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The transformation towards renewable energy and feedstock supply in the chemical industry requires new conceptual process design approaches. Recently, breakthroughs in artificial intelligence offer opportunities to accelerate this…

Machine Learning · Computer Science 2023-08-16 Qinghe Gao , Artur M. Schweidtmann

Unsupervised learning is a discipline of machine learning which aims at discovering patterns in big data sets or classifying the data into several categories without being trained explicitly. We show that unsupervised learning techniques…

Statistical Mechanics · Physics 2016-11-04 Lei Wang

In complex industrial settings, it is common practice to monitor the operation of machines in order to detect undesired states, adjust maintenance schedules, optimize system performance or collect usage statistics of individual machines. In…

Machine Learning · Computer Science 2021-12-07 Andrea Castellani , Sebastian Schmitt , Barbara Hammer

Unsupervised learning has always been appealing to machine learning researchers and practitioners, allowing them to avoid an expensive and complicated process of labeling the data. However, unsupervised learning of complex data is…

Computer Vision and Pattern Recognition · Computer Science 2020-11-10 Evgenii Zheltonozhskii , Chaim Baskin , Alex M. Bronstein , Avi Mendelson

Model reprogramming adapts pretrained models to downstream tasks by modifying only the input and output spaces. Visual reprogramming (VR) is one instance for vision tasks that adds a trainable noise pattern (i.e., a visual prompt) to input…

Machine Learning · Computer Science 2025-06-03 Chengyi Cai , Zesheng Ye , Lei Feng , Jianzhong Qi , Feng Liu

Deep clustering, a method for partitioning complex, high-dimensional data using deep neural networks, presents unique evaluation challenges. Traditional clustering validation measures, designed for low-dimensional spaces, are problematic…

Machine Learning · Statistics 2024-03-25 Zeya Wang , Chenglong Ye

Chemical multisensor devices need calibration algorithms to estimate gas concentrations. Their possible adoption as indicative air quality measurements devices poses new challenges due to the need to operate in continuous monitoring modes…

Artificial Intelligence · Computer Science 2020-02-14 S. De Vito , E. Esposito , M. Salvato , O. Popoola , F. Formisano , R. Jones , G. Di Francia

The rise of AI-powered classification techniques has ushered in a new era for data-driven Fault Detection and Diagnosis in smart building systems. While extensive research has championed supervised FDD approaches, the real-world application…

Systems and Control · Electrical Eng. & Systems 2023-12-19 Farivar Rajabi , J. J. McArthur

Feature selection is an essential problem in computer vision, important for category learning and recognition. Along with the rapid development of a wide variety of visual features and classifiers, there is a growing need for efficient…

Computer Vision and Pattern Recognition · Computer Science 2014-12-01 Marius Leordeanu , Alexandra Radu , Rahul Sukthankar

In this PhD thesis, we propose a novel framework for uncertainty quantification in machine learning, which is based on proper scores. Uncertainty quantification is an important cornerstone for trustworthy and reliable machine learning…

Machine Learning · Computer Science 2025-08-26 Sebastian G. Gruber

Advances in high-throughput technologies have originated an ever-increasing availability of omics datasets. The integration of multiple heterogeneous data sources is currently an issue for biology and bioinformatics. Multiple kernel…

Machine Learning · Statistics 2024-12-04 Mitja Briscik , Gabriele Tazza , Marie-Agnes Dillies , László Vidács , Sébastien Dejean

The practical impact of deep learning on complex supervised learning problems has been significant, so much so that almost every Artificial Intelligence problem, or at least a portion thereof, has been somehow recast as a deep learning…

Machine Learning · Statistics 2018-03-19 Housam Khalifa Bashier Babiker , Randy Goebel

Cross-validation (CV) is a popular method for model-selection. Unfortunately, it is not immediately obvious how to apply CV to unsupervised or exploratory contexts. This thesis discusses some extensions of cross-validation to unsupervised…

Methodology · Statistics 2009-09-17 Patrick O. Perry

Deep learning approaches process data in a layer-by-layer way with intermediate (or latent) features. We aim at designing a general solution to optimize the latent manifolds to improve the performance on classification, segmentation,…

Machine Learning · Computer Science 2025-06-03 Yida Wang , David Joseph Tan , Nassir Navab , Federico Tombari

Unsupervised clustering is one of the most fundamental challenges in machine learning. A popular hypothesis is that data are generated from a union of low-dimensional nonlinear manifolds; thus an approach to clustering is identifying and…

Machine Learning · Computer Science 2017-12-27 Dejiao Zhang , Yifan Sun , Brian Eriksson , Laura Balzano

Cross-validation (CV) is one of the main tools for performance estimation and parameter tuning in machine learning. The general recipe for computing CV estimate is to run a learning algorithm separately for each CV fold, a computationally…

Machine Learning · Statistics 2015-07-02 Pooria Joulani , András György , Csaba Szepesvári

Glass composition screening is essential for advancing new glass materials, yet the inherent complexity of multicomponent systems presents significant challenges. Current supervised learning methods for this task rely heavily on large…

Computational Engineering, Finance, and Science · Computer Science 2026-01-23 Meijing Chen , Bin Liu , Ying Liu , Tianrui Li

Unsupervised learning of high-dimensional data is challenging due to irrelevant or noisy features obscuring underlying structures. It's common that only a few features, called the influential features, meaningfully define the clusters.…

Machine Learning · Computer Science 2026-03-26 Chen Ma , Wanjie Wang , Shuhao Fan

The application of machine learning in the study of phase transitions has achieved remarkable success in both equilibrium and non-equilibrium systems. It is widely recognized that unsupervised learning can retrieve phase transition…

Statistical Mechanics · Physics 2024-12-10 Dian Xu , Shanshan Wang , Weibing Deng , Feng Gao , Wei Li , Jianmin Shen

Computational Fluid Dynamics (CFD) simulations are a very important tool for many industrial applications, such as aerodynamic optimization of engineering designs like cars shapes, airplanes parts etc. The output of such simulations, in…

Computer Vision and Pattern Recognition · Computer Science 2021-03-12 Theodoros Georgiou , Sebastian Schmitt , Thomas Bäck , Nan Pu , Wei Chen , Michael Lew