Masoud Mohseni

Shaila Niazi, Navid Anjum Aadit, Masoud Mohseni et al.

The slowing down of Moore's law has driven the development of unconventional computing paradigms, such as specialized Ising machines tailored to solve combinatorial optimization problems. In this paper, we show a new application domain for probabilistic bit (p-bit) based Ising machines by training deep generative AI models with them. Using sparse, asynchronous, and massively parallel Ising machines we train deep Boltzmann networks in a hybrid probabilistic-classical computing setup. We use the full MNIST and Fashion MNIST (FMNIST) dataset without any downsampling and a reduced version of CIFAR-10 dataset in hardware-aware network topologies implemented in moderately sized Field Programmable Gate Arrays (FPGA). For MNIST, our machine using only 4,264 nodes (p-bits) and about 30,000 parameters achieves the same classification accuracy (90%) as an optimized software-based restricted Boltzmann Machine (RBM) with approximately 3.25 million parameters. Similar results follow for FMNIST and CIFAR-10. Additionally, the sparse deep Boltzmann network can generate new handwritten digits and fashion products, a task the 3.25 million parameter RBM fails at despite achieving the same accuracy. Our hybrid computer takes a measured 50 to 64 billion probabilistic flips per second, which is at least an order of magnitude faster than superficially similar Graphics and Tensor Processing Unit (GPU/TPU) based implementations. The massively parallel architecture can comfortably perform the contrastive divergence algorithm (CD-n) with up to n = 10 million sweeps per update, beyond the capabilities of existing software implementations. These results demonstrate the potential of using Ising machines for traditionally hard-to-train deep generative Boltzmann networks, with further possible improvement in nanodevice-based realizations.

Haesol Im, Fabian Böhm, Giacomo Pedretti et al.

The Boolean satisfiability (SAT) problem is a computationally challenging decision problem central to many industrial applications. For SAT problems in cryptanalysis, circuit design, and telecommunication, solutions can often be found more efficiently by representing them with a combination of exclusive OR (XOR) and conjunctive normal form (CNF) clauses. We propose a hardware accelerator architecture that natively embeds and solves such hybrid XOR--CNF problems using in-memory computing hardware. To achieve this, we introduce an algorithm and demonstrate, both experimentally and through simulations, how it can be efficiently implemented with memristor crossbar arrays. Compared to the conventional approaches that translate XOR--CNF problems to pure CNF problems, our simulations show that the accelerator improves computation speed, energy efficiency, and chip area utilization of in-memory accelerators by $\sim$10$\times$ for a set of hard cryptographic benchmarking problems. Moreover, the accelerator achieves a $\sim$10$\times$ speedup and a $\sim$1000$\times$ gain in energy efficiency over state-of-the-art SAT solvers running on CPUs.

Haesol Im, Chan-Woo Yang, Moslem Noori et al.

Research into the development of special-purpose computing architectures designed to solve quadratic unconstrained binary optimization (QUBO) problems has flourished in recent years. It has been demonstrated in the literature that such special-purpose solvers can outperform traditional complementary metal--oxide--semiconductor architectures by orders of magnitude with respect to timing metrics on synthetic problems. However, they face challenges with constrained problems such as the quadratic assignment problem (QAP), where mapping to binary formulations such as QUBO introduces overhead and limits parallelism. In-memory computing (IMC) devices, such as memristor-based analog Ising machines, offer significant speed-ups and efficiency gains over traditional CPU-based solvers, particularly for solving combinatorial optimization problems. In this work, we present a novel hardware-aware QAP optimization framework designed for IMC hardware. By co-designing the local search heuristic with the underlying hardware, we exploit the intrinsic massive parallelism that allows for computing of full neighbourhoods simultaneously to make update decisions. We ensure binary solutions remain feasible by selecting local moves that lead to neighbouring feasible solutions, leveraging feasible-space search heuristics and the underlying structure of a given problem. Our approach is compatible with both digital computers and analog hardware. We demonstrate its effectiveness in CPU implementations by comparing it with state-of-the-art heuristics for solving the QAP.

Michael Broughton, Guillaume Verdon, Trevor McCourt et al.

We introduce TensorFlow Quantum (TFQ), an open source library for the rapid prototyping of hybrid quantum-classical models for classical or quantum data. This framework offers high-level abstractions for the design and training of both discriminative and generative quantum models under TensorFlow and supports high-performance quantum circuit simulators. We provide an overview of the software architecture and building blocks through several examples and review the theory of hybrid quantum-classical neural networks. We illustrate TFQ functionalities via several basic applications including supervised learning for quantum classification, quantum control, simulating noisy quantum circuits, and quantum approximate optimization. Moreover, we demonstrate how one can apply TFQ to tackle advanced quantum learning tasks including meta-learning, layerwise learning, Hamiltonian learning, sampling thermal states, variational quantum eigensolvers, classification of quantum phase transitions, generative adversarial networks, and reinforcement learning. We hope this framework provides the necessary tools for the quantum computing and machine learning research communities to explore models of both natural and artificial quantum systems, and ultimately discover new quantum algorithms which could potentially yield a quantum advantage.

Masoud Mohseni, Artur Scherer, K. Grace Johnson et al.

In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of physical qubits and proof-of-principle error-correction on a single logical qubit. Nevertheless, despite significant progress and excitement, the path toward a full-stack scalable technology is largely unknown. There are significant outstanding quantum hardware, fabrication, software architecture, and algorithmic challenges that are either unresolved or overlooked. These issues could seriously undermine the arrival of utility-scale quantum computers for the foreseeable future. Here, we provide a comprehensive review of these scaling challenges. We show how the road to scaling could be paved by adopting existing semiconductor technology to build much higher-quality qubits, employing system engineering approaches, and performing distributed quantum computation within heterogeneous high-performance computing infrastructures. These opportunities for research and development could unlock certain promising applications, in particular, efficient quantum simulation/learning of quantum data generated by natural or engineered quantum systems. To estimate the true cost of such promises, we provide a detailed resource and sensitivity analysis for classically hard quantum chemistry calculations on surface-code error-corrected quantum computers given current, target, and desired hardware specifications based on superconducting qubits, accounting for a realistic distribution of errors. Furthermore, we argue that, to tackle industry-scale classical optimization and machine learning problems in a cost-effective manner, heterogeneous quantum-probabilistic computing with custom-designed accelerators should be considered as a complementary path toward scalability.

Moslem Noori, Elisabetta Valiante, Thomas Van Vaerenbergh et al.

A key trait of stochastic optimizers is that multiple runs of the same optimizer in attempting to solve the same problem can produce different results. As a result, their performance is evaluated over several repeats, or runs, on the problem. However, the accuracy of the estimated performance metrics depends on the number of runs and should be studied using statistical tools. We present a statistical analysis of the common metrics, and develop guidelines for experiment design to measure the optimizer's performance using these metrics to a high level of confidence and accuracy. To this end, we first discuss the confidence interval of the metrics and how they are related to the number of runs of an experiment. We then derive a lower bound on the number of repeats in order to guarantee achieving a given accuracy in the metrics. Using this bound, we propose an algorithm to adaptively adjust the number of repeats needed to ensure the accuracy of the evaluated metric. Our simulation results demonstrate the utility of our analysis and how it allows us to conduct reliable benchmarking as well as hyperparameter tuning and prevent us from drawing premature conclusions regarding the performance of stochastic optimizers.

Dmitrii Dobrynin, Masoud Mohseni, John Paul Strachan

Optimizing or sampling complex cost functions of combinatorial optimization problems is a longstanding challenge across disciplines and applications. When employing family of conventional algorithms based on Markov Chain Monte Carlo (MCMC) such as simulated annealing or parallel tempering, one assumes homogeneous (equilibrium) temperature profiles across input. This instance independent approach was shown to be ineffective for the hardest benchmarks near a computational phase transition when the so-called overlap-gap-property holds. In these regimes conventional MCMC struggles to unfreeze rigid variables, escape suboptimal basins of attraction, and sample high-quality and diverse solutions. In order to mitigate these challenges, Nonequilibrium Nonlocal Monte Carlo (NMC) algorithms were proposed that leverage inhomogeneous temperature profiles thereby accelerating exploration of the configuration space without compromising its exploitation. Here, we employ deep reinforcement learning (RL) to train the nonlocal transition policies of NMC which were previously designed phenomenologically. We demonstrate that the resulting solver can be trained solely by observing energy changes of the configuration space exploration as RL rewards and the local minimum energy landscape geometry as RL states. We further show that the trained policies improve upon the standard MCMC-based and nonlocal simulated annealing on hard uniform random and scale-free random 4-SAT benchmarks in terms of residual energy, time-to-solution, and diversity of solutions metrics.

Mert Esencan, Tarun Advaith Kumar, Ata Akbari Asanjan et al.

Recent Large Language Models (LLMs) have demonstrated impressive capabilities at tasks that require human intelligence and are a significant step towards human-like artificial intelligence (AI). Yet the performance of LLMs at reasoning tasks have been subpar and the reasoning capability of LLMs is a matter of significant debate. While it has been shown that the choice of the prompting technique to the LLM can alter its performance on a multitude of tasks, including reasoning, the best performing techniques require human-made prompts with the knowledge of the tasks at hand. We introduce a framework for what we call Combinatorial Reasoning (CR), a fully-automated prompting method, where reasons are sampled from an LLM pipeline and mapped into a Quadratic Unconstrained Binary Optimization (QUBO) problem. The framework investigates whether QUBO solutions can be profitably used to select a useful subset of the reasons to construct a Chain-of-Thought style prompt. We explore the acceleration of CR with specialized solvers. We also investigate the performance of simpler zero-shot strategies such as linear majority rule or random selection of reasons. Our preliminary study indicates that coupling a combinatorial solver to generative AI pipelines is an interesting avenue for AI reasoning and elucidates design principles for future CR methods.

Hsin-Yuan Huang, Michael Broughton, Jordan Cotler et al.

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.

Masoud Mohseni, Daniel Eppens, Johan Strumpfer et al.

Optimizing highly complex cost/energy functions over discrete variables is at the heart of many open problems across different scientific disciplines and industries. A major obstacle is the emergence of many-body effects among certain subsets of variables in hard instances leading to critical slowing down or collective freezing for known stochastic local search strategies. An exponential computational effort is generally required to unfreeze such variables and explore other unseen regions of the configuration space. Here, we introduce a quantum-inspired family of nonlocal Nonequilibrium Monte Carlo (NMC) algorithms by developing an adaptive gradient-free strategy that can efficiently learn key instance-wise geometrical features of the cost function. That information is employed on-the-fly to construct spatially inhomogeneous thermal fluctuations for collectively unfreezing variables at various length scales, circumventing costly exploration versus exploitation trade-offs. We apply our algorithm to two of the most challenging combinatorial optimization problems: random k-satisfiability (k-SAT) near the computational phase transitions and Quadratic Assignment Problems (QAP). We observe significant speedup and robustness over both specialized deterministic solvers and generic stochastic solvers. In particular, for 90% of random 4-SAT instances we find solutions that are inaccessible for the best specialized deterministic algorithm known as Survey Propagation (SP) with an order of magnitude improvement in the quality of solutions for the hardest 10% instances. We also demonstrate two orders of magnitude improvement in time-to-solution over the state-of-the-art generic stochastic solver known as Adaptive Parallel Tempering (APT).

Hsin-Yuan Huang, Michael Broughton, Masoud Mohseni et al.

The use of quantum computing for machine learning is among the most exciting prospective applications of quantum technologies. However, machine learning tasks where data is provided can be considerably different than commonly studied computational tasks. In this work, we show that some problems that are classically hard to compute can be easily predicted by classical machines learning from data. Using rigorous prediction error bounds as a foundation, we develop a methodology for assessing potential quantum advantage in learning tasks. The bounds are tight asymptotically and empirically predictive for a wide range of learning models. These constructions explain numerical results showing that with the help of data, classical machine learning models can be competitive with quantum models even if they are tailored to quantum problems. We then propose a projected quantum model that provides a simple and rigorous quantum speed-up for a learning problem in the fault-tolerant regime. For near-term implementations, we demonstrate a significant prediction advantage over some classical models on engineered data sets designed to demonstrate a maximal quantum advantage in one of the largest numerical tests for gate-based quantum machine learning to date, up to 30 qubits.

Andrea Skolik, Jarrod R. McClean, Masoud Mohseni et al.

With the increased focus on quantum circuit learning for near-term applications on quantum devices, in conjunction with unique challenges presented by cost function landscapes of parametrized quantum circuits, strategies for effective training are becoming increasingly important. In order to ameliorate some of these challenges, we investigate a layerwise learning strategy for parametrized quantum circuits. The circuit depth is incrementally grown during optimization, and only subsets of parameters are updated in each training step. We show that when considering sampling noise, this strategy can help avoid the problem of barren plateaus of the error surface due to the low depth of circuits, low number of parameters trained in one step, and larger magnitude of gradients compared to training the full circuit. These properties make our algorithm preferable for execution on noisy intermediate-scale quantum devices. We demonstrate our approach on an image-classification task on handwritten digits, and show that layerwise learning attains an 8% lower generalization error on average in comparison to standard learning schemes for training quantum circuits of the same size. Additionally, the percentage of runs that reach lower test errors is up to 40% larger compared to training the full circuit, which is susceptible to creeping onto a plateau during training.

Gavin S. Hartnett, Masoud Mohseni

Spin-glass systems are universal models for representing many-body phenomena in statistical physics and computer science. High quality solutions of NP-hard combinatorial optimization problems can be encoded into low energy states of spin-glass systems. In general, evaluating the relevant physical and computational properties of such models is difficult due to critical slowing down near a phase transition. Ideally, one could use recent advances in deep learning for characterizing the low-energy properties of these complex systems. Unfortunately, many of the most promising machine learning approaches are only valid for distributions over continuous variables and thus cannot be directly applied to discrete spin-glass models. To this end, we develop a continuous probability density theory for spin-glass systems with arbitrary dimensions, interactions, and local fields. We show how our formulation geometrically encodes key physical and computational properties of the spin-glass in an instance-wise fashion without the need for quenched disorder averaging. We show that our approach is beyond the mean-field theory and identify a transition from a convex to non-convex energy landscape as the temperature is lowered past a critical temperature. We apply our formalism to a number of spin-glass models including the Sherrington-Kirkpatrick (SK) model, spins on random Erdős-Rényi graphs, and random restricted Boltzmann machines.

Gavin S. Hartnett, Masoud Mohseni

Spin-glasses are universal models that can capture complex behavior of many-body systems at the interface of statistical physics and computer science including discrete optimization, inference in graphical models, and automated reasoning. Computing the underlying structure and dynamics of such complex systems is extremely difficult due to the combinatorial explosion of their state space. Here, we develop deep generative continuous spin-glass distributions with normalizing flows to model correlations in generic discrete problems. We use a self-supervised learning paradigm by automatically generating the data from the spin-glass itself. We demonstrate that key physical and computational properties of the spin-glass phase can be successfully learned, including multi-modal steady-state distributions and topological structures among metastable states. Remarkably, we observe that the learning itself corresponds to a spin-glass phase transition within the layers of the trained normalizing flows. The inverse normalizing flows learns to perform reversible multi-scale coarse-graining operations which are very different from the typical irreversible renormalization group techniques.

Guillaume Verdon, Michael Broughton, Jarrod R. McClean et al.

Quantum Neural Networks (QNNs) are a promising variational learning paradigm with applications to near-term quantum processors, however they still face some significant challenges. One such challenge is finding good parameter initialization heuristics that ensure rapid and consistent convergence to local minima of the parameterized quantum circuit landscape. In this work, we train classical neural networks to assist in the quantum learning process, also know as meta-learning, to rapidly find approximate optima in the parameter landscape for several classes of quantum variational algorithms. Specifically, we train classical recurrent neural networks to find approximately optimal parameters within a small number of queries of the cost function for the Quantum Approximate Optimization Algorithm (QAOA) for MaxCut, QAOA for Sherrington-Kirkpatrick Ising model, and for a Variational Quantum Eigensolver for the Hubbard model. By initializing other optimizers at parameter values suggested by the classical neural network, we demonstrate a significant improvement in the total number of optimization iterations required to reach a given accuracy. We further demonstrate that the optimization strategies learned by the neural network generalize well across a range of problem instance sizes. This opens up the possibility of training on small, classically simulatable problem instances, in order to initialize larger, classically intractably simulatable problem instances on quantum devices, thereby significantly reducing the number of required quantum-classical optimization iterations.

James King, Masoud Mohseni, William Bernoudy et al.

Genetic algorithms, which mimic evolutionary processes to solve optimization problems, can be enhanced by using powerful semi-local search algorithms as mutation operators. Here, we introduce reverse quantum annealing, a class of quantum evolutions that can be used for performing families of quasi-local or quasi-nonlocal search starting from a classical state, as novel sources of mutations. Reverse annealing enables the development of genetic algorithms that use quantum fluctuation for mutations and classical mechanisms for the crossovers -- we refer to these as Quantum-Assisted Genetic Algorithms (QAGAs). We describe a QAGA and present experimental results using a D-Wave 2000Q quantum annealing processor. On a set of spin-glass inputs, standard (forward) quantum annealing finds good solutions very quickly but struggles to find global optima. In contrast, our QAGA proves effective at finding global optima for these inputs. This successful interplay of non-local classical and quantum fluctuations could provide a promising step toward practical applications of Noisy Intermediate-Scale Quantum (NISQ) devices for heuristic discrete optimization.

Hongxiang Chen, Leonard Wossnig, Simone Severini et al.

Quantum mechanics fundamentally forbids deterministic discrimination of quantum states and processes. However, the ability to optimally distinguish various classes of quantum data is an important primitive in quantum information science. In this work, we train near-term quantum circuits to classify data represented by non-orthogonal quantum probability distributions using the Adam stochastic optimization algorithm. This is achieved by iterative interactions of a classical device with a quantum processor to discover the parameters of an unknown non-unitary quantum circuit. This circuit learns to simulates the unknown structure of a generalized quantum measurement, or Positive-Operator-Value-Measure (POVM), that is required to optimally distinguish possible distributions of quantum inputs. Notably we use universal circuit topologies, with a theoretically motivated circuit design, which guarantees that our circuits can in principle learn to perform arbitrary input-output mappings. Our numerical simulations show that shallow quantum circuits could be trained to discriminate among various pure and mixed quantum states exhibiting a trade-off between minimizing erroneous and inconclusive outcomes with comparable performance to theoretically optimal POVMs. We train the circuit on different classes of quantum data and evaluate the generalization error on unseen mixed quantum states. This generalization power hence distinguishes our work from standard circuit optimization and provides an example of quantum machine learning for a task that has inherently no classical analogue.

Patrick Rebentrost, Masoud Mohseni, Seth Lloyd

Supervised machine learning is the classification of new data based on already classified training examples. In this work, we show that the support vector machine, an optimized binary classifier, can be implemented on a quantum computer, with complexity logarithmic in the size of the vectors and the number of training examples. In cases when classical sampling algorithms require polynomial time, an exponential speed-up is obtained. At the core of this quantum big data algorithm is a non-sparse matrix exponentiation technique for efficiently performing a matrix inversion of the training data inner-product (kernel) matrix.