English
Related papers

Related papers: MADAS -- A Python framework for assessing similari…

200 papers

We describe how Python can be leveraged to streamline the curation, modelling and dissemination of drug discovery data as well as the development of innovative, freely available tools for the related scientific community. We look at various…

Other Computer Science · Computer Science 2016-07-05 Michał Nowotka , George Papadatos , Mark Davies , Nathan Dedman , Anne Hersey

The purpose of this paper is to show how existing scientific software can be parallelized using a separate thin layer of Python code where all parallel communication is implemented. We provide specific examples on such layers of code, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-18 Jon K. Nilsen , Xing Cai , Bjorn Hoyland , Hans Petter Langtangen

Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialized systems for information and knowledge management have been created in…

Materials Science · Physics 2025-10-09 Victor Dudarev , Lars Banko , Alfred Ludwig

The study of canvas fabrics in works of art is a crucial tool for authentication, attribution and conservation. Traditional methods are based on thread density map matching, which cannot be applied when canvases do not come from contiguous…

Computer Vision and Pattern Recognition · Computer Science 2025-06-26 Juan José Murillo-Fuentes , Pablo M. Olmos , Laura Alba-Carcelén

Yamdb (Yet another materials data base) addresses the need to provide thermophysical properties of liquid metals and molten salts in an easily accessible manner. Mathematical relations describing material properties - usually determined by…

Materials Science · Physics 2024-02-20 Tom Weier , William Nash , Paolo Personnettaz , Norbert Weber

`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many…

The thickness of 2D materials not only plays a crucial role in determining the performance of nanoelectronic and optoelectronic devices but also introduces complexities in predicting volume-dependent properties such as energy storage…

Materials Science · Physics 2024-05-27 Chinedu Ekuma

Predictive student models are increasingly used in learning environments due to their ability to enhance educational outcomes and support stakeholders in making informed decisions. However, predictive models can be biased and produce unfair…

Machine Learning · Computer Science 2023-07-24 Mélina Verger , Sébastien Lallé , François Bouchet , Vanda Luengo

Predictive systems, in particular machine learning algorithms, can take important, and sometimes legally binding, decisions about our everyday life. In most cases, however, these systems and decisions are neither regulated nor certified.…

Machine Learning · Computer Science 2022-09-09 Kacper Sokol , Alexander Hepburn , Rafael Poyiadzi , Matthew Clifford , Raul Santos-Rodriguez , Peter Flach

Predictive student models are increasingly used in learning environments. However, due to the rising social impact of their usage, it is now all the more important for these models to be both sufficiently accurate and fair in their…

Computers and Society · Computer Science 2024-07-09 Mélina Verger , Chunyang Fan , Sébastien Lallé , François Bouchet , Vanda Luengo

Prediction of material property is a key problem because of its significance to material design and screening. We present a brand-new and general machine learning method for material property prediction. As a representative example, polymer…

Machine Learning · Computer Science 2022-03-01 Zhilong Liang , Zhiwei Li , Shuo Zhou , Yiwen Sun , Changshui Zhang , Jinying Yuan

Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of…

Selecting influential data for fine-tuning on downstream tasks is a key factor for both performance and computation efficiency. Recent works have shown that training with only limited data can show a superior performance on general tasks.…

Computation and Language · Computer Science 2024-09-10 Xinzhe Ni , Yeyun Gong , Zhibin Gou , Yelong Shen , Yujiu Yang , Nan Duan , Weizhu Chen

In this paper, we propose the Matting Anything Model (MAM), an efficient and versatile framework for estimating the alpha matte of any instance in an image with flexible and interactive visual or linguistic user prompt guidance. MAM offers…

Computer Vision and Pattern Recognition · Computer Science 2023-11-20 Jiachen Li , Jitesh Jain , Humphrey Shi

Businesses, governmental bodies and NGO's have an ever-increasing amount of data at their disposal from which they try to extract valuable information. Often, this needs to be done not only accurately but also within a short time frame.…

Machine Learning · Computer Science 2021-09-16 Pim Verschuuren , Serena Palazzo , Tom Powell , Steve Sutton , Alfred Pilgrim , Michele Faucci Giannelli

Feature matching is a crucial task in the field of computer vision, which involves finding correspondences between images. Previous studies achieve remarkable performance using learning-based feature comparison. However, the pervasive…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Yesheng Zhang , Xu Zhao

Materials informatics (MI), emerging from the integration of materials science and data science, is expected to significantly accelerate material development and discovery. The data used in MI are derived from both computational and…

Materials Science · Physics 2025-04-09 Yusuke Hashimoto , Xue Jia , Hao Li , Takaaki Tomai

Correspondence identifies relationships among objects via similarities among their components; it is ubiquitous in the analysis of spatial datasets, including images, weather maps, and computational simulations. This paper develops a novel…

Artificial Intelligence · Computer Science 2007-05-23 Chris Bailey-Kellogg , Naren Ramakrishnan

Obtaining in-depth understanding of the relationships between the additive manufacturing (AM) process, microstructure and mechanical properties is crucial to overcome barriers in AM. In this study, database of metal AM was created thanks to…

Materials Science · Physics 2023-09-01 Raymond Wong , Anh Tran , Bogdan Dovgyy , Claudia Santos Maldonado , Minh-Son Pham

This version is ***superseded*** by a full version that can be found at http://www.itu.dk/people/pagh/papers/mining-jour.pdf, which contains stronger theoretical results and fixes a mistake in the reporting of experiments. Abstract:…

Data Structures and Algorithms · Computer Science 2010-02-17 Andrea Campagna , Rasmus Pagh