相关论文: MADAS -- A Python framework for assessing similari…

The availability of metadata for scientific documents is pivotal in propelling scientific knowledge forward and for adhering to the FAIR principles (i.e. Findability, Accessibility, Interoperability, and Reusability) of research findings.…

X-ray absorption spectroscopy (XAS) is a powerful technique to probe the electronic and structural properties of materials. With the rapid growth in both the volume and complexity of XAS datasets driven by advancements in synchrotron…

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted…

A flexible and highly-extensible data assimilation testing suite, named DATeS, is described in this paper. DATeS aims to offer a unified testing environment that allows researchers to compare different data assimilation methodologies and…

Measuring similarity between two images often requires performing complex reasoning along different axes (e.g., color, texture, or shape). Insights into what might be important for measuring similarity can can be provided by annotated…

Choosing a suitable deep learning architecture for multimodal data fusion is a challenging task, as it requires the effective integration and processing of diverse data types, each with distinct structures and characteristics. In this…

Similarity search finds objects that are similar to a given query object based on a similarity metric. As the amount and variety of data continue to grow, similarity search in metric spaces has gained significant attention. Metric spaces…

Two-dimensional (2D) materials have shown broad application prospects in fields such as energy, environment, and aerospace owing to their unique electrical, mechanical, thermal and other properties. With the development of artificial…

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

Information theory, i.e. the mathematical analysis of information and of its processing, has become a tenet of modern science; yet, its use in real-world studies is usually hindered by its computational complexity, the lack of coherent…

Partial Information Decomposition (PID) has become one of the most prominent information-theoretic frameworks for describing the structure and quality of information in complex systems. Despite its widespread utility, there exists no unique…

Pattern matching is a powerful tool for symbolic computations, based on the well-defined theory of term rewriting systems. Application domains include algebraic expressions, abstract syntax trees, and XML and JSON data. Unfortunately, no…

Identifying similar protein sequences is a core step in many computational biology pipelines such as detection of homologous protein sequences, generation of similarity protein graphs for downstream analysis, functional annotation and gene…

The covariance matrix adaptation evolution strategy (CMA-ES) has been highly effective in black-box continuous optimization, as demonstrated by its success in both benchmark problems and various real-world applications. To address the need…

Finding the set of the n items most dissimilar from each other out of a larger population becomes increasingly difficult and computationally expensive as either n or the population size grows large. Finding the set of the n most dissimilar…

Similarity search in math is to find mathematical expressions that are similar to a user's query. We conceptualized the similarity factors between mathematical expressions, and proposed an approach to math similarity search (MSS) by…

The concept of matching dependencies (mds) is recently pro- posed for specifying matching rules for object identification. Similar to the functional dependencies (with conditions), mds can also be applied to various data quality…

Despite the effort put into the detection of academic plagiarism, it continues to be a ubiquitous problem spanning all disciplines. Various tools have been developed to assist human inspectors by automatically identifying suspicious…

In many applications, such as physiology and finance, large time series data bases are to be analyzed requiring the computation of linear, nonlinear and other measures. Such measures have been developed and implemented in commercial and…

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…