Learning Energy-Based Representations of Quantum Many-Body States

Efficient representation of quantum many-body states on classical computers is a problem of enormous practical interest. An ideal representation of a quantum state combines a succinct characterization informed by the system's structure and symmetries, along with the ability to predict the physical observables of interest. A number of machine learning approaches have been recently used to construct such classical representations [1-6] which enable predictions of observables [7] and account for physical symmetries [8]. However, the structure of a quantum state gets typically lost unless a specialized ansatz is employed based on prior knowledge of the system [9-12]. Moreover, most such approaches give no information about what states are easier to learn in comparison to others. Here, we propose a new generative energy-based representation of quantum many-body states derived from Gibbs distributions used for modeling the thermal states of classical spin systems. Based on the prior information on a family of quantum states, the energy function can be specified by a small number of parameters using an explicit low-degree polynomial or a generic parametric family such as neural nets, and can naturally include the known symmetries of the system. Our results show that such a representation can be efficiently learned from data using exact algorithms in a form that enables the prediction of expectation values of physical observables. Importantly, the structure of the learned energy function provides a natural explanation for the hardness of learning for a given class of quantum states.

High-quality Thermal Gibbs Sampling with Quantum Annealing Hardware

Quantum Annealing (QA) was originally intended for accelerating the solution of combinatorial optimization tasks that have natural encodings as Ising models. However, recent experiments on QA hardware platforms have demonstrated that, in the operating regime corresponding to weak interactions, the QA hardware behaves like a noisy Gibbs sampler at a hardware-specific effective temperature. This work builds on those insights and identifies a class of small hardware-native Ising models that are robust to noise effects and proposes a novel procedure for executing these models on QA hardware to maximize Gibbs sampling performance. Experimental results indicate that the proposed protocol results in high-quality Gibbs samples from a hardware-specific effective temperature and that the QA annealing time can be used to adjust the effective temperature of the output distribution. The procedure proposed in this work provides a new approach to using QA hardware for Ising model sampling presenting potential new opportunities for applications in machine learning and physics simulation.

Single-Qubit Fidelity Assessment of Quantum Annealing Hardware

As a wide variety of quantum computing platforms become available, methods for assessing and comparing the performance of these devices are of increasing interest and importance. Inspired by the success of single-qubit error rate computations for tracking the progress of gate-based quantum computers, this work proposes a Quantum Annealing Single-qubit Assessment (QASA) protocol for quantifying the performance of individual qubits in quantum annealing computers. The proposed protocol scales to large quantum annealers with thousands of qubits and provides unique insights into the distribution of qubit properties within a particular hardware device. The efficacy of the QASA protocol is demonstrated by analyzing the properties of a D-Wave 2000Q system, revealing unanticipated correlations in the qubit performance of that device. A study repeating the QASA protocol at different annealing times highlights how the method can be utilized to understand the impact of annealing parameters on qubit performance. Overall, the proposed QASA protocol provides a useful tool for assessing the performance of current and emerging quantum annealing devices.

Exponential Reduction in Sample Complexity with Learning of Ising Model Dynamics

The usual setting for learning the structure and parameters of a graphical model assumes the availability of independent samples produced from the corresponding multivariate probability distribution. However, for many models the mixing time of the respective Markov chain can be very large and i.i.d. samples may not be obtained. We study the problem of reconstructing binary graphical models from correlated samples produced by a dynamical process, which is natural in many applications. We analyze the sample complexity of two estimators that are based on the interaction screening objective and the conditional likelihood loss. We observe that for samples coming from a dynamical process far from equilibrium, the sample complexity reduces exponentially compared to a dynamical process that mixes quickly.

Learning Continuous Exponential Families Beyond Gaussian

We address the problem of learning of continuous exponential family distributions with unbounded support. While a lot of progress has been made on learning of Gaussian graphical models, we are still lacking scalable algorithms for reconstructing general continuous exponential families modeling higher-order moments of the data beyond the mean and the covariance. Here, we introduce a computationally efficient method for learning continuous graphical models based on the Interaction Screening approach. Through a series of numerical experiments, we show that our estimator maintains similar requirements in terms of accuracy and sample complexity compared to alternative approaches such as maximization of conditional likelihood, while considerably improving upon the algorithm's run-time.

Programmable Quantum Annealers as Noisy Gibbs Samplers

Drawing independent samples from high-dimensional probability distributions represents the major computational bottleneck for modern algorithms, including powerful machine learning frameworks such as deep learning. The quest for discovering larger families of distributions for which sampling can be efficiently realized has inspired an exploration beyond established computing methods and turning to novel physical devices that leverage the principles of quantum computation. Quantum annealing embodies a promising computational paradigm that is intimately related to the complexity of energy landscapes in Gibbs distributions, which relate the probabilities of system states to the energies of these states. Here, we study the sampling properties of physical realizations of quantum annealers which are implemented through programmable lattices of superconducting flux qubits. Comprehensive statistical analysis of the data produced by these quantum machines shows that quantum annealers behave as samplers that generate independent configurations from low-temperature noisy Gibbs distributions. We show that the structure of the output distribution probes the intrinsic physical properties of the quantum device such as effective temperature of individual qubits and magnitude of local qubit noise, which result in a non-linear response function and spurious interactions that are absent in the hardware implementation. We anticipate that our methodology will find widespread use in characterization of future generations of quantum annealers and other emerging analog computing devices.

Learning of Discrete Graphical Models with Neural Networks

Graphical models are widely used in science to represent joint probability distributions with an underlying conditional dependence structure. The inverse problem of learning a discrete graphical model given i.i.d samples from its joint distribution can be solved with near-optimal sample complexity using a convex optimization method known as Generalized Regularized Interaction Screening Estimator (GRISE). But the computational cost of GRISE becomes prohibitive when the energy function of the true graphical model has higher order terms. We introduce NN-GRISE, a neural net based algorithm for graphical model learning, to tackle this limitation of GRISE. We use neural nets as function approximators in an interaction screening objective function. The optimization of this objective then produces a neural-net representation for the conditionals of the graphical model. NN-GRISE algorithm is seen to be a better alternative to GRISE when the energy function of the true model has a high order with a high degree of symmetry. In these cases, NN-GRISE is able to find the correct parsimonious representation for the conditionals without being fed any prior information about the true model. NN-GRISE can also be used to learn the underlying structure of the true model with some simple modifications to its training procedure. In addition, we also show a variant of NN-GRISE that can be used to learn a neural net representation for the full energy function of the true model.

Real-time Anomaly Detection and Classification in Streaming PMU Data

Ensuring secure and reliable operations of the power grid is a primary concern of system operators. Phasor measurement units (PMUs) are rapidly being deployed in the grid to provide fast-sampled operational data that should enable quicker decision-making. This work presents a general interpretable framework for analyzing real-time PMU data, and thus enabling grid operators to understand the current state and to identify anomalies on the fly. Applying statistical learning tools on the streaming data, we first learn an effective dynamical model to describe the current behavior of the system. Next, we use the probabilistic predictions of our learned model to define in a principled way an efficient anomaly detection tool. Finally, the last module of our framework produces on-the-fly classification of the detected anomalies into common occurrence classes using features that grid operators are familiar with. We demonstrate the efficacy of our interpretable approach through extensive numerical experiments on real PMU data collected from a transmission operator in the USA.

Efficient Learning of Discrete Graphical Models

Graphical models are useful tools for describing structured high-dimensional probability distributions. Development of efficient algorithms for learning graphical models with least amount of data remains an active research topic. Reconstruction of graphical models that describe the statistics of discrete variables is a particularly challenging problem, for which the maximum likelihood approach is intractable. In this work, we provide the first sample-efficient method based on the Interaction Screening framework that allows one to provably learn fully general discrete factor models with node-specific discrete alphabets and multi-body interactions, specified in an arbitrary basis. We identify a single condition related to model parametrization that leads to rigorous guarantees on the recovery of model structure and parameters in any error norm, and is readily verifiable for a large class of models. Importantly, our bounds make explicit distinction between parameters that are proper to the model and priors used as an input to the algorithm. Finally, we show that the Interaction Screening framework includes all models previously considered in the literature as special cases, and for which our analysis shows a systematic improvement in sample complexity.

Assumption-Free and Near-Optimal Sparse Inverse Covariance Selection

We study the problem of reconstructing the graph of a sparse Gaussian Graphical Model from independent observations, which is equivalent to finding non-zero elements of an inverse covariance matrix. For a model of size $p$ and maximum degree $d$, the information theoretic lower bound requires that the number of samples needed for recovering the graph perfectly is at least $d \log p/\kappa^2$, where $\kappa$ is the minimum normalized non-zero entry of the inverse covariance matrix. Existing algorithms require additional assumptions to guarantee perfect graph reconstruction, and consequently, their sample complexity is dependent on parameters that are not present in the lower bound. We show that even for very simple examples where the precision matrix is close to singularity, there is a huge gap between the samples required by existing methods and the lower bound. We propose an estimator, called SLICE , that consists of a cardinality constrained least-squares regression followed by a thresholding procedure. We show that SLICE attains a sample complexity of $\frac{64}{\kappa^4}d \log p$, which differs from the lower bound by only a factor proportional to $1/\kappa^2$. To the best of our knowledge, this is the first result in the literature that provides a completely assumption-free reconstruction guarantee and shows the existence of a polynomial-time algorithm whose sample complexity depends only on the parameters present in the information theoretic lower bound.