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A common challenge in real-time operations is deciding whether to re-solve an optimization problem or continue using an existing solution. While modern data platforms may collect information at high frequencies, many real-time operations…
Mixed integer linear programming (MILP) solvers expose hundreds of parameters that have an outsized impact on performance but are difficult to configure for all but expert users. Existing machine learning (ML) approaches require training on…
In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The…
Recently, Machine Learning (ML) has become a widely accepted method for significant progress that is rapidly evolving. Since it employs computational methods to teach machines and produce acceptable answers. The significance of the Machine…
Automated machine learning (AutoML) aims to find optimal machine learning solutions automatically given a machine learning problem. It could release the burden of data scientists from the multifarious manual tuning process and enable the…
Artificial intelligence is transforming molecular and materials science, but its growing computational and data demands raise critical sustainability challenges. In this Perspective, we examine resource considerations across the AI-driven…
Automated machine learning (AutoML) is a research area focusing on using optimisation techniques to design machine learning (ML) algorithms, alleviating the need for a human to perform manual algorithm design. Real-time AutoML enables the…
AI tasks encompass a wide range of domains and fields. While numerous AI models have been designed for specific tasks and applications, they often require considerable human efforts in finding the right model architecture, optimization…
Over the last decade, the long-running endeavour to automate high-level processes in machine learning (ML) has risen to mainstream prominence, stimulated by advances in optimisation techniques and their impact on selecting ML…
In this paper, we propose a machine learning (ML) method to learn how to solve a generic constrained continuous optimization problem. To the best of our knowledge, the generic methods that learn to optimize, focus on unconstrained…
Mixed Integer Linear Programs (MILP) are well known to be NP-hard (Non-deterministic Polynomial-time hard) problems in general. Even though pure optimization-based methods, such as constraint generation, are guaranteed to provide an optimal…
While machine learning (ML) methods have received a lot of attention in recent years, these methods are primarily for prediction. Empirical researchers conducting policy evaluations are, on the other hand, pre-occupied with causal problems,…
It has been 100 years since statistical process control (SPC) or statistical process monitoring (SPM) was first introduced for production processes and later applied to service, healthcare, and other industries. The techniques applied to…
As cyber attacks continue to increase in frequency and sophistication, detecting malware has become a critical task for maintaining the security of computer systems. Traditional signature-based methods of malware detection have limitations…
This paper aims to predict optimal solutions for combinatorial optimization problems (COPs) via machine learning (ML). To find high-quality solutions efficiently, existing work uses a ML prediction of the optimal solution to guide heuristic…
Machine learning (ML) is increasingly being used in image retrieval systems for medical decision making. One application of ML is to retrieve visually similar medical images from past patients (e.g. tissue from biopsies) to reference when…
[Context] Machine learning (ML)-enabled systems are present in our society, driving significant digital transformations. The dynamic nature of ML development, characterized by experimental cycles and rapid changes in data, poses challenges…
The emergence of machine learning (ML) has led to a transformative shift in software techniques and guidelines for building software applications that support data analysis process activities such as data ingestion, modeling, and…
With the growing complexity of computational and experimental facilities, many scientific researchers are turning to machine learning (ML) techniques to analyze large scale ensemble data. With complexities such as multi-component workflows,…
As a key technique for enabling artificial intelligence, machine learning (ML) is capable of solving complex problems without explicit programming. Motivated by its successful applications to many practical tasks like image recognition,…