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Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

Machine Learning · Computer Science 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li

Accurate short-term state forecasting is essential for efficient and stable operation of modern power systems, especially in the context of increasing variability introduced by renewable and distributed energy resources. As these systems…

Machine Learning · Computer Science 2026-05-13 Raffael Theiler , Olga Fink

Causal structure learning has been a challenging task in the past decades and several mainstream approaches such as constraint- and score-based methods have been studied with theoretical guarantees. Recently, a new approach has transformed…

Machine Learning · Computer Science 2019-11-19 Ignavier Ng , Shengyu Zhu , Zhitang Chen , Zhuangyan Fang

Time series are the primary data type used to record dynamic system measurements and generated in great volume by both physical sensors and online processes (virtual sensors). Time series analytics is therefore crucial to unlocking the…

Machine Learning · Computer Science 2024-08-12 Ming Jin , Huan Yee Koh , Qingsong Wen , Daniele Zambon , Cesare Alippi , Geoffrey I. Webb , Irwin King , Shirui Pan

Batteries with silicon-graphite-based anodes, which offer higher energy density and improved charging performance, introduce pronounced voltage hysteresis, making state-of-charge (SoC) estimation particularly challenging. Existing…

GraphRT is a graph based deep learning model that predicts the retention time (RT) of peptides in liquid chromatography tandem mass spectrometry (LC MSMS) experiments. Each amino acid is represented as a graph, capturing its atomic and…

Biomolecules · Quantitative Biology 2024-02-06 Mark Drvodelic , Mingming Gong , Andrew I. Webb

A rapid transformation of current electric power and natural gas (NG) infrastructure is imperative to meet the mid-century goal of CO2 emissions reduction requires. This necessitates a long-term planning of the joint power-NG system under…

Machine Learning · Computer Science 2022-09-27 Aron Brenner , Rahman Khorramfar , Dharik Mallapragada , Saurabh Amin

With the increased complexity of power systems due to the integration of smart grid technologies and renewable energy resources, more frequent changes have been introduced to system status, and the traditional serial mode of state…

Systems and Control · Computer Science 2018-03-12 Chen Yuan , Yuqi Zhou , Guofang Zhang , Guangyi Liu , Renchang Dai , Xi Chen , Zhiwei Wang

Graph autoencoders have gained attention in nonlinear reduced-order modeling of parameterized partial differential equations defined on unstructured grids. Despite they provide a geometrically consistent way of treating complex domains,…

Numerical Analysis · Mathematics 2025-12-01 Yuanhong Chen , Federico Pichi , Zhen Gao , Gianluigi Rozza

Techniques to reduce the energy burden of an industrial ecosystem often require solving a multiobjective optimization problem. However, collecting experimental data can often be either expensive or time-consuming. In such cases, statistical…

Machine Learning · Computer Science 2021-09-07 Akira Horiguchi , Thomas J. Santner , Ying Sun , Matthew T. Pratola

For analysing real-world networks, graph representation learning is a popular tool. These methods, such as a graph autoencoder (GAE), typically rely on low-dimensional representations, also called embeddings, which are obtained through…

Machine Learning · Computer Science 2024-02-05 Ruikang Ouyang , Andrew Elliott , Stratis Limnios , Mihai Cucuringu , Gesine Reinert

In this work, we address the problem of long-distance navigation for battery electric vehicles (BEVs), where one or more charging sessions are required to reach the intended destination. We consider the availability and performance of the…

Machine Learning · Computer Science 2023-01-19 Niklas Åkerblom , Morteza Haghir Chehreghani

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

Graph simulation has recently received a surge of attention in graph processing and analytics. In real-life applications, e.g. social science, biology, and chemistry, many graphs are composed of a series of evolving graphs (i.e., temporal…

Machine Learning · Computer Science 2025-10-08 Sheng Xiang , Chenhao Xu , Dawei Cheng , Xiaoyang Wang , Ying Zhang

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

To date, power electronics parameter design tasks are usually tackled using detailed optimization approaches with detailed simulations or using brute force grid search grid search with very fast simulations. A new method, named…

Machine Learning · Computer Science 2023-10-17 Dominik Happel , Philipp Brendel , Andreas Rosskopf , Stefan Ditze

Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…

Materials Science · Physics 2023-10-12 Pratik Brahma , Krishnakumar Bhattaram , Sayeef Salahuddin

Autoencoders are effective deep learning models that can function as generative models and learn latent representations for downstream tasks. The use of graph autoencoders - with both encoder and decoder implemented as message passing…

Machine Learning · Computer Science 2025-03-04 Magnus Cunow , Gerrit Großmann

Recent surge in the number of Electric Vehicles have created a need to develop inexpensive energy-dense Battery Storage Systems. Many countries across the planet have put in place concrete measures to reduce and subsequently limit the…

Machine Learning · Computer Science 2023-04-14 Janamejaya Channegowda , Vageesh Maiya , Chaitanya Lingaraj

The Electric Vehicle (EV) Industry has seen extraordinary growth in the last few years. This is primarily due to an ever increasing awareness of the detrimental environmental effects of fossil fuel powered vehicles and availability of…

Machine Learning · Computer Science 2021-12-01 Aniruddh Herle , Janamejaya Channegowda , Dinakar Prabhu