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Large Language Models (LLMs) have shown impressive abilities in many applications. When a concrete and precise answer is desired, it is important to have a quantitative estimation of the potential error rate. However, this can be…

Computation and Language · Computer Science 2024-12-20 Theodore Zhao , Mu Wei , J. Samuel Preston , Hoifung Poon

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Reinforcement Learning and, recently, Deep Reinforcement Learning are popular methods for solving sequential decision-making problems modeled as Markov Decision Processes. RL modeling of a problem and selecting algorithms and…

Machine Learning · Computer Science 2026-03-10 Reza Refaei Afshar , Joaquin Vanschoren , Uzay Kaymak , Rui Zhang , Yaoxin Wu , Wen Song , Yingqian Zhang

This paper proposes a knowledge-driven AutoML architecture for pipeline and deep feature synthesis. The main goal is to render the AutoML process explainable and to leverage domain knowledge in the synthesis of pipelines and features. The…

Machine Learning · Computer Science 2023-11-30 Corneliu Cofaru , Johan Loeckx

Hyperparameters are a critical factor in reliably training well-performing reinforcement learning (RL) agents. Unfortunately, developing and evaluating automated approaches for tuning such hyperparameters is both costly and time-consuming.…

The continual learning problem involves training models with limited capacity to perform well on a set of an unknown number of sequentially arriving tasks. While meta-learning shows great potential for reducing interference between old and…

Machine Learning · Computer Science 2020-11-13 Gunshi Gupta , Karmesh Yadav , Liam Paull

Effective model and hyperparameter selection remains a major challenge in deep learning, often requiring extensive expertise and computation. While AutoML and large language models (LLMs) promise automation, current LLM-based approaches…

Machine Learning · Computer Science 2025-10-08 Mohamed Bal-Ghaoui , Mohammed Tiouti

We introduce Pareto-NRPA, a new Monte-Carlo algorithm designed for multi-objective optimization problems over discrete search spaces. Extending the Nested Rollout Policy Adaptation (NRPA) algorithm originally formulated for single-objective…

Artificial Intelligence · Computer Science 2025-11-04 Noé Lallouet , Tristan Cazenave , Cyrille Enderli

Machine learning (ML) offers powerful methods for detecting and modeling associations often in data with large feature spaces and complex associations. Many useful tools/packages (e.g. scikit-learn) have been developed to make the various…

Machine Learning · Computer Science 2022-06-27 Ryan J. Urbanowicz , Robert Zhang , Yuhan Cui , Pranshu Suri

We present AutoResearch-RL, a framework in which a reinforcement learning agent conducts open-ended neural architecture and hyperparameter research without human supervision, running perpetually until a termination oracle signals…

Machine Learning · Computer Science 2026-03-20 Nilesh Jain , Rohit Yadav , Sagar Kotian , Claude AI

"Innovization" is a task of learning common relationships among some or all of the Pareto-optimal (PO) solutions in multi- and many-objective optimization problems. Recent studies have shown that a chronological sequence of non-dominated…

Neural and Evolutionary Computing · Computer Science 2026-05-07 Sukrit Mittal , Dhish Kumar Saxena , Kalyanmoy Deb , Erik Goodman

Tiny machine learning (TinyML) promises to revolutionize fields such as healthcare, environmental monitoring, and industrial maintenance by running machine learning models on low-power embedded systems. However, the complex optimizations…

Neural and Evolutionary Computing · Computer Science 2025-02-19 Emil Njor , Colby Banbury , Xenofon Fafoutis

This paper addresses a critical gap in Multi-Objective Multi-Agent Reinforcement Learning (MOMARL) by introducing the first dedicated inner-loop actor-critic framework for continuous state and action spaces: Multi-Objective Multi-Agent…

Machine Learning · Computer Science 2025-11-25 Adam Callaghan , Karl Mason , Patrick Mannion

Designing suitable deep model architectures, for AI-driven on-device apps and features, at par with rapidly evolving mobile hardware and increasingly complex target scenarios is a difficult task. Though Neural Architecture Search…

Machine Learning · Computer Science 2022-03-30 Mayukh Das , Brijraj Singh , Harsh Kanti Chheda , Pawan Sharma , Pradeep NS

Price forecasting for used construction equipment is a challenging task due to spatial and temporal price fluctuations. It is thus of high interest to automate the forecasting process based on current market data. Even though applying…

Machine Learning · Computer Science 2023-09-28 Horst Stühler , Marc-André Zöller , Dennis Klau , Alexandre Beiderwellen-Bedrikow , Christian Tutschku

Comparing different AutoML frameworks is notoriously challenging and often done incorrectly. We introduce an open and extensible benchmark that follows best practices and avoids common mistakes when comparing AutoML frameworks. We conduct a…

Background. Due to the widespread adoption of Artificial Intelligence (AI) and Machine Learning (ML) for building software applications, companies are struggling to recruit employees with a deep understanding of such technologies. In this…

Software Engineering · Computer Science 2025-01-24 Fabio Calefato , Luigi Quaranta , Filippo Lanubile , Marcos Kalinowski

Multi-objective optimization is now a core paradigm in engineering design and scientific discovery. Yet mainstream evolutionary frameworks, including \textit{pymoo}, still depend on imperative coding for problem definition, algorithm…

Software Engineering · Computer Science 2026-03-03 Thiago Santos , Sebastiao Xavier , Luiz Gustavo de Oliveira Carneiro , Gustavo de Souza

Designing resource-efficient Deep Neural Networks (DNNs) is critical to deploy deep learning solutions over edge platforms due to diverse performance, power, and memory budgets. Unfortunately, it is often the case a well-trained ML model…

Machine Learning · Computer Science 2020-06-09 Sheng-Chun Kao , Arun Ramamurthy , Reed Williams , Tushar Krishna

When aligning large language models (LLMs), their performance on various tasks (such as being helpful, harmless, and honest) depends heavily on the composition of their training data. However, selecting a data mixture that achieves strong…

Machine Learning · Computer Science 2025-06-03 Nicholas E. Corrado , Julian Katz-Samuels , Adithya Devraj , Hyokun Yun , Chao Zhang , Yi Xu , Yi Pan , Bing Yin , Trishul Chilimbi