Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Speckhard, Daniel"'
Autor:
Speckhard, Daniel T., Bechtel, Tim, Ghiringhelli, Luca M., Kuban, Martin, Rigamonti, Santiago, Draxl, Claudia
Big data has ushered in a new wave of predictive power using machine learning models. In this work, we assess what {\it big} means in the context of typical materials-science machine-learning problems. This concerns not only data volume, but also dat
Externí odkaz:
http://arxiv.org/abs/2405.11404
Graph-based neural networks and, specifically, message-passing neural networks (MPNNs) have shown great potential in predicting physical properties of solids. In this work, we train an MPNN to first classify materials through density functional theor
Externí odkaz:
http://arxiv.org/abs/2309.06348
Autor:
Schintke, Florian, De Mecquenem, Ninon, Frantz, David, Guarino, Vanessa Emanuela, Hilbrich, Marcus, Lehmann, Fabian, Sattler, Rebecca, Sparka, Jan Arne, Speckhard, Daniel, Stolte, Hermann, Vu, Anh Duc, Leser, Ulf
Porting a scientific data analysis workflow (DAW) to a cluster infrastructure, a new software stack, or even only a new dataset with some notably different properties is often challenging. Despite the structured definition of the steps (tasks) and th
Externí odkaz:
http://arxiv.org/abs/2305.08409
Autor:
Speckhard, Daniel T., Carbogno, Christian, Ghiringhelli, Luca, Lubeck, Sven, Scheffler, Matthias, Draxl, Claudia
The numerical precision of density-functional-theory (DFT) calculations depends on a variety of computational parameters, one of the most critical being the basis-set size. The ultimate precision is reached with an infinitely large basis set, i.e., i
Externí odkaz:
http://arxiv.org/abs/2303.14760
Autor:
Speckhard, Daniel T., Misiunas, Karolis, Perel, Sagi, Zhu, Tenghui, Carlile, Simon, Slaney, Malcolm
Mobile and edge computing devices for always-on classification tasks require energy-efficient neural network architectures. In this paper we present several changes to neural architecture searches (NAS) that improve the chance of success in practical
Externí odkaz:
http://arxiv.org/abs/2202.05397
Autor:
Schintke, Florian, Belhajjame, Khalid, De Mecquenem, Ninon, Frantz, David, Guarino, Vanessa Emanuela, Hilbrich, Marcus, Lehmann, Fabian, Missier, Paolo, Sattler, Rebecca, Sparka, Jan Arne, Speckhard, Daniel T., Stolte, Hermann, Vu, Anh Duc, Leser, Ulf
Publikováno v:
In Future Generation Computer Systems August 2024 157:82-97
Autor:
Andersen, Casper W., Armiento, Rickard, Blokhin, Evgeny, Conduit, Gareth J., Dwaraknath, Shyam, Evans, Matthew L., Fekete, Ádám, Gopakumar, Abhijith, Gražulis, Saulius, Merkys, Andrius, Mohamed, Fawzi, Oses, Corey, Pizzi, Giovanni, Rignanese, Gian-Marco, Scheidgen, Markus, Talirz, Leopold, Toher, Cormac, Winston, Donald, Aversa, Rossella, Choudhary, Kamal, Colinet, Pauline, Curtarolo, Stefano, Di Stefano, Davide, Draxl, Claudia, Er, Suleyman, Esters, Marco, Fornari, Marco, Giantomassi, Matteo, Govoni, Marco, Hautier, Geoffroy, Hegde, Vinay, Horton, Matthew K., Huck, Patrick, Huhs, Georg, Hummelshøj, Jens, Kariryaa, Ankit, Kozinsky, Boris, Kumbhar, Snehal, Liu, Mohan, Marzari, Nicola, Morris, Andrew J., Mostofi, Arash, Persson, Kristin A., Petretto, Guido, Purcell, Thomas, Ricci, Francesco, Rose, Frisco, Scheffler, Matthias, Speckhard, Daniel, Uhrin, Martin, Vaitkus, Antanas, Villars, Pierre, Waroquiers, David, Wolverton, Chris, Wu, Michael, Yang, Xiaoyu
Publikováno v:
Sci Data 8, 217 (2021)
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specificat
Externí odkaz:
http://arxiv.org/abs/2103.02068
Autor:
Speckhard, Daniel T.1 (AUTHOR) speckhard@fhi.mpg.de, Misiunas, Karolis2 (AUTHOR), Perel, Sagi2 (AUTHOR), Zhu, Tenghui2 (AUTHOR), Carlile, Simon1 (AUTHOR), Slaney, Malcolm2 (AUTHOR)
Publikováno v:
Neural Computing & Applications. Jun2023, Vol. 35 Issue 16, p12133-12144. 12p.
Autor:
Speckhard, Daniel
Publikováno v:
Time.com. 2/11/2016, p1-1. 1p.
Autor:
GEDAN, BARRY S., MARGOLIS, KENNETH A., HINDHAUGH, ROB, BARTEN, HARVEY H., BAUR, GENE, HUANG, MARGARET L., BRAVO, ELLEN, SPECKHARD, DANIEL
Publikováno v:
New York Times. 8/4/2016, Vol. 165 Issue 57314, pA22-A22. 1/3p.