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Metal-organic frameworks (MOFs) are an incredibly diverse group of highly porous hybrid materials, which are interesting for a wide range of possible applications. For a reliable description of many of their properties accurate…

Materials Science · Physics 2024-11-26 Sandro Wieser , Egbert Zojer

Deep learning methods for material property prediction have been widely explored to advance materials discovery. However, the prevailing pre-train then fine-tune paradigm often fails to address the inherent diversity and disparity of…

The aim of this study is to find the optimum of a linear fractional function over the efficient set of a multi-objective linear fractional integer program without generating all efficient solutions. By its nature, it is a global…

Optimization and Control · Mathematics 2019-07-04 Fatma Zohra Ouail , Mohamed El-Amine Chergui

Topology Optimization (TO), which maximizes structural robustness under material weight constraints, is becoming an essential step for the automatic design of mechanical parts. However, existing TO algorithms use the Finite Element Analysis…

Robotics · Computer Science 2022-04-14 Zherong Pan , Xifeng Gao , Kui Wu

Machine learning algorithms have made remarkable achievements in the field of artificial intelligence. However, most machine learning algorithms are sensitive to the hyper-parameters. Manually optimizing the hyper-parameters is a common…

Machine Learning · Computer Science 2020-03-05 Bozhou Chen , Kaixin Zhang , Longshen Ou , Chenmin Ba , Hongzhi Wang , Chunnan Wang

Hyperparameter optimization (HPO) is crucial for fine-tuning machine learning models but can be computationally expensive. To reduce costs, Multi-fidelity HPO (MF-HPO) leverages intermediate accuracy levels in the learning process and…

Machine Learning · Computer Science 2023-09-27 Romain Egele , Isabelle Guyon , Yixuan Sun , Prasanna Balaprakash

Despite all the benefits of automated hyperparameter optimization (HPO), most modern HPO algorithms are black-boxes themselves. This makes it difficult to understand the decision process which leads to the selected configuration, reduces…

Machine Learning · Computer Science 2023-02-14 Julia Moosbauer , Giuseppe Casalicchio , Marius Lindauer , Bernd Bischl

This work presents a multi-layered methodology for efficiently accelerating multimodal foundation models (MFMs). It combines hardware and software co-design of transformer blocks with an optimization pipeline that reduces computational and…

Recent years have witnessed a tremendous improvement of deep reinforcement learning. However, a challenging problem is that an agent may suffer from inefficient exploration, particularly for on-policy methods. Previous exploration methods…

Machine Learning · Computer Science 2020-02-17 Ling Pan , Qingpeng Cai , Longbo Huang

Factor models have been widely used in economics and finance. However, the heavy-tailed nature of macroeconomic and financial data is often neglected in the existing literature. To address this issue and achieve robustness, we propose an…

Methodology · Statistics 2023-03-30 Yong He , Lingxiao Li , Dong Liu , Wen-Xin Zhou

Hyperparameter optimization (HPO) is a crucial step in achieving strong predictive performance. Yet, the impact of individual hyperparameters on model generalization is highly context-dependent, prohibiting a one-size-fits-all solution and…

Machine Learning · Computer Science 2025-11-11 Marcel Wever , Maximilian Muschalik , Fabian Fumagalli , Marius Lindauer

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

Accelerator Physics · Physics 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

Principal component analysis (PCA) is a classical and widely used method for dimensionality reduction, with applications in data compression, computer vision, pattern recognition, and signal processing. However, PCA is designed for…

Methodology · Statistics 2025-10-01 Wenhui Wu , Changchun Shang , Jianhua Zhao , Xuan Ma , Yue Wang

Despite the growing interest in designing truly interactive hyperparameter optimization (HPO) methods, to date, only a few allow to include human feedback. Existing interactive Bayesian optimization (BO) methods incorporate human beliefs by…

Machine Learning · Computer Science 2025-05-26 Jonas Seng , Fabrizio Ventola , Zhongjie Yu , Kristian Kersting

Factorial designs are frequently used in different fields of science, e.g. psychological, medical or biometric studies. Standard approaches, as the ANOVA $F$-test, make different assumptions on the distribution of the error terms, the…

Methodology · Statistics 2018-02-21 Maria Umlauft

Many real-world problems, such as airfoil design, involve optimizing a black-box expensive objective function over complex structured input space (e.g., discrete space or non-Euclidean space). By mapping the complex structured input space…

Computational Engineering, Finance, and Science · Computer Science 2025-01-24 Zhendong Guo , Haitao Liu , Yew-Soon Ong , Xinghua Qu , Yuzhe Zhang , Jianmin Zheng

In the field of parametric partial differential equations, shape optimization represents a challenging problem due to the required computational resources. In this contribution, a data-driven framework involving multiple reduction…

Numerical Analysis · Mathematics 2021-02-23 Nicola Demo , Marco Tezzele , Andrea Mola , Gianluigi Rozza

Numerous estimators have been proposed for factor analysis, and their statistical properties have been extensively studied. In the early 2000s, a novel matrix factorization-based approach, known as Matrix Decomposition Factor Analysis…

Statistics Theory · Mathematics 2025-06-23 Yoshikazu Terada

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this…

Machine Learning · Computer Science 2020-03-13 Tong Yu , Hong Zhu

Atrial fibrillation (AF) is a prevalent cardiac arrhythmia often treated with catheter ablation procedures, but procedural outcomes are highly variable. Evaluating and improving ablation efficacy is challenging due to the complex…

Computer Vision and Pattern Recognition · Computer Science 2025-08-12 Yunsung Chung , Chanho Lim , Ghassan Bidaoui , Christian Massad , Nassir Marrouche , Jihun Hamm