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Machine Learning (ML) for Mineral Prospectivity Mapping (MPM) remains a challenging problem as it requires the analysis of associations between large-scale multi-modal geospatial data and few historical mineral commodity observations…

Machine Learning · Computer Science 2024-06-19 Angel Daruna , Vasily Zadorozhnyy , Georgina Lukoczki , Han-Pang Chiu

Federated Learning (FL) decouples model training from the need for direct access to the data and allows organizations to collaborate with industry partners to reach a satisfying level of performance without sharing vulnerable business…

Machine Learning · Computer Science 2021-10-22 Stephanie Holly , Thomas Hiessl , Safoura Rezapour Lakani , Daniel Schall , Clemens Heitzinger , Jana Kemnitz

Machine learning algorithms such as random forests or xgboost are gaining more importance and are increasingly incorporated into production processes in order to enable comprehensive digitization and, if possible, automation of processes.…

Machine Learning · Computer Science 2021-07-20 Eva Bartz , Martin Zaefferer , Olaf Mersmann , Thomas Bartz-Beielstein

Determining the optimal model for a given task often requires training multiple models from scratch, which becomes impractical as dataset and model sizes grow. A more efficient alternative is to expand smaller pre-trained models, but this…

Machine Learning · Computer Science 2025-06-17 Pranshu Malviya , Jerry Huang , Aristide Baratin , Quentin Fournier , Sarath Chandar

Large Language Models (LLMs) have shown great potential in automatically generating and optimizing (meta)heuristics, making them valuable tools in heuristic optimization tasks. However, LLMs are generally inefficient when it comes to…

Neural and Evolutionary Computing · Computer Science 2025-05-23 Niki van Stein , Diederick Vermetten , Thomas Bäck

Multi-objective reinforcement learning (MORL) is essential for addressing the intricacies of real-world RL problems, which often require trade-offs between multiple utility functions. However, MORL is challenging due to unstable learning…

Machine Learning · Computer Science 2024-07-25 Mikhail Terekhov , Caglar Gulcehre

Modeling non-empirical and highly flexible interatomic potential energy surfaces (PES) using machine learning (ML) approaches is becoming popular in molecular and materials research. Training an ML-PES is typically performed in two stages:…

Materials Science · Physics 2021-01-05 Suresh Kondati Natarajan , Miguel A. Caro

At the forefront of state-of-the-art human alignment methods are preference optimization methods (*PO). Prior research has often concentrated on identifying the best-performing method, typically involving a grid search over hyperparameters,…

Computation and Language · Computer Science 2025-04-30 Kian Ahrabian , Xihui Lin , Barun Patra , Vishrav Chaudhary , Alon Benhaim , Jay Pujara , Xia Song

We survey the model merging literature through the lens of loss landscape geometry to connect observations from empirical studies on model merging and loss landscape analysis to phenomena that govern neural network training and the…

The geometric structure of an optimization landscape is argued to be fundamentally important to support the success of deep neural network learning. A direct computation of the landscape beyond two layers is hard. Therefore, to capture the…

Machine Learning · Computer Science 2021-10-04 Wenxuan Zou , Haiping Huang

The surge of data available on the Internet has driven the adoption of a wide range of computational methods for analyzing and extracting insights from large-scale data. Among these, Machine Learning (ML) has become a central paradigm,…

Computation and Language · Computer Science 2026-05-12 Adaku Uchendu , Thai Le

While aggregate leaderboard scores drive AI development, they contain substantial measurement noise whose sources and magnitudes remain unquantified, making it unclear when rankings reflect genuine capability differences versus evaluation…

Artificial Intelligence · Computer Science 2026-05-26 Michael Hardy , Anka Reuel , Lijin Zhang , Jodi M. Casabianca , Sang Truong , Yash Dave , Hansol Lee , Benjamin Domingue , Sanmi Koyejo

Next location prediction is a discipline that involves predicting a users next location. Its applications include resource allocation, quality of service, energy efficiency, and traffic management. This paper proposes an energy-efficient,…

Machine Learning · Computer Science 2024-02-05 Calvin Jary , Nafiseh Kahani

Learning and Artificial Intelligence (ML/AI) techniques have become increasingly prevalent in high performance computing (HPC). However, these methods depend on vast volumes of floating point data for training and validation which need…

Machine Learning · Computer Science 2024-03-26 Robert Underwood , Jon C. Calhoun , Sheng Di , Franck Cappello

The training of neural networks is a complex, high-dimensional, non-convex and noisy optimization problem whose theoretical understanding is interesting both from an applicative perspective and for fundamental reasons. A core challenge is…

Statistical Mechanics · Physics 2023-04-19 Theo Jules , Gal Brener , Tal Kachman , Noam Levi , Yohai Bar-Sinai

Deep learning involves navigating a high-dimensional loss landscape over the neural network parameter space. Over the course of training, complex computational structures form and re-form inside the neural network, leading to shifts in…

Machine Learning · Computer Science 2025-08-04 Jesse Hoogland , George Wang , Matthew Farrugia-Roberts , Liam Carroll , Susan Wei , Daniel Murfet

Unlearning in large language models (LLMs) aims to remove specified data, but its efficacy is typically assessed with task-level metrics like accuracy and perplexity. We show that these metrics can be misleading, as models can appear to…

Computation and Language · Computer Science 2026-05-19 Xiaoyu Xu , Xiang Yue , Yang Liu , Qingqing Ye , Huadi Zheng , Peizhao Hu , Minxin Du , Haibo Hu

Finding optimal hyperparameters for the machine learning algorithm can often significantly improve its performance. But how to choose them in a time-efficient way? In this paper we present the protocol of generating benchmark data…

Machine Learning · Computer Science 2020-09-01 Wojciech Kretowicz , Przemysław Biecek

Hyperparameters are configuration variables controlling the behavior of machine learning algorithms. They are ubiquitous in machine learning and artificial intelligence and the choice of their values determines the effectiveness of systems…

Because of its sample efficiency, Bayesian optimization (BO) has become a popular approach dealing with expensive black-box optimization problems, such as hyperparameter optimization (HPO). Recent empirical experiments showed that the loss…

Machine Learning · Computer Science 2021-11-11 Difan Deng , Marius Lindauer