doi:10.3233/DS-240063 (references)

References for: doi:10.3233/DS-240063

Full identifier: https://doi.org/10.3233/DS-240063

Nanopublication	Part	Subject	Predicate	Object	Published By	Published On
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its assertion http://www.nanopub.org/nschema#hasAssertion assertion	doi:10.3233/DS-240063	http://www.w3.org/1999/02/22-rdf-syntax-ns#type type	http://purl.org/spar/fabio/ResearchPaper ResearchPaper	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its assertion http://www.nanopub.org/nschema#hasAssertion assertion	doi:10.3233/DS-240063	http://purl.org/dc/terms/date date	2024	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its assertion http://www.nanopub.org/nschema#hasAssertion assertion	doi:10.3233/DS-240063	http://purl.org/dc/terms/title title	Estimating Reaction Barriers with Deep Reinforcement Learning	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its assertion http://www.nanopub.org/nschema#hasAssertion assertion	doi:10.3233/DS-240063	http://purl.org/dc/terms/abstract abstract	Stable states in complex systems correspond to local minima on the associated potential energy surface. Transitions between these local minima govern the dynamics of such systems. Precisely determining the transition pathways in complex and high-dimensional systems is challenging because these transitions are rare events, and isolating the relevant species in experiments is difficult. Most of the time, the system remains near a local minimum, with rare, large fluctuations leading to transitions between minima. The probability of such transitions decreases exponentially with the height of the energy barrier, making the system's dynamics highly sensitive to the calculated energy barriers. This work aims to formulate the problem of finding the minimum energy barrier between two stable states in the system's state space as a cost-minimization problem. It is proposed to solve this problem using reinforcement learning algorithms. The exploratory nature of reinforcement learning agents enables efficient sampling and determination of the minimum energy barrier for transitions.	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its assertion http://www.nanopub.org/nschema#hasAssertion assertion	doi:10.3233/DS-240063	http://purl.org/dc/terms/hasPart hasPart	https://w3id.org/kpxl/ios/ds/np/RAZmAIr2d5... RAZmAIr2d5	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its assertion http://www.nanopub.org/nschema#hasAssertion assertion	doi:10.3233/DS-240063	http://purl.org/dc/terms/isPartOf isPartOf	http://id.crossref.org/issn/2451-8492 2451-8492	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its pubinfo http://www.nanopub.org/nschema#hasPublicationInfo pubinfo	https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	http://purl.org/nanopub/x/introduces introduces	doi:10.3233/DS-240063	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	links a nanopublication to its pubinfo http://www.nanopub.org/nschema#hasPublicationInfo pubinfo	https://w3id.org/kpxl/ios/ds/np/RA9Vd4kQm9... RA9Vd4kQm9	http://purl.org/dc/terms/isPartOf isPartOf	doi:10.3233/DS-240063	Tobias Kuhn	2024-10-04T09:40:38.275Z
https://w3id.org/kpxl/ios/ds/np/RAZmAIr2d5... RAZmAIr2d5	links a nanopublication to its provenance http://www.nanopub.org/nschema#hasProvenance provenance	doi:10.3233/DS-240063	http://www.w3.org/1999/02/22-rdf-syntax-ns#type type	http://purl.org/spar/fabio/ScholarlyWork ScholarlyWork	Tobias Kuhn	2024-10-04T09:20:40.120Z
https://w3id.org/kpxl/ios/ds/np/RAZmAIr2d5... RAZmAIr2d5	links a nanopublication to its pubinfo http://www.nanopub.org/nschema#hasPublicationInfo pubinfo	https://w3id.org/kpxl/ios/ds/np/RAZmAIr2d5... RAZmAIr2d5	http://purl.org/dc/terms/isPartOf isPartOf	doi:10.3233/DS-240063	Tobias Kuhn	2024-10-04T09:20:40.120Z
https://w3id.org/kpxl/ios/ds/np/RAZmAIr2d5... RAZmAIr2d5	links a nanopublication to its provenance http://www.nanopub.org/nschema#hasProvenance provenance	https://w3id.org/kpxl/ios/ds/np/RAZmAIr2d5...#research-activity research-activity	http://purl.org/dc/terms/description description	doi:10.3233/DS-240063	Tobias Kuhn	2024-10-04T09:20:40.120Z