Autoregressive neural-network wavefunctions for ab initio quantum chemistry

Nature Machine Intelligence Springer Nature 4:4 (2022) 351-358

Authors:

Thomas Barrett, Aleksei Malyshev, Ai Lvovsky

Abstract:

In recent years, neural-network quantum states have emerged as powerful tools for the study of quantum many-body systems. Electronic structure calculations are one such canonical many-body problem that have attracted sustained research efforts spanning multiple decades, whilst only recently being attempted with neural-network quantum states. However, the complex non-local interactions and high sample complexity are substantial challenges that call for bespoke solutions. Here, we parameterize the electronic wavefunction with an autoregressive neural network that permits highly efficient and scalable sampling, whilst also embedding physical priors reflecting the structure of molecular systems without sacrificing expressibility. This allows us to perform electronic structure calculations on molecules with up to 30 spin orbitals—at least an order of magnitude more Slater determinants than previous applications of conventional neural-network quantum states—and we find that our ansatz can outperform the de facto gold-standard coupled-cluster methods even in the presence of strong quantum correlations. With a highly expressive neural network for which sampling is no longer a computational bottleneck, we conclude that the barriers to further scaling are not associated with the wavefunction ansatz itself, but rather are inherent to any variational Monte Carlo approach.

Super-resolution linear optical imaging in the far field

Physical Review Letters American Physical Society 127 (2021) 253602

Abstract:

The resolution of optical imaging devices is ultimately limited by the diffraction of light. To circumvent this limit, modern superresolution microscopy techniques employ active interaction with the object by exploiting its optical nonlinearities, nonclassical properties of the illumination beam, or near field probing. Thus, they are not applicable whenever such interaction is not possible, for example, in astronomy or noninvasive biological imaging. Far field, linear optical superresolution techniques based on passive analysis of light coming from the object would cover these gaps. In this Letter, we present the first proof-of-principle demonstration of such a technique for 2D imaging. It works by accessing information about spatial correlations of the image optical field and, hence, about the object itself via measuring projections onto Hermite-Gaussian transverse spatial modes. With a basis of 21 spatial modes in both transverse dimensions, we perform two-dimensional imaging with twofold resolution enhancement beyond the diffraction limit.

Alpha Buckets in Longitudinal Phase Space: a Bifurcation Analysis

ArXiv 2104.08056 (2021)

Authors:

Jernej Frank, Tom Mertens, Markus Ries

Entangled resource for interfacing single- and dual-rail optical qubits

Quantum Verein zur Forderung des Open Access Publizierens in den Quantenwissenschaften 5 (2021) 416

Authors:

David Drahi, Demid V Sychev, Khurram K Pirov, Ekaterina A Sazhina, Valeriy A Novikov, Ian A Walmsley, Alexander Lvovsky

Abstract:

Today's most widely used method of encoding quantum information in optical qubits is the dual-rail basis, often carried out through the polarisation of a single photon. On the other hand, many stationary carriers of quantum information – such as atoms – couple to light via the single-rail encoding in which the qubit is encoded in the number of photons. As such, interconversion between the two encodings is paramount in order to achieve cohesive quantum networks. In this paper, we demonstrate this by generating an entangled resource between the two encodings and using it to teleport a dual-rail qubit onto its single-rail counterpart. This work completes the set of tools necessary for the interconversion between the three primary encodings of the qubit in the optical field: single-rail, dual-rail and continuous-variable.

Backpropagation through nonlinear units for the all-optical training of neural networks

Photonics Research Optical Society of America 9:3 (2021) B71-B80

Authors:

Xianxin Guo, Thomas D Barrett, Zhiming M Wang, Ai Lvovsky

Abstract:

We propose a practical scheme for end-to-end optical backpropagation in neural networks. Using saturable absorption for the nonlinear units, we find that the backward-propagating gradients required to train the network can be approximated in a surprisingly simple pump-probe scheme that requires only simple passive optical elements. Simulations show that, with readily obtainable optical depths, our approach can achieve equivalent performance to state-of-the-art computational networks on image classification benchmarks, even in deep networks with multiple sequential gradient approximation. With backpropagation through nonlinear units being an outstanding challenge to the field, this work provides a feasible path toward truly all-optical neural networks.