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arXiv 2025年

作者： Schmidinger, Jonas Vogel, Sebastian Barkov, Viacheslav Pham, Anh-Duy Gebbers, Robin Tavakoli, Hamed Correa, Jose Tavares, Tiago R. Filippi, Patrick Jones, Edward J. Lukas, Vojtech Boenecke, Eric Ruehlmann, Joerg Schroeter, Ingmar Kramer, Eckart Paetzold, Stefan Kodaira, Masakazu Wadoux, Alexandre M.J.-C. Bragazza, Luca Metzger, Konrad Huang, Jingyi Valente, Domingos S.M. Safanelli, Jose L. Bottega, Eduardo L. Dalmolin, Ricardo S.D. Farkas, Csilla Steiger, Alexander Horst, Taciara Z. Ramirez-Lopez, Leonardo Scholten, Thomas Stumpf, Felix Rosso, Pablo Costa, Marcelo M. Zandonadi, Rodrigo S. Wetterlind, Johanna Atzmueller, Martin Osnabrück University Joint Lab Artificial Intelligence and Data Science Osnabrück Germany Department of Agromechatronics Potsdam Germany Piracicaba Brazil The University of Sydney Sydney Institute of Agriculture Sydney Australia Mendel University in Brno Department of Agrosystems and Bioclimatology Brno Czech Republic Leibniz Institute of Vegetable and Ornamental Crops Next Generation Horticultural Systems Grossbeeren Germany Eberswalde University for Sustainable Development Landscape Management and Nature Conservation Eberswalde Germany Soil Science and Soil Ecology Bonn Germany Tokyo University of Agriculture and Technology Institute of Agriculture Tokyo Japan LISAH Univ. Montpellier AgroParisTech INRAE IRD L'Institut Agro Montpellier France Agroscope Field-Crop Systems and Plant Nutrition Nyon Switzerland University of Wisconsin-Madison Department of Soil Science Madison United States Federal University of Viçosa Department of Agricultural Engineering Viçosa Brazil Woodwell Climate Research Center Falmouth United States Academic Coordination Santa Maria Brazil Soil Department Santa Maria Brazil Division of Environment and Natural Resources Aas Norway University of Rostock Chair of Geodesy and Geoinformatics Rostock Germany Federal Technological University of Paraná Dois Vizinhos Brazil BÜCHI Labortechnik AG Data Science Department Flawil Switzerland Imperial College London Imperial College Business School London United Kingdom University of Tübingen Department of Geosciences Tübingen Germany University of Tübingen DFG Cluster of Excellence Machine Learning for Science’ Germany Bern University of Applied Sciences Competence Center for Soils Zollikofen Switzerland Simulation and Data Science Müncheberg Germany Federal University of Jataí Institute of Agricultural Sciences Jatai Brazil Federal University of Mato Grosso Instute of Agricultural and Environmental Scinces Sinop Brazil Department of Soil and Environment Skara

Digital soil mapping (DSM) relies on a broad pool of statistical methods, yet determining the optimal method for a given context remains challenging and contentious. Benchmarking studies on multiple datasets are needed to reveal strengths and limitations of commonly used methods. Existing DSM studies usually rely on a single dataset with restricted access, leading to incomplete and potentially misleading conclusions. To address these issues, we introduce an open-access dataset collection called Precision Liming Soil datasets (LimeSoDa). LimeSoDa consists of 31 field- and farm-scale datasets from various countries. Each dataset has three target soil properties: (1) soil organic matter or soil organic carbon, (2) clay content and (3) pH, alongside a set of features. Features are dataset-specific and were obtained by optical spectroscopy, proximal- and remote soil sensing. All datasets were aligned to a tabular format and are ready-to-use for modeling. We demonstrated the use of LimeSoDa for benchmarking by comparing the predictive performance of four learning algorithms across all datasets. This comparison included multiple linear regression (MLR), support vector regression (SVR), categorical boosting (CatBoost) and random forest (RF). The results showed that although no single algorithm was universally superior, certain algorithms performed better in specific contexts. MLR and SVR performed better on high-dimensional spectral datasets, likely due to better compatibility with principal components. In contrast, CatBoost and RF exhibited considerably better performances when applied to datasets with a moderate number ( © 2025, CC BY-SA.

关键词： Adversarial machine learning

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Prediction of Diblock Copolymer Morphology via Machine learning

arXiv

引用

arXiv 2023年

作者： Park, Hyun Yu, Boyuan Park, Juhae Sun, Ge Tajkhorshid, Emad de Pablo, Juan J. Schneider, Ludwig Theoretical and Computational Biophysics Group NIH Resource Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois at Urbana-Champaign UrbanaIL61801 United States Center for Biophysics and Quantitative Biology University of Illinois at Urbana-Champaign UrbanaIL61801 United States Data Science and Learning Division Argonne National Laboratory LemontIL60439 United States Pritzker School of Molecular Engineering University of Chicago 5640 Ellis Ave ChicagoIL60637 United States Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology University of Illinois at Urbana-Champaign UrbanaIL61801 United States Department of Biochemistry University of Illinois at Urbana-Champaign UrbanaIL61801 United States

A machine learning approach is presented to accelerate the computation of block polymer morphology evolution for large domains over long timescales. The strategy exploits the separation of characteristic times between coarse-grained particle evolution on the monomer scale and slow morphological evolution over mesoscopic scales. In contrast to empirical continuum models, the proposed approach learns stochastically driven defect annihilation processes directly from particle-based simulations. A UNet architecture that respects different boundary conditions is adopted, thereby allowing periodic and fixed substrate boundary conditions of arbitrary shape. Physical concepts are also introduced via the loss function and symmetries are incorporated via data augmentation. The model is validated using three different use cases. Explainable artificial intelligence methods are applied to visualize the morphology evolution over time. This approach enables the generation of large system sizes and long trajectories to investigate defect densities and their evolution under different types of confinement. As an application, we demonstrate the importance of accessing late-stage morphologies for understanding particle diffusion inside a single block. This work has implications for directed self-assembly and materials design in micro-electronics, battery materials, and membranes. Copyright © 2023, The Authors. All rights reserved.

关键词： Block copolymers

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The Hitchhiker's Guide to Fused Twins: A Review of Access to Digital Twins in situ in Smart Cities

arXiv

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arXiv 2022年

作者： Grübel, Jascha Thrash, Tyler Aguilar, Leonel Gath-Morad, Michal Chatain, Julia Sumner, Robert W. Hölscher, Christoph Schinazi, Victor R. Cognitive Science ETH Zurich Switzerland Game Technology Center ETH Zurich Switzerland Visual Computing Group Harvard University United States Center for Sustainable Future Mobility ETH Zurich Switzerland Geoinformation Engineering ETH Zurich Switzerland Department of Biology Saint Louis University United States Data Science Systems and Services Group ETH Zurich Switzerland Department of Architecture University of Cambridge United Kingdom Bartlett School of Architecture University College London United Kingdom Professorship for Learning Sciences and Higher Education ETH Zurich Switzerland Department of Psychology Bond University Australia

Smart Cities already surround us, and yet they are still incomprehensibly far from directly impacting everyday life. While current Smart Cities are often inaccessible, the experience of everyday citizens may be enhanced with a combination of the emerging technologies Digital Twins (DTs) and Situated Analytics. DTs represent their Physical Twin (PT) in the real world via models, simulations, (remotely) sensed data, context awareness, and interactions. However, interaction requires appropriate interfaces to address the complexity of the city. Ultimately, leveraging the potential of Smart Cities requires going beyond assembling the DT to be comprehensive and accessible. Situated Analytics allows for the anchoring of city information in its spatial context. We advance the concept of embedding the DT into the PT through Situated Analytics to form Fused Twins (FTs). This fusion allows access to data in the location that it is generated in an embodied context that can make the data more understandable. Prototypes of FTs are rapidly emerging from different domains, but Smart Cities represent the context with the most potential for FTs in the future. This paper reviews DTs, Situated Analytics, and Smart Cities as the foundations of FTs. Regarding DTs, we define five components (Physical, data, Analytical, Virtual, and Connection environments) that we relate to several cognates (i.e., similar but different terms) from existing literature. Regarding Situated Analytics, we review the effects of user embodiment on cognition and cognitive load. Finally, we classify existing partial examples of FTs from the literature and address their construction from Augmented Reality, Geographic Information Systems, Building/City Information Models, and DTs and provide an overview of future directions. © 2022, CC BY.

关键词： Sensor networks

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Set-valued prediction in multi-class classification 31

Set-valued prediction in multi-class classification

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31st Benelux Conference on Artificial Intelligence and the 28th Belgian Dutch Conference on Machine learning, BNAIC/BENELEARN 2019

作者： Mortier, Thomas Wydmuch, Marek Dembczýnski, Krzysztof Hüllermeier, Eyke Waegeman, Willem Department of Data Analysis and Mathematical Modelling Ghent University Belgium Institute of Computing Science Poznán University of Technology Poland Intelligent Systems and Machine Learning Universität Paderborn Germany

In cases of uncertainty, a multi-class classifier preferably returns a set of candidate classes instead of predicting a single class label with little guarantee. More precisely, the classifier should strive for an optimal balance between the correctness (the true class is among the candidates) and the precision (the candidates are not too many) of its prediction. We formalize this problem within a general decision-theoretic framework that unifies most of the existing work in this area. In this framework, uncertainty is quantified in terms of conditional class probabilities, and the quality of a predicted set is measured in terms of a utility function. We then address the problem of finding the Bayes-optimal prediction, i.e., the subset of class labels with highest expected utility. © 2019 for this paper by its authors.

关键词： Forecasting

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Objective frequentist uncertainty quantification for atmospheric CO2 retrievals

arXiv

引用

arXiv 2020年

作者： Patil, Pratik Kuusela, Mikael Hobbs, Jonathan Department of Statistics and Data Science Machine Learning Department Carnegie Mellon University PittsburghPA15213 United States Department of Statistics and Data Science Carnegie Mellon University PittsburghPA15213 United States Jet Propulsion Laboratory California Institute of Technology PasadenaCA91109 United States

The steadily increasing amount of atmospheric carbon dioxide (CO2) is affecting the global climate system and threatening the long-term sustainability of Earth's ecosystem. In order to better understand the sources and sinks of CO2, NASA operates the Orbiting Carbon Observatory-2 & 3 satellites to monitor CO2 from space. These satellites make passive radiance measurements of the sunlight reflected off the Earth's surface in different spectral bands, which are then inverted in an ill-posed inverse problem to obtain estimates of the atmospheric CO2 concentration. In this work, we propose a new CO2 retrieval method that uses known physical constraints on the state variables and direct inversion of the target functional of interest to construct well-calibrated frequentist confidence intervals based on convex programming. We compare the method with the current operational retrieval procedure, which uses prior knowledge in the form of probability distributions to regularize the problem. We demonstrate that the proposed intervals consistently achieve the desired frequentist coverage, while the operational uncertainties are poorly calibrated in a frequentist sense both at individual locations and over a spatial region in a realistic simulation experiment. We also study the influence of specific nuisance state variables on the length of the proposed intervals and identify certain key variables that can greatly reduce the final uncertainty given additional deterministic or probabilistic constraints, and develop a principled framework to incorporate such information into our *** Codes 62P12, 15A29, 62F30, 90C90 Copyright © 2020, The Authors. All rights reserved.

关键词： Carbon dioxide

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Insightful analysis of historical sources at scales beyond human capabilities using unsupervised Machine learning and XAI

arXiv

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arXiv 2023年

作者： Eberle, Oliver Büttner, Jochen El-Hajj, Hassan Montavon, Grégoire Müller, Klaus-Robert Valleriani, Matteo Machine Learning Group Technische Universität Berlin Marchstr. 23 Berlin10587 Germany BIFOLD – Berlin Institute for the Foundations of Learning and Data Berlin10587 Germany Max Planck Institute for the History of Science Boltzmannstr. 22 Berlin14195 Germany Department of Mathematics and Computer Science Freie Universität Berlin Arnimallee 14 Berlin14195 Germany Department of Artificial Intelligence Korea University Seoul136-713 Korea Republic of Max Planck Institute for Informatics Stuhlsatzenhausweg 4 Saarbrücken66123 Germany Institute of History and Philosophy of Science Technology and Literature Faculty I - Humanities and Educational Sciences Technische Universität Berlin Straße des 17. Juni 135 Berlin10623 Germany The Cohn Institute for the History and Philosophy of Science and Ideas Faculty of Humanities Tel Aviv University P.O.B. 39040 Ramat Aviv Tel Aviv6139001 Israel

Historical materials are abundant. Yet, piecing together how human knowledge has evolved and spread both diachronically and synchronically remains a challenge that can so far only be very selectively addressed. The vast volume of materials precludes comprehensive studies, given the restricted number of human specialists. However, as large amounts of historical materials are now available in digital form there is a promising opportunity for AI-assisted historical analysis. In this work, we take a pivotal step towards analyzing vast historical corpora by employing innovative machine learning (ML) techniques, enabling in-depth historical insights on a grand scale. Our study centers on the evolution of knowledge within the ‘Sacrobosco Collection’ – a digitized collection of 359 early modern printed editions of textbooks on astronomy used at European universities between 1472 and 1650 – roughly 76,000 pages, many of which contain astronomic, computational tables. An ML based analysis of these tables helps to unveil important facets of the spatio-temporal evolution of knowledge and innovation in the field of mathematical astronomy in the period, as taught at European universities. Copyright © 2023, The Authors. All rights reserved.

关键词： Machine learning

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An EEG study on college students’ attention levels in a blended computer science class

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PLET: Programmed learning & Educational technology 2024年第4期61卷

作者： Hengtao Tang Miao Dai Xu Du Jui-Long Hung Hao Li a Department of Educational Studies University of South Carolina Columbia SC USA b National Engineering Research Center for E-Learning Central China Normal University Wuhan Hubei China c National Engineering Laboratory for Educational Big Data Central China Normal University Wuhan Hubei Chinad Department of Educational Technology Boise State University Boise Idaho USA

ABSTRACTBlended learning has been widely integrated in college-level computer science education. Despite evidence about benefits of blended learning, students’ in-class activities remain underexplored. To afford effective blended learning experience, supporting students in both modalities is essential. This study thus took an initial step to fill the gap by investigating college students’ in-class activities in a blended course from the perspective of attention. Using non-intrusive electroencephalography (EEG) instruments to collect attentional data, this study found students’ attention in in-class activities positively correlated with their learning gains. Students’ attention also varied across in-class activities, reaching a higher level in group discussions than in pre-tests and lectures. Linear regression analysis indicated students’ length of time spent viewing online resources and their pre-test scores significantly predicted their in-class attention. The findings of the study provide insight into course design and facilitation for effective blended computer science courses.

关键词： Electroencephalography (EEG) attention blended learning computer science higher education

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learning Domain Invariant Representations by Joint Wasserstein Distance Minimization

arXiv

引用

arXiv 2021年

作者： Andéol, Léo Kawakami, Yusei Wada, Yuichiro Kanamori, Takafumi Müller, Klaus-Robert Montavon, Grégoire Machine Learning group Technische Universität Berlin Berlin10587 Germany Tokyo Institute of Technology Tokyo Japan Berlin Institute for the Foundations of Learning and Data – BIFOLD Berlin10587 Germany Fujitsu Laboratories Ltd. Japan RIKEN AIP Japan Max Planck Institute for Informatics Stuhlsatzenhausweg 4 Saarbrücken66123 Germany Department of Artificial Intelligence Korea University Seoul136-713 Korea Republic of Google Deepmind Berlin Germany Department of Mathematics and Computer Science Freie Universität Berlin Berlin14195 Germany

Domain shifts in the training data are common in practical applications of machine learning;they occur for instance when the data is coming from different sources. Ideally, a ML model should work well independently of these shifts, for example, by learning a domain-invariant representation. However, common ML losses do not give strong guarantees on how consistently the ML model performs for different domains, in particular, whether the model performs well on a domain at the expense of its performance on another domain. In this paper, we build new theoretical foundations for this problem, by contributing a set of mathematical relations between classical losses for supervised ML and the Wasserstein distance in joint space (i.e. representation and output space). We show that classification or regression losses, when combined with a GAN-type discriminator between domains, form an upper-bound to the true Wasserstein distance between domains. This implies a more invariant representation and also more stable prediction performance across domains. Theoretical results are corroborated empirically on several image datasets. Our proposed approach systematically produces the highest minimum classification accuracy across domains, and the most invariant representation. Copyright © 2021, The Authors. All rights reserved.

关键词： Machine learning

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Machine learning with data assimilation and uncertainty quantification for dynamical systems: a review

arXiv

引用

arXiv 2023年

作者： Cheng, Sibo Quilodrán-Casas, César Ouala, Said Farchi, Alban Liu, Che Tandeo, Pierre Fablet, Ronan Lucor, Didier Iooss, Bertrand Brajard, Julien Xiao, Dunhui Janjic, Tijana Ding, Weiping Guo, Yike Carrassi, Alberto Bocquet, Marc Arcucci, Rossella Data Science Institute Department of Computing Imperial College London LondonSW7 2AZ United Kingdom Department of Earth Science and Engineering Imperial College London LondonSW7 2AZ United Kingdom Department of Computer Science and Engineering Hong Kong University of Science and Technology 999077 Hong Kong IMT Atlantique Lab-STICC UMR CNRS 6285 France and Odyssey Inria/IMT France RIKEN Center for Computational Science Kobe Japan CEREA École des Ponts and EDF R&D île-de-France France The Laboratoire Interdisciplinaire des Sciences du Numérique CNRS Paris-Saclay University OrsayF-91403 France 78401 Chatou France Institut de Mathématiques de Toulouse Toulouse31062 France SINCLAIR AI Lab Saclay France Bergen Norway School of Mathematical Sciences Tongji University Shanghai200092 China Mathematical Institute for Machine Learning and Data Science KU Eichstätt-Ingolstadt Bavaria Germany School of Information Science and Technology Nantong University Nantong226019 China Department of Physics and Astronomy Augusto Righi University of Bologna Bologna40124 Italy

data Assimilation (DA) and Uncertainty quantification (UQ) are extensively used in analysing and reducing error propagation in high-dimensional spatial-temporal dynamics. Typical applications span from computational fluid dynamics (CFD) to geoscience and climate systems. Recently, much effort has been given in combining DA, UQ and machine learning (ML) techniques. These research efforts seek to address some critical challenges in high-dimensional dynamical systems, including but not limited to dynamical system identification, reduced order surrogate modelling, error covariance specification and model error correction. A large number of developed techniques and methodologies exhibit a broad applicability across numerous domains, resulting in the necessity for a comprehensive guide. This paper provides the first overview of the state-of-the-art researches in this interdisciplinary field, covering a wide range of applications. This review aims at ML scientists who attempt to apply DA and UQ techniques to improve the accuracy and the interpretability of their models, but also at DA and UQ experts who intend to integrate cutting-edge ML approaches to their systems. Therefore, this article has a special focus on how ML methods can overcome the existing limits of DA and UQ, and vice versa. Some exciting perspectives of this rapidly developing research field are also discussed. © 2023, CC BY-NC-SA.

关键词： Dynamical systems

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Automated Diagnosis of Cardiovascular Diseases from Cardiac Magnetic Resonance Imaging Using Deep learning Models: A Review

arXiv

引用

arXiv 2022年

作者： Jafari, Mahboobeh Shoeibi, Afshin Khodatars, Marjane Ghassemi, Navid Moridian, Parisa Delfan, Niloufar Alizadehsani, Roohallah Khosravi, Abbas Ling, Sai Ho Zhang, Yu-Dong Wang, Shui-Hua Gorriz, Juan M. Rokny, Hamid Alinejad Acharya, U. Rajendra Internship in BioMedical Machine Learning Lab The Graduate School of Biomedical Engineering UNSW Sydney SydneyNSW2052 Australia Data Science and Computational Intelligence Institute University of Granada Spain Department of Medical Engineering Mashhad Branch Islamic Azad University Mashhad Iran Faculty of Computer Engineering Dept. of Artificial Intelligence Engineering K. N. Toosi University of Technology Tehran Iran Deakin University VIC3217 Australia Australia School of Computing and Mathematical Sciences University of Leicester Leicester United Kingdom Department of Psychiatry University of Cambridge United Kingdom BioMedical Machine Learning Lab The Graduate School of Biomedical Engineering UNSW Sydney SydneyNSW2052 Australia UNSW Data Science Hub The University of New South Wales SydneyNSW2052 Australia Research Centre Macquarie University Sydney2109 Australia Ngee Ann Polytechnic Singapore599489 Singapore Dept. of Biomedical Informatics and Medical Engineering Asia University Taichung Taiwan Dept. of Biomedical Engineering School of Science and Technology Singapore University of Social Sciences Singapore

In recent years, cardiovascular diseases (CVDs) have become one of the leading causes of mortality globally. CVDs appear with minor symptoms and progressively get worse. The majority of people experience symptoms such as exhaustion, shortness of breath, ankle swelling, fluid retention, and other symptoms when starting CVD. Coronary artery disease (CAD), arrhythmia, cardiomyopathy, congenital heart defect (CHD), mitral regurgitation, and angina are the most common CVDs. Clinical methods such as blood tests, electrocardiography (ECG) signals, and medical imaging are the most effective methods used for the detection of CVDs. Among the diagnostic methods, cardiac magnetic resonance imaging (CMR) is increasingly used to diagnose, monitor the disease, plan treatment and predict CVDs. Coupled with all the advantages of CMR data, CVDs diagnosis is challenging for physicians due to many slices of data, low contrast, etc. To address these issues, deep learning (DL) techniques have been employed to the diagnosis of CVDs using CMR data, and much research is currently being conducted in this field. This review provides an overview of the studies performed in CVDs detection using CMR images and DL techniques. The introduction section examined CVDs types, diagnostic methods, and the most important medical imaging techniques. In the following, investigations to detect CVDs using CMR images and the most significant DL methods are presented. Another section discussed the challenges in diagnosing CVDs from CMR data. Next, the discussion section discusses the results of this review, and future work in CVDs diagnosis from CMR images and DL techniques are outlined. The most important findings of this study are presented in the conclusion section. © 2022, CC BY-NC-ND.

关键词： Electrocardiography

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