SearcharxivSearch

arXiv subjects

Omar Shehab

Publications and source records attributed to Omar Shehab.

16 recordsLinked to original sources

Quantum Optimization with Classical Chaos

The Quantum Approximate Optimization Algorithm (QAOA) is a powerful tool in solving various combinatorial problems such as Maximum Satisfiability and Maximum Cut. Hard computational problems, however, require deep circuits that place high demands on classical variational parameter optimization. Ultimately, this has necessitated investigations into alternative methods for effective QAOA parameterizations. Here, we study a parameterization scheme based on classical chaotic recursive mapping, which enables significant reductions in the scaling of the variational parameter space. Through numerical investigations of hard Maximum Satisfiability problems, we demonstrate that the chaotic mapping can effectively match the performance of standard QAOA when subject to a limited number of classical optimization iterations and short-depth circuits. Insight into this behavior is elucidated through the lens of classical dynamical systems and used to inform hybridized schemes that leverage both standard and chaotic parameterizations. It is shown that these hybridized approaches can boost QAOA performance beyond that of the standard approach alone, especially for deep circuits. Through this study, we provide a new perspective that introduces a generalized framework for specifying performant, dynamical-map-based QAOA parameterizations.

quant-ph

Quantum Algorithm for Protein Structure Prediction Using the Face-Centered Cubic Lattice

In this work, we present the first implementation of the face-centered cubic (FCC) lattice model for protein structure prediction with a quantum algorithm. Our motivation to encode the FCC lattice stems from our observation that the FCC lattice is more capable in terms of modeling realistic secondary structures in proteins compared to other lattices, as demonstrated using root mean square deviation (RMSD). We utilize two quantum methods to solve this problem: a polynomial fitting approach (PolyFit) and the Variational Quantum Eigensolver with constraints (VQEC) based on the Lagrangian duality principle. Both methods are successfully deployed on Eagle R3 (ibm_cleveland) and Heron R2 (ibm_kingston) quantum computers, where we are able to recover ground state configurations for the 6-amino acid sequence KLVFFA under noise. A comparative analysis of the outcomes generated by the two QPUs reveals a significant enhancement (reaching nearly a two-fold improvement for PolyFit and a three-fold improvement for VQEC) in the prediction and sampling of the optimal solution (ground state conformations) on the newer Heron R2 architecture, highlighting the impact of quantum hardware advancements for this application.

quant-ph

Towards Quantum Tensor Decomposition in Biomedical Applications

Tensor decomposition has emerged as a powerful framework for feature extraction in multi-modal biomedical data. In this review, we present a comprehensive analysis of tensor decomposition methods such as Tucker, CANDECOMP/PARAFAC, spiked tensor decomposition, etc. and their diverse applications across biomedical domains such as imaging, multi-omics, and spatial transcriptomics. To systematically investigate the literature, we applied a topic modeling-based approach that identifies and groups distinct thematic sub-areas in biomedicine where tensor decomposition has been used, thereby revealing key trends and research directions. We evaluated challenges related to the scalability of latent spaces along with obtaining the optimal rank of the tensor, which often hinder the extraction of meaningful features from increasingly large and complex datasets. Additionally, we discuss recent advances in quantum algorithms for tensor decomposition, exploring how quantum computing can be leveraged to address these challenges. Our study includes a preliminary resource estimation analysis for quantum computing platforms and examines the feasibility of implementing quantum-enhanced tensor decomposition methods on near-term quantum devices. Collectively, this review not only synthesizes current applications and challenges of tensor decomposition in biomedical analyses but also outlines promising quantum computing strategies to enhance its impact on deriving actionable insights from complex biomedical data.

q-bio.QM

Sparse Non-Markovian Noise Modeling of Transmon-Based Multi-Qubit Operations

The influence of noise on quantum dynamics is one of the main factors preventing current quantum processors from performing accurate quantum computations. Sufficient noise characterization and modeling can provide key insights into the effect of noise on quantum algorithms and inform the design of targeted error protection protocols. However, constructing effective noise models that are sparse in model parameters, yet predictive can be challenging. In this work, we present an approach for effective noise modeling of multi-qubit operations on transmon-based devices. Through a comprehensive characterization of seven devices offered by the IBM Quantum Platform, we show that the model can capture and predict a wide range of single- and two-qubit behaviors, including non-Markovian effects resulting from spatio-temporally correlated noise sources. The model's predictive power is further highlighted through multi-qubit dynamical decoupling demonstrations and an implementation of the variational quantum eigensolver. As a training proxy for the hardware, we show that the model can predict expectation values within a relative error of 0.5%; this is a 7$\times$ improvement over default hardware noise models. Through these demonstrations, we highlight key error sources in superconducting qubits and illustrate the utility of reduced noise models for predicting hardware dynamics.

quant-ph

A perspective on protein structure prediction using quantum computers

Despite the recent advancements by deep learning methods such as AlphaFold2, \textit{in silico} protein structure prediction remains a challenging problem in biomedical research. With the rapid evolution of quantum computing, it is natural to ask whether quantum computers can offer some meaningful benefits for approaching this problem. Yet, identifying specific problem instances amenable to quantum advantage, and estimating quantum resources required are equally challenging tasks. Here, we share our perspective on how to create a framework for systematically selecting protein structure prediction problems that are amenable for quantum advantage, and estimate quantum resources for such problems on a utility-scale quantum computer. As a proof-of-concept, we validate our problem selection framework by accurately predicting the structure of a catalytic loop of the Zika Virus NS3 Helicase, on quantum hardware.

quant-ph

Towards quantum-enabled cell-centric therapeutics

In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future quantum computers will be capable of performing simulations for natural science applications, operations research, and machine learning at scales mostly inaccessible to classical computers. Whereas the impact of quantum computing has already started to be recognized in fields such as cryptanalysis, natural science simulations, and optimization among others, very little is known about the full potential of quantum computing simulations and machine learning in the realm of healthcare and life science (HCLS). Herein, we discuss the transformational changes we expect from the use of quantum computation for HCLS research, more specifically in the field of cell-centric therapeutics. Moreover, we identify and elaborate open problems in cell engineering, tissue modeling, perturbation modeling, and bio-topology while discussing candidate quantum algorithms for research on these topics and their potential advantages over classical computational approaches.

quant-ph

Energy risk analysis with Dynamic Amplitude Estimation and Piecewise Approximate Quantum Compiling

We generalize the Approximate Quantum Compiling algorithm into a new method for CNOT-depth reduction, which is apt to process wide target quantum circuits. Combining this method with state-of-the-art techniques for error mitigation and circuit compiling, we present a 10-qubit experimental demonstration of Iterative Amplitude Estimation on a quantum computer. The target application is the derivation of the Expected Value of contract portfolios in the energy industry. In parallel, we also introduce a new variant of the Quantum Amplitude Estimation algorithm which we call Dynamic Amplitude Estimation, as it is based on the dynamic circuit capability of quantum devices. The algorithm achieves a reduction in the circuit width in the order of the binary precision compared to the typical implementation of Quantum Amplitude Estimation, while simultaneously decreasing the number of quantum-classical iterations (again in the order of the binary precision) compared to the Iterative Amplitude Estimation. The calculation of the Expected Value, VaR and CVaR of contract portfolios on quantum hardware provides a proof of principle of the new algorithm.

quant-ph

Conditions for a quadratic quantum speedup in nonlinear transforms with applications to energy contract pricing

Computing nonlinear functions over multilinear forms is a general problem with applications in risk analysis. For instance in the domain of energy economics, accurate and timely risk management demands for efficient simulation of millions of scenarios, largely benefiting from computational speedups. We develop a novel hybrid quantum-classical algorithm based on polynomial approximation of nonlinear functions, computed through Quantum Hadamard Products, and we rigorously assess the conditions for its end-to-end speedup for different implementation variants against classical algorithms. In our setting, a quadratic quantum speedup, up to polylogarithmic factors, can be proven only when forms are bilinear and approximating polynomials have second degree, if efficient loading unitaries are available for the input data sets. We also enhance the bidirectional encoding, that allows tuning the balance between circuit depth and width, proposing an improved version that can be exploited for the calculation of inner products. Lastly, we exploit the dynamic circuit capabilities, recently introduced on IBM Quantum devices, to reduce the average depth of the Quantum Hadamard Product circuit. A proof of principle is implemented and validated on IBM Quantum systems.

quant-ph

Markov Chain Monte-Carlo Enhanced Variational Quantum Algorithms

Variational quantum algorithms are poised to have significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these algorithms is generally nonconvex, causing suboptimal solutions due to convergence to local, rather than global, minima. In this work, we introduce a variational quantum algorithm that uses classical Markov chain Monte Carlo techniques to provably converge to global minima. These performance gaurantees are derived from the ergodicity of our algorithm's state space and enable us to place analytic bounds on its time-complexity. We demonstrate both the effectiveness of our technique and the validity of our analysis through quantum circuit simulations for MaxCut instances, solving these problems deterministically and with perfect accuracy. Our technique stands to broadly enrich the field of variational quantum algorithms, improving and gauranteeing the performance of these promising, yet often heuristic, methods.

quant-ph

Quantum kernels for real-world predictions based on electronic health records

In recent years, research on near-term quantum machine learning has explored how classical machine learning algorithms endowed with access to quantum kernels (similarity measures) can outperform their purely classical counterparts. Although theoretical work has shown provable advantage on synthetic data sets, no work done to date has studied empirically whether quantum advantage is attainable and with what kind of data set. In this paper, we report the first systematic investigation of empirical quantum advantage (EQA) in healthcare and life sciences and propose an end-to-end framework to study EQA. We selected electronic health records (EHRs) data subsets and created a configuration space of 5-20 features and 200-300 training samples. For each configuration coordinate, we trained classical support vector machine (SVM) models based on radial basis function (RBF) kernels and quantum models with custom kernels using an IBM quantum computer, making this one of the largest quantum machine learning experiments to date. We empirically identified regimes where quantum kernels could provide advantage on a particular data set and introduced a terrain ruggedness index, a metric to help quantitatively estimate how the accuracy of a given model will perform as a function of the number of features and sample size. The generalizable framework introduced here represents a key step towards a priori identification of data sets where quantum advantage could exist.

quant-ph

Noise reduction using past causal cones in variational quantum algorithms

We introduce an approach to improve the accuracy and reduce the sample complexity of near term quantum-classical algorithms. We construct a simpler initial parameterized quantum state, or ansatz, based on the past causal cone of each observable, generally yielding fewer qubits and gates. We implement this protocol on a trapped ion quantum computer and demonstrate improvement in accuracy and time-to-solution at an arbitrary point in the variational search space. We report a $\sim 27\%$ improvement in the accuracy of the calculation of the deuteron binding energy and $\sim 40\%$ improvement in the accuracy of the quantum approximate optimization of the MAXCUT problem applied to the dragon graph $T_{3,2}$. When the time-to-solution is prioritized over accuracy, the former requires $\sim 71\%$ fewer measurements and the latter requires $\sim 78\%$ fewer measurements.

quant-ph

Toward convergence of effective field theory simulations on digital quantum computers

We report results for simulating an effective field theory to compute the binding energy of the deuteron nucleus using a hybrid algorithm on a trapped-ion quantum computer. Two increasingly complex unitary coupled-cluster ansaetze have been used to compute the binding energy to within a few percent for successively more complex Hamiltonians. By increasing the complexity of the Hamiltonian, allowing more terms in the effective field theory expansion and calculating their expectation values, we present a benchmark for quantum computers based on their ability to scalably calculate the effective field theory with increasing accuracy. Our result of $E_4=-2.220 \pm 0.179$MeV may be compared with the exact Deuteron ground-state energy $-2.224$MeV. We also demonstrate an error mitigation technique using Richardson extrapolation on ion traps for the first time. The error mitigation circuit represents a record for deepest quantum circuit on a trapped-ion quantum computer.

quant-ph

Quantum Fourier Sampling is Guaranteed to Fail to Compute Automorphism Groups of Easy Graphs

The quantum hidden subgroup approach is an actively studied approach to solve combinatorial problems in quantum complexity theory. With the success of the Shor's algorithm, it was hoped that similar approach may be useful to solve the other combinatorial problems. One such problem is the graph isomorphism problem which has survived decades of efforts using the hidden subgroup approach. This paper provides a systematic approach to create arbitrarily large classes of classically efficiently solvable graph automorphism problems or easy graph automorphism problems for which hidden subgroup approach is guaranteed to always fail irrespective of the size of the graphs no matter how many copies of coset states are used. As the graph isomorphism problem is believed to be at least as hard as the graph automorphism problem, the result of this paper entails that the hidden subgroup approach is also guaranteed to always fail for the arbitrarily large classes of graph isomorphism problems. Combining these two results, it is argued that the hidden subgroup approach is essentially a dead end and alternative quantum algorithmic approach needs to be investigated for the graph isomorphism and automorphism problems.

quant-ph

Exponential capacity of associative memories under quantum annealing recall

Associative memory models, in theoretical neuro- and computer sciences, can generally store a sublinear number of memories. We show that using quantum annealing for recall tasks endows associative memory models with exponential storage capacities. Theoretically, we obtain the radius of attractor basins, $R(N)$, and the capacity, $C(N)$, of such a scheme and their tradeoffs. Our calculations establish that for randomly chosen memories the capacity of a model using the Hebbian learning rule with recall via quantum annealing is exponential in the size of the problem, $C(N)=\mathcal{O}(e^{C_1N}),~C_1\geq0$, and succeeds on randomly chosen memory sets with a probability of $(1-e^{-C_2N}),~C_2\geq0$ with $C_1+C_2=(.5-f)^2/(1-f)$, where, $f=R(N)/N,~0\leq f\leq .5$ is the radius of attraction in terms of Hamming distance of an input probe from a stored memory as a fraction of the problem size. We demonstrate the application of this scheme on a programmable quantum annealing device - the Dwave processor.

quant-ph

Experimental quantum annealing: case study involving the graph isomorphism problem

Quantum annealing is a proposed combinatorial optimization technique meant to exploit quantum mechanical effects such as tunneling and entanglement. Real-world quantum annealing-based solvers require a combination of annealing and classical pre- and post-processing; at this early stage, little is known about how to partition and optimize the processing. This article presents an experimental case study of quantum annealing and some of the factors involved in real-world solvers, using a 504-qubit D-Wave Two machine and the graph isomorphism problem. To illustrate the role of classical pre-processing, a compact Hamiltonian is presented that enables a reduced Ising model for each problem instance. On random N-vertex graphs, the median number of variables is reduced from N^2 to fewer than N lg N and solvable graph sizes increase from N = 5 to N = 13. Additionally, a type of classical post-processing error correction is evaluated. While the solution times are not competitive with classical approaches to graph isomorphism, the enhanced solver ultimately classified correctly every problem that was mapped to the processor and demonstrated clear advantages over the baseline approach. The results shed some light on the nature of real-world quantum annealing and the associated hybrid classical-quantum solvers.

quant-ph

Five Quantum Algorithms Using Quipper

Quipper is a recently released quantum programming language. In this report, we explore Quipper's programming framework by implementing the Deutsch's, Deutsch-Jozsa's, Simon's, Grover's, and Shor's factoring algorithms. It will help new quantum programmers in an instructive manner. We choose Quipper especially for its usability and scalability though it's an ongoing development project. We have also provided introductory concepts of Quipper and prerequisite backgrounds of the algorithms for readers' convenience. We also have written codes for oracles (black boxes or functions) for individual algorithms and tested some of them using the Quipper simulator to prove correctness and introduce the readers with the functionality. As Quipper 0.5 does not include more than \ensuremath{4 \times 4} matrix constructors for Unitary operators, we have also implemented \ensuremath{8 \times 8} and \ensuremath{16 \times 16} matrix constructors.

quant-ph