Articles with public access mandates - Markos A. KatsoulakisLearn more
Not available anywhere: 2
Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling
JE Sutton, W Guo, MA Katsoulakis, DG Vlachos
Nature chemistry 8 (4), 331, 2016
Mandates: US Department of Energy
Parametrizing coarse grained models for molecular systems at equilibrium
E Kalligiannaki, A Chazirakis, A Tsourtis, MA Katsoulakis, P Plecháč, ...
The European Physical Journal Special Topics 225, 1347-1372, 2016
Mandates: US National Science Foundation, US Department of Energy
Available somewhere: 38
Path-space information bounds for uncertainty quantification and sensitivity analysis of stochastic dynamics
P Dupuis, MA Katsoulakis, Y Pantazis, P Plechác
SIAM/ASA Journal on Uncertainty Quantification 4 (1), 80-111, 2016
Mandates: US National Science Foundation, US Department of Energy
The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems
E Kalligiannaki, V Harmandaris, MA Katsoulakis, P Plecháč
The Journal of chemical physics 143 (8), 2015
Mandates: US Department of Energy
Path-space variational inference for non-equilibrium coarse-grained systems
V Harmandaris, E Kalligiannaki, M Katsoulakis, P Plecháč
Journal of Computational Physics 314, 355-383, 2016
Mandates: US National Science Foundation, US Department of Energy
Explainable and trustworthy artificial intelligence for correctable modeling in chemical sciences
J Feng, JL Lansford, MA Katsoulakis, DG Vlachos
Science advances 6 (42), eabc3204, 2020
Mandates: US National Science Foundation, US Department of Energy, US Department of …
(f, Gamma)-Divergences: Interpolating between f-Divergences and Integral Probability Metrics
J Birrell, P Dupuis, MA Katsoulakis, Y Pantazis, L Rey-Bellet
Journal of Machine Learning Research 23 (39), 1-70, 2022
Mandates: US National Science Foundation, US Department of Defense
Variational representations and neural network estimation of Rényi divergences
J Birrell, P Dupuis, MA Katsoulakis, L Rey-Bellet, J Wang
SIAM Journal on Mathematics of Data Science 3 (4), 1093-1116, 2021
Mandates: US National Science Foundation, US Department of Defense
Scalable information inequalities for uncertainty quantification
MA Katsoulakis, L Rey-Bellet, J Wang
Journal of Computational Physics 336, 513-545, 2017
Mandates: US National Science Foundation, US Department of Defense
Ginns: Graph-informed neural networks for multiscale physics
EJ Hall, S Taverniers, MA Katsoulakis, DM Tartakovsky
Journal of Computational Physics 433, 110192, 2021
Mandates: US National Science Foundation, US Department of Defense
Sensitivity analysis for rare events based on Rényi divergence
P Dupuis, MA Katsoulakis, Y Pantazis, L Rey-Bellet
The Annals of Applied Probability 30 (4), 1507-1533, 2020
Mandates: US National Science Foundation, US Department of Defense
How biased is your model? Concentration inequalities, information and model bias
K Gourgoulias, MA Katsoulakis, L Rey-Bellet, J Wang
IEEE Transactions on Information Theory 66 (5), 3079-3097, 2020
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Parametric sensitivity analysis for stochastic molecular systems using information theoretic metrics
A Tsourtis, Y Pantazis, MA Katsoulakis, V Harmandaris
The Journal of chemical physics 143 (1), 2015
Mandates: US Department of Energy
Cumulant gan
Y Pantazis, D Paul, M Fasoulakis, Y Stylianou, MA Katsoulakis
IEEE Transactions on Neural Networks and Learning Systems 34 (11), 9439-9450, 2022
Mandates: US National Science Foundation, US Department of Defense, European Commission
Optimizing variational representations of divergences and accelerating their statistical estimation
J Birrell, MA Katsoulakis, Y Pantazis
IEEE Transactions on Information Theory 68 (7), 4553-4572, 2022
Mandates: US National Science Foundation, US Department of Defense
Causality and Bayesian Network PDEs for multiscale representations of porous media
K Um, EJ Hall, MA Katsoulakis, DM Tartakovsky
Journal of Computational Physics 394, 658-678, 2019
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Efficient estimators for likelihood ratio sensitivity indices of complex stochastic dynamics
G Arampatzis, MA Katsoulakis, L Rey-Bellet
The Journal of Chemical Physics 144 (10), 2016
Mandates: US National Science Foundation, US Department of Energy
Accelerated sensitivity analysis in high-dimensional stochastic reaction networks
G Arampatzis, MA Katsoulakis, Y Pantazis
PloS one 10 (7), e0130825, 2015
Mandates: US Department of Energy
Data-driven, variational model reduction of high-dimensional reaction networks
MA Katsoulakis, P Vilanova
Journal of Computational Physics 401, 108997, 2020
Mandates: US National Science Foundation, US Department of Defense
Uncertainty quantification for generalized Langevin dynamics
EJ Hall, MA Katsoulakis, L Rey-Bellet
The Journal of chemical physics 145 (22), 2016
Mandates: US National Science Foundation, US Department of Energy
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