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Simon Verret

Publications and source records attributed to Simon Verret.

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Computing Green's functions and improving ground state energy estimation on quantum computers with Liouvillian recursion

We present a quantum-classical hybrid implementation of the Liouvillian recursion method to compute many-body Green's functions using a quantum computer. From an approximate ground state preparation circuit, this algorithm produces the local ($r=r'$) and inter-site ($r\neq r'$) Green's functions $G_{rr'}(\omega)$ by measuring observables generated recursively. We demonstrate the approach on a superconducting quantum processor for the open-boundary four-site Hubbard model. We then use the computed Green's functions as input to the Galitskii-Migdal formula to produce better ground state energy estimation than the expectation value of the Hamiltonian for the approximate circuit. Empirical results indicate exponential convergence in the number of iterations, yielding a computational complexity polynomial in the Green's-function accuracy, as measured with the Wasserstein distance. Our results also indicate significant robustness to noise and to inaccuracies of the ground state preparation, providing evidence that Liouvillian recursion is well adapted to the constraints of near-term quantum computing.

quant-ph

Minimal-Dissipation Learning for Energy-Based Models

We show that the bias of the approximate maximum-likelihood estimation (MLE) objective of a persistent chain energy-based model (EBM) is precisely equal to the thermodynamic excess work of an overdamped Langevin dynamical system. We then answer the question of whether such a model can be trained with minimal excess work, that is, energy dissipation, in a finite amount of time. We find that a Gaussian energy function with constant variance can be trained with minimal excess work by controlling only the learning rate. This proves that it is possible to train a persistent chain EBM in a finite amount of time with minimal dissipation and also provides a lower bound on the energy required for the computation. We refer to such a learning process that minimizes the excess work as minimal-dissipation learning. We then provide a generalization of the optimal learning rate schedule to general potentials and find that it induces a natural gradient flow on the MLE objective, a well-known second-order optimization method.

cond-mat.stat-mech

Prediction of Large Magnetic Moment Materials With Graph Neural Networks and Random Forests

Magnetic materials are crucial components of many technologies that could drive the ecological transition, including electric motors, wind turbine generators and magnetic refrigeration systems. Discovering materials with large magnetic moments is therefore an increasing priority. Here, using state-of-the-art machine learning methods, we scan the Inorganic Crystal Structure Database (ICSD) of hundreds of thousands of existing materials to find those that are ferromagnetic and have large magnetic moments. Crystal graph convolutional neural networks (CGCNN), materials graph network (MEGNet) and random forests are trained on the Materials Project database that contains the results of high-throughput DFT predictions. For random forests, we use a stochastic method to select nearly one hundred relevant descriptors based on chemical composition and crystal structure. This gives results that are comparable to those of neural networks. The comparison between these different machine learning approaches gives an estimate of the errors for our predictions on the ICSD database. Validating our final predictions by comparisons with available experimental data, we found 15 materials that are likely to have large magnetic moments and have not been yet studied experimentally.

cond-mat.mtrl-sci

Fermi surface transformation at the pseudogap critical point of a cuprate superconductor

The nature of the pseudogap phase remains a major barrier to our understanding of cuprate high-temperature superconductivity. Whether or not this metallic phase is defined by any of the reported broken symmetries, the topology of its Fermi surface remains a fundamental open question. Here we use angle-dependent magnetoresistance (ADMR) to measure the Fermi surface of the cuprate Nd-LSCO. Above the critical doping $p^*$ -- outside of the pseudogap phase -- we fit the ADMR data and extract a Fermi surface geometry that is in quantitative agreement with angle-resolved photoemission. Below $p^*$ -- within the pseudogap phase -- the ADMR is qualitatively different, revealing a clear transformation of the Fermi surface. Changes in the quasiparticle lifetime across $p^*$ are ruled out as the cause of this transformation. Instead we find that our data are most consistent with a reconstruction of the Fermi surface by a $Q=(\pi, \pi)$ wavevector.

cond-mat.str-el