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