Related papers: Reliable and interoperable computational molecular…
Situation awareness is a crucial cognitive skill that enables individuals to perceive, comprehend, and project the current state of their environment accurately. It involves being conscious of relevant information, understanding its…
Realisation of significant advances in capabilities of sensors, computing, timing, and communication enabled by quantum technologies is dependent on engineering highly complex systems that integrate quantum devices into existing classical…
Multiple logic-based reconstructions of conceptual data modelling languages such as EER, UML Class Diagrams, and ORM exist. They mainly cover various fragments of the languages and none are formalised such that the logic applies…
Conceptual models as representations of real-world systems are based on diverse techniques in various disciplines but lack a framework that provides multidisciplinary ontological understanding of real-world phenomena. Concurrently, systems…
Molecular optimization is a key challenge in drug discovery and material science domain, involving the design of molecules with desired properties. Existing methods focus predominantly on single-property optimization, necessitating…
Ontologies of research topics are crucial for structuring scientific knowledge, enabling scientists to navigate vast amounts of research, and forming the backbone of intelligent systems such as search engines and recommendation systems.…
Ontology Matching (OM), is a critical task in knowledge integration, where aligning heterogeneous ontologies facilitates data interoperability and knowledge sharing. Traditional OM systems often rely on expert knowledge or predictive…
We introduce ETOM, a five-level benchmark for evaluating multi-hop, end-to-end tool orchestration by LLM agents within a hierarchical Model-Context Protocol (MCP) ecosystem. Existing benchmarks often assess tools in isolation, overlooking…
Cross-lingual representations of words enable us to reason about word meaning in multilingual contexts and are a key facilitator of cross-lingual transfer when developing natural language processing models for low-resource languages. In…
The Open Knowledgebase of Interatomic Models (OpenKIM) project is a framework intended to facilitate access to standardized implementations of interatomic models for molecular simulations along with computational protocols to evaluate them.…
This study presents a versatile ontology and a useful codification scheme for describing all kinds of engineered living materials (ELMs). The different components of the ontology, namely: families according to the taxonomy for ELMs,…
Metal-organic frameworks (MOFs) are a highly tunable class of crystalline materials where metal atoms or clusters are connected by organic linkers. They offer a versatile platform for exploring quantum phenomena such as entangled magnetism,…
Foundation models (FMs), including large language models, have become increasingly popular due to their wide-ranging applicability and ability to understand human-like semantics. While previous research has explored the use of FMs in…
The terms 'semantics' and 'ontology' are increasingly appearing together with 'explanation', not only in the scientific literature, but also in organizational communication. However, all of these terms are also being significantly…
This article deals with the semantic Web and ontologies. It addresses the issue of the classification of multilingual Web documents, based on domain ontology. The objective is being able, using a model, to classify documents in different…
In the context of today's high-pressure, aging society, the demand for large-scale emotional models capable of providing empathetic support is more critical than ever. However, existing benchmarks fail to simultaneously achieve ecological…
Modern large-scale automation systems integrate thousands to hundreds of thousands of physical sensors and actuators. Demands for more flexible reconfiguration of production systems and optimization across different information models,…
This paper is devoted to the problems of ontology-based mathematical knowledge management and representation. The main attention is paid to the development of a formal model for the representation of mathematical statements in the Open…
The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory,…