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We introduce a pioneering approach to self-supervised learning for point clouds, employing a geometrically informed mask selection strategy called GeoMask3D (GM3D) to boost the efficiency of Masked Auto Encoders (MAE). Unlike the…

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

In this work, we propose a novel Parameter-Efficient Fine-Tuning (PEFT) approach based on Gaussian Graphical Models (GGMs), marking the first application of GGMs to PEFT tasks, to the best of our knowledge. The proposed method utilizes the…

Machine Learning · Computer Science 2024-12-12 Jingjing Zheng , Yankai Cao

Network security has become the biggest concern in the area of cyber security because of the exponential growth in computer networks and applications. Intrusion detection plays an important role in the security of information systems or…

Cryptography and Security · Computer Science 2022-10-07 Zareen Fatima , Arshad Ali

The predictability of a certain effect or phenomenon is often equated with the knowledge of relevant physical laws, typically understood as a functional or numerically derived relationship between the observations and known states of the…

We present a novel approach for adaptive, differentiable parameterization of large-scale random fields. If the approach is coupled with any gradient-based optimization algorithm, it can be applied to a variety of optimization problems,…

Machine Learning · Computer Science 2020-06-09 Maksim Elizarev , Andrei Mukhin , Aleksey Khlyupin

Photovoltaic (PV) systems allow us to tap into all abundant solar energy, however they require regular maintenance for high efficiency and to prevent degradation. Traditional manual health check, using Electroluminescence (EL) imaging, is…

Image and Video Processing · Electrical Eng. & Systems 2025-07-15 Abhishek Jha , Yogesh Rawat , Shruti Vyas

Predictions of nuclear models guide the design of nuclear facilities to ensure their safe and efficient operation. Because nuclear models often do not perfectly reproduce available experimental data, decisions based on their predictions may…

Nuclear Theory · Physics 2018-11-22 Georg Schnabel

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

Identifying complex phenotypes from high-dimensional biological data is challenging due to the intricate interdependencies among different physiological indicators. Traditional approaches often focus on detecting outliers in single…

Machine Learning · Statistics 2024-10-24 Yafei Shen , Tao Zhang , Zhiwei Liu , Kalliopi Kostelidou , Ying Xu , Ling Yang

The design of molecules and materials with tailored properties is challenging, as candidate molecules must satisfy multiple competing requirements that are often difficult to measure or compute. While molecular structures, produced through…

Chemical Physics · Physics 2023-02-07 Julia Westermayr , Joe Gilkes , Rhyan Barrett , Reinhard J. Maurer

We propose a new method, called a deep-genetic algorithm (deep-GA), to accelerate the performance of the so-called deep-BSDE method, which is a deep learning algorithm to solve high dimensional partial differential equations through their…

A deep learning model is employed to address the challenging problem of V2O5 nanoparticle segmentation and the correlation between the chemical composition and the geometrical features of lithiated V2O5 nanoparticles as an exemplar of a…

The recent advent of deep artificial neural networks has resulted in a dramatic increase in performance for object classification and detection. While pre-trained with everyday objects, we find that a state-of-the-art object detection…

Plasma Physics · Physics 2022-10-07 Jinpu Lin , Florian Haberstroh , Stefan Karsch , Andreas Döpp

Automated analysis of complex systems based on multiple readouts remains a challenge. Change point detection algorithms are aimed to locating abrupt changes in the time series behaviour of a process. In this paper, we present a novel change…

Machine Learning · Computer Science 2023-10-05 Artem Ryzhikov , Mikhail Hushchyn , Denis Derkach

Parameter identification for electrochemical battery models has always been challenging due to the multitude of parameters involved, most of which cannot be directly measured. This paper evaluates the efficiency and optimality of three…

Systems and Control · Electrical Eng. & Systems 2025-11-04 Feng Guo , Luis D. Couto , Guillaume Thenaisie

A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an effective and efficient method for defect structure…

Materials Science · Physics 2021-04-01 Anuj Goyal , Prashun Gorai , Haowei Peng , Stephan Lany , Vladan Stevanovic

This paper introduces a new method for 3D point cloud registration based on deep learning. The architecture is composed of three distinct blocs: (i) an encoder composed of a convolutional graph-based descriptor that encodes the immediate…

Computer Vision and Pattern Recognition · Computer Science 2023-10-27 Karim Slimani , Brahim Tamadazte , Catherine Achard

We present PM2Lat, a fast and generalized framework for accurately predicting the latency of deep neural network models on GPUs, with special focus on NVIDIA. Unlike prior methods that rely on deep learning models or handcrafted heuristics,…

Performance · Computer Science 2026-03-03 Truong-Thanh Le , Hoang-Loc La , Amir Taherkordi , Frank Eliassen , Phuong Hoai Ha and , Peiyuan Guan

3D anomaly detection in point-cloud data is critical for industrial quality control, aiming to identify structural defects with high reliability. However, current memory bank-based methods often suffer from inconsistent feature…

Computer Vision and Pattern Recognition · Computer Science 2025-10-21 Yuyang Yu , Zhengwei Chen , Xuemiao Xu , Lei Zhang , Haoxin Yang , Yongwei Nie , Shengfeng He