Adapting reservoir computing to solve the Schrödinger equation.
Chaos
; 32(6): 063111, 2022 Jun.
Article
in En
| MEDLINE
| ID: mdl-35778135
ABSTRACT
Reservoir computing is a machine learning algorithm that excels at predicting the evolution of time series, in particular, dynamical systems. Moreover, it has also shown superb performance at solving partial differential equations. In this work, we adapt this methodology to integrate the time-dependent Schrödinger equation, propagating an initial wavefunction in time. Since such wavefunctions are complex-valued high-dimensional arrays, the reservoir computing formalism needs to be extended to cope with complex-valued data. Furthermore, we propose a multi-step learning strategy that avoids overfitting the training data. We illustrate the performance of our adapted reservoir computing method by application to four standard problems in molecular vibrational dynamics.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Chaos
Journal subject:
CIENCIA
Year:
2022
Document type:
Article
Affiliation country:
Spain