Quantum Generative Models for Small Molecule Drug Discovery

Existing drug discovery pipelines take 5–10 years and cost billions of dollars. Computational approaches aim to sample from regions of the whole molecular and solid-state compounds called chemical space, which could be on the order of 1060. Deep generative models can model the underlying probability distribution of both the physical structures and property of drugs and […]

Efficient Discrete Feature Encoding for Variational Quantum Classifier

Recent days have witnessed significant interests in applying quantum-enhanced techniques for solving a variety of machine learning tasks. Variational methods that use quantum resources of imperfect quantum devices with the help of classical computing techniques are popular for supervised learning. Variational quantum classification (VQC) is one of such methods with possible quantum advantage in using […]

Engineering the Quantum Scientific Computing Open User Testbed

The Quantum Scientific Computing Open User Testbed (QSCOUT) at Sandia National Laboratories is a trapped-ion qubit system designed to evaluate the potential of near-term quantum hardware in scientific computing applications for the U.S. Department of Energy and its Advanced Scientific Computing Research program. Similar to commercially available platforms, it offers quantum hardware that researchers can […]

Reducing the Depth of Linear Reversible Quantum Circuits

In quantum computing the decoherence time of the qubits determines the computation time available, and this time is very limited when using current hardware. In this article, we minimize the execution time (the depth) for a class of circuits referred to as linear reversible circuits, which has many applications in quantum computing (e.g., stabilizer circuits, […]

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 […]

Benchmarking Quantum Coprocessors in an Application-Centric, Hardware-Agnostic, and Scalable Way

Existing protocols for benchmarking current quantum coprocessors fail to meet the usual standards for assessing the performance of high-performance-computing platforms. After a synthetic review of these protocols—whether at the gate, circuit, or application level—we introduce a new benchmark, dubbed Atos Q-score, which is application-centric, hardware-agnostic, and scalable to quantum advantage processor sizes and beyond. The […]

One-Dimensional Lazy Quantum Walk in Ternary System

Quantum walks play an important role for developing quantum algorithms and quantum simulations. Here, we introduce a first of its kind one-dimensional lazy quantum walk in the ternary quantum domain and show its equivalence for circuit realization in ternary quantum logic. Using an appropriate logical mapping of the position space on which a walker evolves […]

Quantum Algorithms for Mixed Binary Optimization Applied to Transaction Settlement

In this article, we extend variational quantum optimization algorithms for quadratic unconstrained binary optimization problems to the class of mixed binary optimization problems. This allows us to combine binary decision variables with continuous decision variables, which, for instance, enables the modeling of inequality constraints via slack variables. We propose two heuristics and introduce the transaction […]

Variational Learning for Quantum Artificial Neural Networks

In the past few years, quantum computing and machine learning fostered rapid developments in their respective areas of application, introducing new perspectives on how information processing systems can be realized and programmed. The rapidly growing field of quantum machine learning aims at bringing together these two ongoing revolutions. Here, we first review a series of […]

Distributed Quantum Computing and Network Control for Accelerated VQE

Interconnecting small quantum computers will be essential in the future for creating large-scale, robust quantum computers. Methods for distributing monolithic quantum algorithms efficiently are, thus, needed. In this article, we consider an approach for distributing the accelerated variational quantum eigensolver algorithm over arbitrary sized—in terms of number of qubits—distributed quantum computers. We consider approaches for […]