches in various classification competitions. While these algorithms have…

Machine Learning · Statistics 2020-10-12 Barinder Thind , Kevin Multani , Jiguo Cao

In most optimization problems, users have a clear understanding of the function to optimize (e.g., minimize the makespan for scheduling problems). However, the constraints may be difficult to state and their modelling often requires…

Artificial Intelligence · Computer Science 2021-11-24 Mohamed-Bachir Belaid , Arnaud Gotlieb , Nadjib Lazaar

The deep neural networks (DNNs) have achieved great success in learning complex patterns with strong predictive power, but they are often thought of as "black box" models without a sufficient level of transparency and interpretability. It…

Machine Learning · Computer Science 2020-11-10 Agus Sudjianto , William Knauth , Rahul Singh , Zebin Yang , Aijun Zhang

Artificial neural networks have proven to be extremely useful models that have allowed for multiple recent breakthroughs in the field of Artificial Intelligence and many others. However, they are typically regarded as black boxes, given how…

Artificial Intelligence · Computer Science 2023-03-07 Manuel de Sousa Ribeiro , João Leite

Large language models (LLMs) have demonstrated exceptional performance not only in natural language processing tasks but also in a great variety of non-linguistic domains. In diverse optimization scenarios, there is also a rising trend of…

Neural and Evolutionary Computing · Computer Science 2024-07-09 Beichen Huang , Xingyu Wu , Yu Zhou , Jibin Wu , Liang Feng , Ran Cheng , Kay Chen Tan

This note provides a description of a procedure that is designed to efficiently optimize expensive black-box functions. It uses the response surface methodology by incorporating radial basis functions as the response model. A simple method…

Mathematical Software · Computer Science 2016-05-04 Paul Knysh , Yannis Korkolis

In machine learning algorithm design, there exists a trade-off between the interpretability and performance of the algorithm. In general, algorithms which are simpler and easier for humans to comprehend tend to show worse performance than…

Machine Learning · Computer Science 2024-07-15 Eric M. Vernon , Naoki Masuyama , Yusuke Nojima

Hypernetworks, or hypernets for short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility,…

Machine Learning · Computer Science 2025-01-03 Vinod Kumar Chauhan , Jiandong Zhou , Ping Lu , Soheila Molaei , David A. Clifton

Optimizing a neural network's performance is a tedious and time taking process, this iterative process does not have any defined solution which can work for all the problems. Optimization can be roughly categorized into - Architecture and…

Machine Learning · Computer Science 2019-12-16 Siddhartha Dhar Choudhury , Shashank Pandey , Kunal Mehrotra

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a…

Machine Learning · Computer Science 2019-12-17 Ricky T. Q. Chen , Yulia Rubanova , Jesse Bettencourt , David Duvenaud

Machine Learning models incorporating multiple layered learning networks have been seen to provide effective models for various classification problems. The resulting optimization problem to solve for the optimal vector minimizing the…

Optimization and Control · Mathematics 2018-07-03 Vyacheslav Kungurtsev , Tomas Pevny

Learning to optimize (L2O) has recently emerged as a promising approach to solving optimization problems by exploiting the strong prediction power of neural networks and offering lower runtime complexity than conventional solvers. While L2O…

Machine Learning · Computer Science 2021-12-21 Zhihui Shao , Jianyi Yang , Cong Shen , Shaolei Ren