Results 121 to 130 of about 11,677,433 (308)

Graph kernel extensions and experiments with application to molecule classification, lead hopping and multiple targets

, 2009
The discovery of drugs that can effectively treat disease and alleviate pain is one of the core challenges facing modern medicine. The tools and techniques of machine learning have perhaps the greatest potential to provide a fast and efficient route ...
Demco, Anthony A, Demco, Anthony A.
core   +1 more source

Edge-centric optimization: a novel strategy for minimizing information loss in graph-to-text generation

Complex & Intelligent Systems
Given the remarkable text generation capabilities of pre-trained language models, impressive results have been realized in graph-to-text generation.
Yao Zheng, Jingyuan Li, Jianhe Cen, Shiqi Sun, Dahu Yin, Yuanzhuo Wang   +5 more
doaj   +1 more source

Size and community structure affect abstract graph learning.

Cognitive graphs represent relationships of learned associations between items or concepts, such as social relationships within a friend group or a network of streets. It is unknown what properties of graphs affect the ability of individuals to mentally represent and navigate these structures. Primary candidates are 1.
Kapogianis, Theodoros, Bornstein, Aaron, Chrastil, Elizabeth   +2 more
openaire   +1 more source

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +1 more source

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

Quantum LOSR networks cannot generate graph states with high fidelity

npj Quantum Information
Quantum networks lead to novel notions of locality and correlations and an important problem concerns the question of which quantum states can be experimentally prepared with a given network structure and devices and which not.
Yi-Xuan Wang, Zhen-Peng Xu, Otfried Gühne   +2 more
doaj   +1 more source

A Knowledge‐Based Approach for Understanding and Managing Additive Manufacturing Data

Advanced Engineering Materials, EarlyView.
Additive manufacturing processes generate a large amount of data. Effectively managing, understanding, and retrieving information from this data remains a major challenge. Therefore, we propose an ontology‐based approach to integrate heterogeneous data, enable semantic queries, and support decision‐making.
Mina Abd Nikooie Pour, Prithwish Tarafder, Anton Wiberg, Huanyu Li, Johan Moverare, Patrick Lambrix   +5 more
wiley   +1 more source

Joint event extraction model based on dynamic attention matching and graph attention networks

Scientific Reports
Event extraction is one of the important processes in event knowledge graph construction. However, extant event extraction models are confronted with the challenge of handling vague and unfamiliar event trigger words as well as noise that is prevalent in
Jiajun Cheng, Wenjie Liu, Zhifan Wang, Zhijie Ren, Xingwen Li   +4 more
doaj   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Is an Apple an Orange? A Large Language Model Benchmark for Candidate Term Extraction and Subclass Decisions Against Upper Ontologies in Engineering and Materials Science

Advanced Engineering Materials, EarlyView.
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch, Maximilian Holland, Klaus Drechsler, Johannes Schilp   +3 more
wiley   +1 more source