arXiv subjects

Abdullah Ash Saki

Publications and source records attributed to Abdullah Ash Saki.

At least 19 recordsLinked to original sources

arXiv2026

ffsim: Faster simulation of fermionic quantum circuits

We present ffsim, an open-source software library for fast simulation of fermionic quantum circuits. ffsim exploits conservation of particle number and the z component of spin, symmetries present in a wide range of fermionic systems, to dramatically reduce memory usage and simulation time compared to general-purpose quantum circuit simulators. Compared to FQE, a library with similar functionality, ffsim differs in software design and is faster on a representative set of simulation benchmarks. Beyond state vector evolution by basic fermionic gates, ffsim offers a number of additional features including variational ansatzes, Hamiltonian time evolution via Trotter-Suzuki product formulas, efficient sampling of Slater determinants, seamless integration with Qiskit and PySCF, and comprehensive documentation. We demonstrate ffsim's capabilities on scientific applications involving quantum circuits of up to 64 qubits.

quant-ph↗

arXiv2026

Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging

The simulation of electronic systems is an anticipated application for quantum-centric computers, i.e. heterogeneous architectures where classical and quantum processing units operate in concert. An important application is the computation of radical chain reactions, including those responsible for the photodegradation of composite materials used in aerospace engineering. Here, we compute the activation energy and reaction energy for hydrogen abstraction from 2,2-diphenyldipropane, used as a minimal model for a step in a radical chain reaction. Calculations are performed using a superconducting quantum processor of the IBM Heron family and classical computing resources. To this end, we combine a qubit-reduction technique called entanglement forging (EF) with sample-based quantum diagonalization (SQD), a method that projects the Schrödinger equation into a subspace of configurations sampled from a quantum device. In conventional quantum simulations, a qubit represents a spin-orbital. In contrast, EF maps a qubit to a spatial orbital, reducing the required number of qubits by half. We provide a complete derivation and a detailed description of the combined EF and SQD approach, and we assess its accuracy across active spaces of varying sizes upto (39e,39o).

quant-ph↗

arXiv2026

A generalized framework for quantum subspace diagonalization

We present a framework for computing the solution to Hamiltonian eigenproblems in a subspace defined by bit-strings sampled from a quantum computer. Hamiltonians are represented using an extended alphabet that includes projection and ladder operators, yielding a unified solution method for qubit and fermionic systems. Operators are grouped and sorted so that only non-zero terms are evaluated and a minimal number of subspace lookup operations are performed. Bit-strings are expressed using bit-sets to reduce memory consumption and allow for evaluating operators with no intrinsic limitation on the number of qubits. Subspaces defined over bit-sets are stored in a hash map format that allows for efficient indexing and lookup operations. Our method can be used to directly construct sparse matrix representations or obtain matrix-free solutions. Users are free to utilize these in their eigensolver of choice. We show the benefits of our framework by computing the ground-state solution to examples from condensed matter physics and quantum chemistry with less memory and runtime compared to existing techniques, in some cases by an order of magnitude or more. This work provides a flexible interface for performant quantum-classical eigensolutions for candidate quantum advantage applications.

quant-ph↗

arXiv2025

Efficient Quantum Protein Structure Prediction with Problem-Agnostic Ansatzes

Accurately predicting protein structures from amino acid sequences remains a fundamental challenge in computational biology, with profound implications for understanding biological functions and enabling structure-based drug discovery. Quantum computing approaches based on coarse-grained lattice models combined with variational algorithms have been proposed as an initial step towards predicting protein structures using quantum computers. In this work, we introduce a more efficient quantum protein structure prediction workflow that bypasses the need for explicit Hamiltonian construction by employing a problem-agnostic ansatz. The ansatz is trained to minimize an energy-based cost function that can be efficiently computed on classical computers, eliminating the need for ancillary qubits and reducing circuit depth compared to previous Hamiltonian-based methods. This enables a more scalable approach for larger proteins and facilitates the inclusion of higher-order interactions, previously hard to achieve in quantum approaches. We validate our method by benchmarking a hardware-efficient ansatz on a large set of proteins with up to 26 amino acids, modeled on the tetrahedral, body-centered cubic, and face-centered cubic lattices, incorporating up to second-nearest-neighbor interactions. We assess the performance on both a noise-free simulator and the ibm_kingston quantum computer using a set of distinct metrics to probe different aspects of the prediction quality. These experiments push the boundaries of quantum methods for protein structure prediction, targeting sequences that are longer than those typically addressed in prior studies. Overall, the results highlight the scalability and versatility of our approach, while also identifying key areas for improvement to inform future algorithm development and hardware advancements.

quant-ph↗

arXiv2025

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↗

arXiv2025

A Primer on Security of Quantum Computing Hardware

Quantum computing is an emerging computing paradigm that can potentially transform several application areas by solving some of the intractable problems from classical domain. Similar to classical computing systems, quantum computing stack including software and hardware rely extensively on third parties many of them could be untrusted or less-trusted or unreliable. Quantum computing stack may contain sensitive Intellectual Properties (IP) that requires protection. From hardware perspective, quantum computers suffer from crosstalk that couples two programs in a multi-tenant setting to facilitate traditionally known fault injection attacks. Furthermore, third party calibration services can report incorrect error rates of qubits or mis-calibrate the qubits to degrade the computation performance for denial-of-service attacks. Quantum computers are expensive and access queue is typically long for trusted providers. Therefore, users may be enticed to explore untrusted but cheaper and readily available quantum hardware which can enable stealth of IP and tampering of quantum programs and/or computation outcomes. Recent studies have indicated the evolution of efficient but untrusted compilation services which presents risks to the IPs present in the quantum circuits. The untrusted compiler can also inject Trojans and perform tampering. Although quantum computing can involve sensitive IP and private information and can solve problems with strategic impact, its security and privacy has received inadequate attention. This paper provides comprehensive overview of the basics of quantum computing, key vulnerabilities embedded in the quantum systems and the recent attack vectors and corresponding defenses. Future research directions are also provided to build a stronger community of quantum security investigators.

quant-ph↗

arXiv2025

Benchmarking the performance of quantum computing software

We present Benchpress, a benchmarking suite for evaluating the performance and range of functionality of multiple quantum computing software development kits. This suite consists of a collection of over $1000$ tests measuring key performance metrics for a wide variety of operations on quantum circuits comprised of up to $930$ qubits and $\mathcal{O}(10^{6})$ two-qubit gates, as well as an execution framework for running the tests over multiple quantum software packages in a unified manner. We give a detailed overview of the benchmark suite, its methodology, and generate representative results over seven different quantum software packages. The flexibility of the Benchpress framework allows for benchmarking that not only keeps pace with quantum hardware improvements but can preemptively gauge the quantum circuit processing costs of future device architectures. Being open-source, Benchpress ensures the transparency and verification of performance claims.

quant-ph↗

arXiv2024

Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory

Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum embedding methods are a family of algorithms particularly suited to these computational platforms: they combine high-level calculations on active regions of a molecule with low-level calculations on the surrounding environment, thereby avoiding expensive high-level full-molecule calculations and allowing to distribute computational cost across multiple and heterogeneous computing units. Here, we present the first density matrix embedding theory (DMET) simulations performed in combination with the sample-based quantum diagonalization (SQD) method. We employ the DMET-SQD formalism to compute the ground-state energy of a ring of 18 hydrogen atoms, and the relative energies of the chair, half-chair, twist-boat, and boat conformers of cyclohexane. The full-molecule 41- and 89-qubit simulations are decomposed into 27- and 32-qubit active-region simulations, that we carry out on the ibm_cleveland device, obtaining results in agreement with reference classical methods. Our DMET-SQD calculations mark a tangible progress in the size of active regions that can be accurately tackled by near-term quantum computers, and are an early demonstration of the potential for quantum-centric simulations to accurately treat the electronic structure of large molecules, with the ultimate goal of tackling systems such as peptides and proteins.

quant-ph↗

arXiv2024

Accurate quantum-centric simulations of supramolecular interactions

We present the first quantum-centric simulations of noncovalent interactions using a supramolecular approach. We simulate the potential energy surfaces (PES) of the water and methane dimers, featuring hydrophilic and hydrophobic interactions, respectively, with a sample-based quantum diagonalization (SQD) approach. Our simulations on quantum processors, using 27- and 36-qubit circuits, are in remarkable agreement with classical methods, deviating from complete active space configuration interaction (CASCI) and coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) within 1 kcal/mol in the equilibrium regions of the PES. Finally, we test the capacity limits of the quantum methods for capturing hydrophobic interactions with an experiment on 54 qubits. These results mark significant progress in the application of quantum computing to chemical problems, paving the way for more accurate modeling of noncovalent interactions in complex systems critical to the biological, chemical and pharmaceutical sciences.

quant-ph↗

arXiv2023

QuBEC: Boosting Equivalence Checking for Quantum Circuits with QEC Embedding

Quantum computing has proven to be capable of accelerating many algorithms by performing tasks that classical computers cannot. Currently, Noisy Intermediate Scale Quantum (NISQ) machines struggle from scalability and noise issues to render a commercial quantum computer. However, the physical and software improvements of a quantum computer can efficiently control quantum gate noise. As the complexity of quantum algorithms and implementation increases, software control of quantum circuits may lead to a more intricate design. Consequently, the verification of quantum circuits becomes crucial in ensuring the correctness of the compilation, along with other processes, including quantum error correction and assertions, that can increase the fidelity of quantum circuits. In this paper, we propose a Decision Diagram-based quantum equivalence checking approach, QuBEC, that requires less latency compared to existing techniques, while accounting for circuits with quantum error correction redundancy. Our proposed methodology reduces verification time on certain benchmark circuits by up to $271.49 \times$, while the number of Decision Diagram nodes required is reduced by up to $798.31 \times$, compared to state-of-the-art strategies. The proposed QuBEC framework can contribute to the advancement of quantum computing by enabling faster and more efficient verification of quantum circuits, paving the way for the development of larger and more complex quantum algorithms.

cs.ET↗

arXiv2023

Hypothesis Testing for Error Mitigation: How to Evaluate Error Mitigation

In the noisy intermediate-scale quantum (NISQ) era, quantum error mitigation will be a necessary tool to extract useful performance out of quantum devices. However, there is a big gap between the noise models often assumed by error mitigation techniques and the actual noise on quantum devices. As a consequence, there arises a gap between the theoretical expectations of the techniques and their everyday performance. Cloud users of quantum devices in particular, who often take the devices as they are, feel this gap the most. How should they parametrize their uncertainty in the usefulness of these techniques and be able to make judgement calls between resources required to implement error mitigation and the accuracy required at the algorithmic level? To answer the first question, we introduce hypothesis testing within the framework of quantum error mitigation and for the second question, we propose an inclusive figure of merit that accounts for both resource requirement and mitigation efficiency of an error mitigation implementation. The figure of merit is useful to weigh the trade-offs between the scalability and accuracy of various error mitigation methods. Finally, using the hypothesis testing and the figure of merit, we experimentally evaluate $16$ error mitigation pipelines composed of singular methods such as zero noise extrapolation, randomized compilation, measurement error mitigation, dynamical decoupling, and mitigation with estimation circuits. In total our data involved running $275,640$ circuits on two IBM quantum computers.

quant-ph↗

arXiv2022

A Shuttle-Efficient Qubit Mapper for Trapped-Ion Quantum Computers

Trapped-ion (TI) quantum computer is one of the forerunner quantum technologies. However, TI systems can have a limited number of qubits in a single trap. Execution of meaningful quantum algorithms requires a multiple trap system. In such systems, the computation may frequently involve ions from two different traps for which the qubits must be co-located in the same trap, hence one of the ions needs to be shuttled (moved) between traps, increasing the vibrational energy, degrading fidelity, and increasing the program execution time. The choice of initial mapping influences the number of shuttles. The existing Greedy policy counts the number of gates occurring between each pair of qubits and assigns edge weight. The qubits with high edge weights are placed close to each other. However, it neglects the stage of the program at which the gate is occurring. Intuitively, the contribution of the late-occurring gates to the initial mapping reduces since the ions might have already shuttled to a different trap to satisfy other gate operations. In this paper, we target this gap and propose a new policy especially for programs with considerable depth and high number of qubits (valid for practical-scale quantum programs). Our policy is program adaptive and prioritizes the gates re-occurring at the initial stages of the program over late occurring gates. Our technique achieves an average reduction of 9% shuttles/program (with 21.3% at best) for 120 random circuits and enhances the program fidelity up to 3.3X (1.41X on average).

quant-ph↗

arXiv2021

Muzzle the Shuttle: Efficient Compilation for Multi-Trap Trapped-Ion Quantum Computers

Trapped-ion systems can have a limited number of ions (qubits) in a single trap. Increasing the qubit count to run meaningful quantum algorithms would require multiple traps where ions need to shuttle between traps to communicate. The existing compiler has several limitations which result in a high number of shuttle operations and degraded fidelity. In this paper, we target this gap and propose compiler optimizations to reduce the number of shuttles. Our technique achieves a maximum reduction of $51.17\%$ in shuttles (average $\approx 33\%$) tested over $125$ circuits. Furthermore, the improved compilation enhances the program fidelity up to $22.68$X with a modest increase in the compilation time.

quant-ph↗

arXiv2021

Shuttle-Exploiting Attacks and Their Defenses in Trapped-Ion Quantum Computers

Trapped-ion (TI) quantum bits are a front-runner technology for quantum computing. TI systems with multiple interconnected traps can overcome the hardware connectivity issue inherent in superconducting qubits and can solve practical problems at scale. With a sufficient number of qubits on the horizon, the multi-programming model for Quantum Computers (QC) has been proposed where multiple users share the same QC for their computing. Multi-programming is enticing for quantum cloud providers as it can maximize device utilization, throughput, and profit for clouds. Users can also benefit from the short wait queue. However, shared access to quantum computers can create new security issues. This paper presents one such vulnerability in shared TI systems that require shuttle operations for communication among traps. Repeated shuttle operations increase quantum bit energy and degrade the reliability of computations (fidelity). We show adversarial program design approaches requiring numerous shuttles. We propose a random and systematic methodology for adversary program generation. Our analysis shows shuttle-exploiting attacks can substantially degrade the fidelities of victim programs by 2X to 63X. Finally, we present several countermeasures such as adopting a hybrid initial mapping policy, padding victim programs with dummy qubits, and capping maximum shuttles.

quant-ph↗

arXiv2021

A Survey and Tutorial on Security and Resilience of Quantum Computing

Present-day quantum computers suffer from various noises or errors such as gate error, relaxation, dephasing, readout error, and crosstalk. Besides, they offer a limited number of qubits with restrictive connectivity. Therefore, quantum programs running these computers face resilience issues and low output fidelities. The noise in the cloud-based access of quantum computers also introduces new modes of security and privacy issues. Furthermore, quantum computers face several threat models from insider and outsider adversaries including input tampering, program misallocation, fault injection, Reverse Engineering (RE), and Cloning. This paper provides an overview of various assets embedded in quantum computers and programs, vulnerabilities and attack models, and the relation between resilience and security. We also cover countermeasures against the reliability and security issues and present a future outlook for the security of quantum computing.

quant-ph↗

arXiv2021

Qubit Sensing: A New Attack Model for Multi-programming Quantum Computing

Noisy quantum computers suffer from readout or measurement error. It is a classical bit-flip error due to which state "1" is read out as "0" and vice-versa. The probability of readout error shows a state dependence i.e., flipping probability of state "1" may differ from flipping probability of state "0". Moreover, the probability shows correlation across qubits. These state-dependent and correlated error probability introduces a signature of victim outputs on adversary output when two programs are run simultaneously on the same quantum computer. This can be exploited to sense victim output which may contain sensitive information. In this paper, we systematically show that such readout error-dependent signatures exist and that an adversary can use such signature to infer a user output. We experimentally demonstrate the attack (inference) on 3 public IBM quantum computers. Using Jensen-Shannon Distance (JSD) a measure for statistical inference, we show that our approach identifies victim output with an accuracy of 96% on real hardware. We also present randomized output flipping as a lightweight yet effective countermeasure to thwart such information leakage attacks. Our analysis shows the countermeasure incurs a minor penalty of 0.05% in terms of fidelity.

quant-ph↗

arXiv2021

A Quantum Circuit Obfuscation Methodology for Security and Privacy

Optimization of quantum circuits using an efficient compiler is key to its success for NISQ computers. Several 3rd party compilers are evolving to offer improved performance for large quantum circuits. These 3rd parties, or just a certain release of an otherwise trustworthy compiler, may possibly be untrusted and this could lead to an adversary to Reverse Engineer (RE) the quantum circuit for extracting sensitive aspects e.g., circuit topology, program, and its properties. In this paper, we propose obfuscation of quantum circuits to hide the functionality. Quantum circuits have inherent margin between correct and incorrect outputs. Therefore, obfuscation (i.e., corruption of functionality) by inserting dummy gates is nontrivial. We insert dummy SWAP gates one at a time for maximum corruption of functionality before sending the quantum circuit to an untrusted compiler. If an untrusted party clones the design, they get incorrect functionality. The designer removes the dummy SWAP gate post-compilation to restore the correct functionality. Compared to a classical counterpart, the quantum chip does not reveal the circuit functionality. Therefore, an adversary cannot guess the SWAP gate and location/validate using an oracle model. Evaluation of realistic quantum circuit with/without SWAP insertion is impossible in classical computers. Therefore, we propose a metric-based SWAP gate insertion process. The objective of the metric is to ensure maximum corruption of functionality measured using Total Variation Distance (TVD). The proposed approach is validated using IBM default noisy simulation model. Our metric-based approach predicts the SWAP position to achieve TVD of upto 50%, and performs 7.5% better than average TVD, and performs within 12.3% of the best obtainable TVD for the benchmarks. We obtain an overhead of < 5% for the number of gates and circuit depth after SWAP addition.

quant-ph↗

arXiv2019

MUQUT: Multi-Constraint Quantum Circuit Mapping on Noisy Intermediate-Scale Quantum Computers

Rapid advancement in the domain of quantum technologies has opened up researchers to the real possibility of experimenting with quantum circuits and simulating small-scale quantum programs. Nevertheless, the quality of currently available qubits and environmental noise poses a challenge in the smooth execution of the quantum circuits. Therefore, efficient design automation flows for mapping a given algorithm to the Noisy Intermediate Scale Quantum (NISQ) computer becomes of utmost importance. State-of-the-art quantum design automation tools are primarily focused on reducing logical depth, gate count and qubit count with the recent emphasis on topology-aware (nearest-neighbor compliance) mapping. In this work, we extend the technology mapping flows to simultaneously consider the topology and gate fidelity constraints while keeping logical depth and gate count as optimization objectives. We provide a comprehensive problem formulation and multi-tier approach towards solving it. The proposed automation flow is compatible with commercial quantum computers, such as IBM QX and Rigetti. Our simulation results over 10 quantum circuit benchmarks show that the fidelity of the circuit can be improved up to 3.37X with an average improvement of 1.87X.

quant-ph↗