arXiv subjects

Pooja Rao

Publications and source records attributed to Pooja Rao.

At least 19 recordsLinked to original sources

arXiv2026

Performance Model for Hybrid Quantum-Classical Workflows

Hybrid quantum-classical workflows are expected to underpin practical quantum computing applications, yet the quantum and HPC communities lack a shared framework for reasoning about where and when their integration requirements matter most. Such a framework must separate two distinct levels of analysis: the application level, where communication overhead affects runtime performance, and the real-time level, where it determines feasibility. To address this, we introduce a runtime model that decomposes workflow execution into quantum compute, classical compute, and communication costs. At the application level, a communication-to-computation ratio from this decomposition quantifies whether a workflow is communication-bound or compute-bound; at the real-time level, a feasibility constraint determines whether timing requirements can be met at all, with the reaction time setting the logical clock speed of fault-tolerant computation once they are. Application of this model to representative workflows demonstrates that co-location of quantum processors with HPC infrastructure offers negligible performance benefit for compute-intensive applications today, while tight integration remains crucial for real-time tasks such as quantum error correction needed for large scale quantum computations. However, we discuss how even at the application level these assessments may shift with hardware evolution, illustrating how the model can identify specific crossover conditions, and how, under fault tolerance, the reaction time can set application-level performance.

quant-ph↗

arXiv2026

SCALAR: A Neurosymbolic Framework for Automated Conjecture and Reasoning in Quantum Circuit Analysis

In this paper, we present SCALAR (Symbolic Conjecture and LLM-Assisted Reasoning), a neurosymbolic framework for automated conjecture generation in quantum circuit analysis built on top of the CUDA-Q open source framework. The system integrates quantum simulation, symbolic conjecture generation, and LLM-based interpretation. We evaluate SCALAR on 82 MaxCut instances from the MQLib benchmark dataset and extend the analysis to 2,000 randomly generated graphs across four topologies: regular, Erdos-Renyi, Barabasi-Albert, and Watts-Strogatz. The framework generates conjectured bounds relating optimal QAOA parameters to graph invariants, including known relationships such as periodicity constraints on the phase separation parameter $\gamma$. SCALAR also recovers previously reported parameter transfer phenomena across structurally similar instances. Additionally, the system identifies correlations between graph structural features and optimization landscape properties, which we characterize through invariant-based descriptors. Using CUDA-Q tensor network simulator, we scale experiments to instances of up to 77 qubits. We discuss the accuracy, generality, and limitations of the generated conjectures, including sensitivity to graph class and quantum circuit depth.

quant-ph↗

arXiv2026

Benchmarking quantum trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo

The phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method is a stochastic imaginary-time projection technique for computing ground-state properties of strongly correlated quantum systems, with accuracy that depends critically on the choice of trial wavefunction. Here, we investigate ph-AFQMC with trial states prepared using parameterized quantum circuits. In this work, we present a comprehensive benchmarking study of quantum trial wavefunctions spanning unitary coupled-cluster, Hamiltonian-informed, Jastrow-inspired, and adaptively constructed ansatze. The benchmarking evaluates accuracy, expressibility, and scalability of these ansatze within the QC-AFQMC framework. We test these ansatze on linear hydrogen chains under bond stretching and find that several ansatz families produce chemically accurate ph-AFQMC energies across the dissociation curve. We have performed simulations using the CUDA-Q quantum development platform on the GPU partition of the Perlmutter supercomputer. When comparing ansatze at similar numbers of variational parameters, we find that different ansatz families yield comparable ph-AFQMC results despite exhibiting substantially different variational energies, optimization costs, and circuit depths. Our results indicate that the variational energy of an ansatz is not always a reliable indicator of its quality for ph-AFQMC and reveal instances of over-parameterization. In the strongly correlated regime, trial wavefunctions obtained from adaptive ansatze, exemplified here by ADAPT-VQE with the UCCSD operator pool, can outperform their fixed-ansatz counterparts (UCCSD) in terms of projected energies while using substantially more compact circuits, providing a flexible route to optimize quantum resources within the ph-AFQMC framework.

quant-ph↗

arXiv2026

Distributed Variational Quantum Linear Solver

The Variational Quantum Linear Solver (VQLS), a hybrid quantum-classical algorithm for solving linear systems, faces a practical scalability bottleneck: the Linear Combination of Unitaries (LCU) decomposition requires $O(L^2)$ circuit evaluations per optimizer iteration, where $L$ can grow to $4^n$ in the worst case for an $n$-qubit system. We address this computational bottleneck through two complementary strategies. First, we present a distributed VQLS (D-VQLS) framework (https://code.ornl.gov/olcf-qcfd/DVQLS.git), built on NVIDIA CUDA-Q, that enables asynchronous, scalable distribution of the $O(L^2)$ cost evaluations. Second, a fast Walsh--Hadamard transform (FWHT)-based Pauli decomposition with coefficient-amplitude pruning threshold $\tau=0.01$ curbs LCU growth for the structured Toeplitz family, reducing $L$ from $O(2^n)$ to 64 for $n>6$ and compressing the circuit complexity per optimizer iteration from $O(n4^n)$ to $O(n)$. We derive the exact top-$L$ Frobenius error and connect it to worst-case solution error. For a 10-qubit tridiagonal Toeplitz system, the $L=64$ pruning yields a $256\times$ reduction---from 23 million to 90k circuits per optimizer iteration. The D-VQLS framework is validated on the NERSC Perlmutter supercomputer using multi-node, multi-GPU ideal state-vector simulations, achieving over $99.99\%$ fidelity against classical solutions on tridiagonal Toeplitz and Hele--Shaw flow benchmarks, with near-ideal strong scaling up to 24 GPUs and $95.3\%$ weak scaling efficiency at 96 GPUs processing more than 360k circuits per optimizer iteration (from larger-$L$ pruning) for the 10-qubit system. Systematic profiling identifies the optimal resource allocation for distributed quantum circuit workloads, yielding a $2.52\times$ speedup for the configurations studied.

quant-ph↗

arXiv2025

UWB Radar-based Heart Rate Monitoring: A Transfer Learning Approach

Radar technology presents untapped potential for continuous, contactless, and passive heart rate monitoring via consumer electronics like mobile phones. However the variety of available radar systems and lack of standardization means that a large new paired dataset collection is required for each radar system. This study demonstrates transfer learning between frequency-modulated continuous wave (FMCW) and impulse-radio ultra-wideband (IR-UWB) radar systems, both increasingly integrated into consumer devices. FMCW radar utilizes a continuous chirp, while IR-UWB radar employs short pulses. Our mm-wave FMCW radar operated at 60 GHz with a 5.5 GHz bandwidth (2.7 cm resolution, 3 receiving antennas [Rx]), and our IR-UWB radar at 8 GHz with a 500 MHz bandwidth (30 cm resolution, 2 Rx). Using a novel 2D+1D ResNet architecture we achieved a mean absolute error (MAE) of 0.85 bpm and a mean absolute percentage error (MAPE) of 1.42% for heart rate monitoring with FMCW radar (N=119 participants, an average of 8 hours per participant). This model maintained performance (under 5 MAE/10% MAPE) across various body positions and heart rate ranges, with a 98.9% recall. We then fine-tuned a variant of this model, trained on single-antenna and single-range bin FMCW data, using a small (N=376, avg 6 minutes per participant) IR-UWB dataset. This transfer learning approach yielded a model with MAE 4.1 bpm and MAPE 6.3% (97.5% recall), a 25% MAE reduction over the IR-UWB baseline. This demonstration of transfer learning between radar systems for heart rate monitoring has the potential to accelerate its introduction into existing consumer devices.

eess.SP↗

arXiv2025

Quantum simulation of CO$_2$ chemisorption in an amine-functionalized metal-organic framework

We perform a series of calculations using simulated QPUs, accelerated by the NVIDIA CUDA-Q platform, focusing on a molecular analog of an amine-functionalized metal-organic framework (MOF), a promising class of materials for CO$_2$ capture. The variational quantum eigensolver (VQE) technique is employed, utilizing both the unitary coupled-cluster method with singles and doubles (UCCSD) and adaptive ans\"atze within active spaces extracted from the larger material system. We explore active spaces of (6e,6o), (8e,8o), and (10e,10o), corresponding to 12, 16, and 20 qubits, respectively, and simulate them using CUDA-Q's GPU-accelerated state-vector simulator. Gate fusion is shown to decrease circuit evaluation time by 2-3$\times$, while parameter shift decreases the number of epochs required for variational convergence. The ADAPT-VQE method decreases both the number of epochs required for convergence and reduces the number of circuit parameters across all active spaces, at the cost of an increased number of circuit evaluations. Combining ADAPT-VQE with the 1- and 2-electron integrals from a CASSCF calculation recovers more correlation energy, at the cost of increased computational time. The CO$_2$ binding energy is computed, and we observe and discuss how increasing the active space size can lead to uneven recovery of correlation energy, making the predicted binding energies variable, even positive (\textit{i.e.}, energetically unfavorable) in some instances. This can be partially remedied by using an alternative approach to computing the binding energy that more evenly spreads the active space. This work explores the application of VQE to a novel material system using simulated QPUs and provides some insight into various consideration when performing these types of calculations, ultimately highlighting the challenges of studying chemisorption on near-term quantum machines.

physics.chem-ph↗

arXiv2024

How to Build a Quantum Supercomputer: Scaling from Hundreds to Millions of Qubits

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. Nevertheless, there are significant outstanding challenges in quantum hardware, fabrication, software architecture, and algorithms on the path towards a full-stack scalable quantum computing technology. Here, we provide a comprehensive review of these scaling challenges. We show how to facilitate scaling by adopting existing semiconductor technology to build much higher-quality qubits, employing systems engineering approaches, and performing distributed heterogeneous quantum-classical computing. We provide a detailed resource and sensitivity analysis for quantum applications 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. We provide comprehensive resource estimates for several utility-scale applications including quantum chemistry calculations, catalyst design, NMR spectroscopy, and Fermi-Hubbard simulation. We show that orders of magnitude enhancement in performance could be obtained by a combination of hardware improvements and tight quantum-HPC integration. Furthermore, we introduce high-performance architectures for quantum-probabilistic computing with custom-designed accelerators to tackle today's industry-scale classical optimization, machine learning, and quantum simulation tasks in a cost-effective manner.

quant-ph↗

arXiv2024

Artificial Intelligence for Quantum Computing

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering, including the nascent field of quantum computing (QC). The counterintuitive nature and high-dimensional mathematics of QC make it a prime candidate for AI's data-driven learning capabilities, and in fact, many of QC's biggest scaling challenges may ultimately rest on developments in AI. However, bringing leading techniques from AI to QC requires drawing on disparate expertise from arguably two of the most advanced and esoteric areas of computer science. Here we aim to encourage this cross-pollination by reviewing how state-of-the-art AI techniques are already advancing challenges across the hardware and software stack needed to develop useful QC - from device design to applications. We then close by examining its future opportunities and obstacles in this space.

quant-ph↗

arXiv2024

Efficient charge-preserving excited state preparation with variational quantum algorithms

Determining the spectrum and wave functions of excited states of a system is crucial in quantum physics and chemistry. Low-depth quantum algorithms, such as the Variational Quantum Eigensolver (VQE) and its variants, can be used to determine the ground-state energy. However, current approaches to computing excited states require numerous controlled unitaries, making the application of the original Variational Quantum Deflation (VQD) algorithm to problems in chemistry or physics suboptimal. In this study, we introduce a charge-preserving VQD (CPVQD) algorithm, designed to incorporate symmetry and the corresponding conserved charge into the VQD framework. This results in dimension reduction, significantly enhancing the efficiency of excited-state computations. We present benchmark results with GPU-accelerated simulations using systems up to 24 qubits, showcasing applications in high-energy physics, nuclear physics, and quantum chemistry. This work is performed on NERSC's Perlmutter system using NVIDIA's open-source platform for accelerated quantum supercomputing - CUDA-Q.

quant-ph↗

arXiv2024

Quantum-Inspired Fluid Simulation of 2D Turbulence with GPU Acceleration

Tensor network algorithms can efficiently simulate complex quantum many-body systems by utilizing knowledge of their structure and entanglement. These methodologies have been adapted recently for solving the Navier-Stokes equations, which describe a spectrum of fluid phenomena, from the aerodynamics of vehicles to weather patterns. Within this quantum-inspired paradigm, velocity is encoded as matrix product states (MPS), effectively harnessing the analogy between interscale correlations of fluid dynamics and entanglement in quantum many-body physics. This particular tensor structure is also called quantics tensor train (QTT). By utilizing NVIDIA's cuQuantum library to perform parallel tensor computations on GPUs, our adaptation speeds up simulations by up to 12.1 times. This allows us to study the algorithm in terms of its applicability, scalability, and performance. By simulating two qualitatively different but commonly encountered 2D flow problems at high Reynolds numbers up to $1\times10^7$ using a fourth-order time stepping scheme, we find that the algorithm has a potential advantage over direct numerical simulations in the turbulent regime as the requirements for grid resolution increase drastically. In addition, we derive the scaling $\chi=\mathcal{O}(\text{poly}(1/\epsilon))$ for the maximum bond dimension $\chi$ of MPS representing turbulent flow fields, with an error $\epsilon$, based on the spectral distribution of turbulent kinetic energy. Our findings motivate further exploration of related quantum algorithms and other tensor network methods.

physics.flu-dyn↗

arXiv2024

Crowdsourcing Dermatology Images with Google Search Ads: Creating a Real-World Skin Condition Dataset

Background: Health datasets from clinical sources do not reflect the breadth and diversity of disease in the real world, impacting research, medical education, and artificial intelligence (AI) tool development. Dermatology is a suitable area to develop and test a new and scalable method to create representative health datasets. Methods: We used Google Search advertisements to invite contributions to an open access dataset of images of dermatology conditions, demographic and symptom information. With informed contributor consent, we describe and release this dataset containing 10,408 images from 5,033 contributions from internet users in the United States over 8 months starting March 2023. The dataset includes dermatologist condition labels as well as estimated Fitzpatrick Skin Type (eFST) and Monk Skin Tone (eMST) labels for the images. Results: We received a median of 22 submissions/day (IQR 14-30). Female (66.72%) and younger (52% < age 40) contributors had a higher representation in the dataset compared to the US population, and 32.6% of contributors reported a non-White racial or ethnic identity. Over 97.5% of contributions were genuine images of skin conditions. Dermatologist confidence in assigning a differential diagnosis increased with the number of available variables, and showed a weaker correlation with image sharpness (Spearman's P values <0.001 and 0.01 respectively). Most contributions were short-duration (54% with onset < 7 days ago ) and 89% were allergic, infectious, or inflammatory conditions. eFST and eMST distributions reflected the geographical origin of the dataset. The dataset is available at github.com/google-research-datasets/scin . Conclusion: Search ads are effective at crowdsourcing images of health conditions. The SCIN dataset bridges important gaps in the availability of representative images of common skin conditions.

cs.CY↗

arXiv2024

The generative quantum eigensolver (GQE) and its application for ground state search

We introduce the generative quantum eigensolver (GQE), a new quantum computational framework that operates outside the variational quantum algorithm paradigm by applying classical generative models to quantum simulation. The GQE algorithm optimizes a classical generative model to produce quantum circuits with desired properties. Here, we develop a transformer-based implementation, which we name the generative pre-trained transformer-based (GPT) quantum eigensolver (GPT-QE). We show a proof-of-concept of training and pretraining of GPT-QE applied to electronic structure Hamiltonians, and demonstrate its ability illustrated by surpassing coupled cluster singles and doubles (CCSD) for the strong bond dissociation of the nitrogen molecule and approaching chemical accuracy. We also demonstrate the method on real quantum hardware.

quant-ph↗

arXiv2023

MobileASR: A resource-aware on-device learning framework for user voice personalization applications on mobile phones

We describe a comprehensive methodology for developing user-voice personalized automatic speech recognition (ASR) models by effectively training models on mobile phones, allowing user data and models to be stored and used locally. To achieve this, we propose a resource-aware sub-model-based training approach that considers the RAM, and battery capabilities of mobile phones. By considering the evaluation metric and resource constraints of the mobile phones, we are able to perform efficient training and halt the process accordingly. To simulate real users, we use speakers with various accents. The entire on-device training and evaluation framework was then tested on various mobile phones across brands. We show that fine-tuning the models and selecting the right hyperparameter values is a trade-off between the lowest achievable performance metric, on-device training time, and memory consumption. Overall, our methodology offers a comprehensive solution for developing personalized ASR models while leveraging the capabilities of mobile phones, and balancing the need for accuracy with resource constraints.

eess.AS↗

arXiv2022

A quantum generative model for multi-dimensional time series using Hamiltonian learning

Synthetic data generation has proven to be a promising solution for addressing data availability issues in various domains. Even more challenging is the generation of synthetic time series data, where one has to preserve temporal dynamics, i.e., the generated time series must respect the original relationships between variables across time. Recently proposed techniques such as generative adversarial networks (GANs) and quantum-GANs lack the ability to attend to the time series specific temporal correlations adequately. We propose using the inherent nature of quantum computers to simulate quantum dynamics as a technique to encode such features. We start by assuming that a given time series can be generated by a quantum process, after which we proceed to learn that quantum process using quantum machine learning. We then use the learned model to generate out-of-sample time series and show that it captures unique and complex features of the learned time series. We also study the class of time series that can be modeled using this technique. Finally, we experimentally demonstrate the proposed algorithm on an 11-qubit trapped-ion quantum machine.

quant-ph↗

arXiv2021

Training end-to-end speech-to-text models on mobile phones

Training the state-of-the-art speech-to-text (STT) models in mobile devices is challenging due to its limited resources relative to a server environment. In addition, these models are trained on generic datasets that are not exhaustive in capturing user-specific characteristics. Recently, on-device personalization techniques have been making strides in mitigating the problem. Although many current works have already explored the effectiveness of on-device personalization, the majority of their findings are limited to simulation settings or a specific smartphone. In this paper, we develop and provide a detailed explanation of our framework to train end-to-end models in mobile phones. To make it simple, we considered a model based on connectionist temporal classification (CTC) loss. We evaluated the framework on various mobile phones from different brands and reported the results. We provide enough evidence that fine-tuning the models and choosing the right hyperparameter values is a trade-off between the lowest WER achievable, training time on-device, and memory consumption. Hence, this is vital for a successful deployment of on-device training onto a resource-limited environment like mobile phones. We use training sets from speakers with different accents and record a 7.6% decrease in average word error rate (WER). We also report the associated computational cost measurements with respect to time, memory usage, and cpu utilization in mobile phones in real-time.

eess.AS↗

arXiv2021

Implementation of efficient quantum search algorithms on NISQ computers

Despite the advent of Grover's algorithm for the unstructured search, its successful implementation on near-term quantum devices is still limited. We apply three strategies to reduce the errors associated with implementing quantum search algorithms. Our improved search algorithms have been implemented on the IBM quantum processors. Using them, we demonstrate three- and four-qubit search algorithm with higher average success probabilities compared to previous works. We present the successful execution of the five-qubit search on the IBM quantum processor for the first time. The results have been benchmarked using degraded ratio, which is the ratio between the experimental and the theoretical success probabilities. The fast decay of the degraded ratio supports our divide-and-conquer strategy. Our proposed strategies are also useful for implementation of quantum search algorithms in the post-NISQ era.

quant-ph↗

arXiv2020

Quantum amplitude estimation algorithms on IBM quantum devices

Since the publication of the Quantum Amplitude Estimation (QAE) algorithm by Brassard et al., 2002, several variations have been proposed, such as Aaronson et al., 2019, Grinko et al., 2019, and Suzuki et al., 2020. The main difference between the original and the variants is the exclusion of Quantum Phase Estimation (QPE) by the latter. This difference is notable given that QPE is the key component of original QAE, but is composed of many operations considered expensive for the current NISQ era devices. We compare two recently proposed variants (Grinko et al., 2019 and Suzuki et al., 2020) by implementing them on the IBM Quantum device using Qiskit, an open source framework for quantum computing. We analyze and discuss advantages of each algorithm from the point of view of their implementation and performance on a quantum computer.

quant-ph↗

arXiv2020

Comparison of Amplitude Estimation Algorithms by Implementation

Since the quantum amplitude estimation (QAE) was invented by Brassard et al., 2002, several advanced algorithms have recently been published (Grinko et al., 2019, Aaronson et al, and Suzuki et al., 2020). The main difference between the variants and the original algorithm is that the variants do not need quantum phase estimation (QPE), a key component of the canonical QAE (Brassard et al., 2002), that is composed of many expensive operations on NISQ devices. In this paper, we compare and analyze two of these new QAE approaches (Grinko et al., 2019, and Suzuki et al., 2020) by implementation using the Qiskit package. The comparisons are drawn based on number of oracle queries, quantum circuit depth, and other complexities of implementation for a fixed accuracy. We discuss the strengths and limitations of each algorithm from a computational perspective.

quant-ph↗