English
Related papers

Related papers: The Open Catalyst 2020 (OC20) Dataset and Communit…

200 papers

Open set recognition requires a classifier to detect samples not belonging to any of the classes in its training set. Existing methods fit a probability distribution to the training samples on their embedding space and detect outliers…

Computer Vision and Pattern Recognition · Computer Science 2020-08-05 Hongjie Zhang , Ang Li , Jie Guo , Yanwen Guo

Computer vision-based deep learning object detection algorithms have been developed sufficiently powerful to support the ability to recognize various objects. Although there are currently general datasets for object detection, there is…

Computer Vision and Pattern Recognition · Computer Science 2023-05-18 Rui Duan , Hui Deng , Mao Tian , Yichuan Deng , Jiarui Lin

High-entropy materials (HEMs) have recently emerged as a significant category of materials, offering highly tunable properties. However, the scarcity of HEM data in existing density functional theory (DFT) databases, primarily due to…

Materials Science · Physics 2024-06-04 Kangming Li , Kamal Choudhary , Brian DeCost , Michael Greenwood , Jason Hattrick-Simpers

Catalyst design is crucial for materials synthesis, especially for complex reaction networks. Strategies like collaborative catalytic systems and multifunctional catalysts are effective but face challenges at the nanoscale. Carbon nanotube…

Materials Science · Physics 2025-12-19 Liu Qian , Yue Li , Ying Xie , Jian Zhang , Pai Li , Yue Yu , Zhe Liu , Feng Ding , Jin Zhang

Distributional shift, or the mismatch between training and deployment data, is a significant obstacle to the usage of machine learning in high-stakes industrial applications, such as autonomous driving and medicine. This creates a need to…

In the last decade, extended efforts have been poured into energy efficiency. Several energy consumption datasets were henceforth published, with each dataset varying in properties, uses and limitations. For instance, building energy…

Computers and Society · Computer Science 2020-09-18 Yassine Himeur , Abdullah Alsalemi , Faycal Bensaali , Abbes Amira

Terrestrial carbon fluxes provide vital information about our biosphere's health and its capacity to absorb anthropogenic CO$_2$ emissions. The importance of predicting carbon fluxes has led to the emerging field of data-driven carbon flux…

Machine Learning · Computer Science 2025-03-25 Matthew Fortier , Mats L. Richter , Oliver Sonnentag , Chris Pal

Automated plankton image recognition is increasingly used in aquatic ecosystem monitoring, but deployed classifiers inevitably encounter unseen taxa and non-target particles. Open-set recognition methods are usually evaluated with…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Xi Chen , Eryuan Huang , Yingjun Xiao , Gang Fang

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit…

Information Retrieval · Computer Science 2023-06-08 Vijay Viswanathan , Luyu Gao , Tongshuang Wu , Pengfei Liu , Graham Neubig

Quantum-mechanical simulations can offer atomic-level insights into chemical processes on surfaces. This understanding is crucial for the rational design of new solid catalysts as well as materials to store energy and mitigate greenhouse…

Wildfire monitoring and prediction are essential for understanding wildfire behaviour. With extensive Earth observation data, these tasks can be integrated and enhanced through multi-task deep learning models. We present a comprehensive…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Yu Zhao , Sebastian Gerard , Yifang Ban

While deep learning techniques have proven successful in image-related tasks, the exponentially increased data storage and computation costs become a significant challenge. Dataset distillation addresses these challenges by synthesizing…

Computer Vision and Pattern Recognition · Computer Science 2024-09-09 Zhe Li , Weitong Zhang , Sarah Cechnicka , Bernhard Kainz

The recent breakthroughs in computer vision have benefited from the availability of large representative datasets (e.g. ImageNet and COCO) for training. Yet, robotic vision poses unique challenges for applying visual algorithms developed…

Computer Vision and Pattern Recognition · Computer Science 2020-03-09 Qi She , Fan Feng , Xinyue Hao , Qihan Yang , Chuanlin Lan , Vincenzo Lomonaco , Xuesong Shi , Zhengwei Wang , Yao Guo , Yimin Zhang , Fei Qiao , Rosa H. M. Chan

We present TaskSet, a dataset of tasks for use in training and evaluating optimizers. TaskSet is unique in its size and diversity, containing over a thousand tasks ranging from image classification with fully connected or convolutional…

Machine Learning · Computer Science 2020-04-02 Luke Metz , Niru Maheswaranathan , Ruoxi Sun , C. Daniel Freeman , Ben Poole , Jascha Sohl-Dickstein

We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent calculation parameters. The database contains over 20,000…

Density functional theory (DFT) is the most promising method for calculating quantum properties of molecules and materials at moderate and large scales. However, commonly used density functional approximations (DFAs) have systematic…

Chemical Physics · Physics 2026-03-24 Yichen Fan , Jacob Z. Williams , Weitao Yang

High-quality power flow datasets are essential for training machine learning models in power systems. However, security and privacy concerns restrict access to real-world data, making statistically accurate and physically consistent…

Machine Learning · Computer Science 2025-08-26 Milad Hoseinpour , Vladimir Dvorkin

We present the second edition of OpenEDS dataset, OpenEDS2020, a novel dataset of eye-image sequences captured at a frame rate of 100 Hz under controlled illumination, using a virtual-reality head-mounted display mounted with two…

Computer Vision and Pattern Recognition · Computer Science 2020-05-11 Cristina Palmero , Abhishek Sharma , Karsten Behrendt , Kapil Krishnakumar , Oleg V. Komogortsev , Sachin S. Talathi

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when…

Several methods have been proposed in the literature to improve the quality of AC optimal power flow (AC-OPF) datasets used in machine learning (ML) models. Yet, scalability to large power systems remains unaddressed and comparing…

Systems and Control · Electrical Eng. & Systems 2025-08-27 Matteo Baù , Luca Perbellini , Samuele Grillo