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Shree Hari Sureshbabu

Publications and source records attributed to Shree Hari Sureshbabu.

16 recordsLinked to original sources

Faster Algorithms for Multimarginal Optimal Transport

We study constructive discrete multimarginal optimal transport (MOT) among $m$ distributions on $n$ points, where the cost tensor $C$ has $N=n^m$ entries. For additive accuracy $\varepsilon$, let $κ=\max\{1,(\max C-\min C)/\varepsilon\}$. Classically, we give two algorithms that return exactly feasible additive-$\varepsilon$ couplings. A deterministic box--simplex method with rounding runs in $O(m^2Nκ\log N)=\widetilde O(m^3Nκ)$ time, while an exact reduction to positive packing followed by rank-one completion runs in randomized time $\widetilde O(m^2Nκ)$. At fixed $κ$, both match the $Ω(N)$ cost of writing a dense coupling, up to factors in $m$ and logarithms. Quantumly, in the general entry-access model, tensor Sinkhorn followed by sparse recovery returns an exactly feasible additive-$\varepsilon$ coupling as a classical list of $\widetilde O(m^2nκ^2)$ atoms, using $\widetilde O(m^4\sqrt{Nn}\,κ^3)$ coherent cost queries without materializing the tensor. Finally, for fixed $m$ and constant normalized accuracy, we prove sparse-output lower bounds of $\widetildeΩ(N)$ randomized classical queries, even with unrestricted output size, and $\widetildeΩ(\sqrt{Nn})$ quantum queries for outputs with at most $n\operatorname{polylog}(n)$ atoms. Hence, for fixed $m$ and normalized accuracy between $(\log n)^{-O(1)}$ and a sufficiently small constant, explicit sparse MOT construction has query complexity $\widetildeΘ(N)$ classically and $\widetildeΘ(\sqrt{Nn})$ quantumly.

quant-ph↗

From Quantum Tunneling to Classical Optimization through Instantons

We use an instanton-based analysis to show that Path Integral Stochastic Gradient Descent (PISGD), a classical optimization algorithm instantiated from path integral Monte Carlo (PIMC), can inherit the quantum tunneling mechanism. Quantum tunneling is the phenomenon in which a quantum particle passes through a potential barrier that a classical trajectory cannot cross in the same way. This mechanism can contribute to the performance of quantum optimization algorithms, since a common bottleneck in optimization is that the solution becomes trapped in a local minimum, separated from better solutions by a potential barrier. Classical noise-driven optimizers, such as stochastic gradient descent (SGD), have escape times that scale exponentially with the potential barrier height. For quantum tunneling, the escape time is instead exponential in the bounce action, which equals twice the Agmon distance between the two basins. When the barrier is tall but thin, quantum tunneling can allow escaping local minima faster than such classical methods. Remarkably, this scaling is not exclusive to algorithms with genuine quantum dynamics. For PISGD applied to classical nonconvex global optimization, we adapt Kramers' escape-rate theory to path space and obtain the same exponential scaling as quantum tunneling, in terms of the bounce action rather than the barrier height. We confirm this scaling numerically by implementing PISGD for both separable and nonseparable potentials. That said, PISGD retains only incoherent tunneling, since coherence among multiple tunneling paths is absent. Our analysis therefore does not rule out a potential quantum advantage for quantum-tunneling-based algorithms over classical ones in general.

quant-ph↗

Quantum algorithms for orthogonal polynomial transforms

A quantum orthogonal polynomial transform (QOPT) is an algorithmic primitive that maps a superposition of standard basis states $\sum_k α_{k} \ket{k}$ coherently to a basis of normalized univariate polynomials orthogonal with respect to a probability measure $μ(x)$. We provide new discrete and continuous QOPTs for polynomial families in the Askey scheme extending the results for the quantum Hermite transform (Jain et al., STOC'26). Our efficient QOPT algorithms require time $O(\text{polylog}(N, 1/ε))$, where $N$ is the grid size and $ε$ is the error, for the discrete Charlier, Meixner and Krawtchouk transforms and for the integer-order Laguerre transform in the continuous setting. The efficient QOPTs are obtained by uncovering the links between Askey scheme polynomials and Gaussian quantum optical gates and developing a compilation framework for $SU(2)$ and $SU(1,1)$ optical gates on Cartesian grids extending the framework developed by Iyer et al. (arXiv:2602.15180). Further, we reduce the continuous Jacobi transform to the discrete Hahn transform and provide an $O\!\left(N\operatorname{polylog}((N+α+β+1)/ε)\right)$-time Hahn transform, a quadratic speedup over the naive implementation. This is based on a more efficient compilation of the Clebsch--Gordan transform for coupling $\mathrm{SU}(2)$ representations with spins $(j_{1}, j_{2})$. Finally, we develop a new framework for Laguerre transforms for all orders $ν>0$ by fast-forwarding the corresponding radial oscillator using a 3-term chirp decomposition and an efficient algorithm for the Quantum Hankel Transform on a logarithmic grid.

quant-ph↗

Global Multi-Maturity SPX-VIX Calibration Beyond Markovian Stitching

We develop a global framework for joint S&P 500 (SPX)-VIX smile calibration across multiple maturities without the conditional-independence restriction induced by Markovian stitching. Exact local and global feasibility are equivalent: every globally feasible law has a block-preserving SPX-Markovization that leaves each monthly $(S_i,V_i,S_{i+1})$ law unchanged. Nevertheless, stitched laws can form a strict subset of globally feasible path laws because Markovization discards dependence on earlier history beyond the current SPX level. Adjacent smiles therefore cannot identify this dependence, and laws with identical monthly calibrations can price multi-period claims differently. Under the standard Markov reference, relative entropy selects the stitched minimum-information completion; non-Markov dependence requires cross-period information, an appropriate objective, or a history-dependent prior. For finite discretizations, we introduce an augmented-Bregman mirror-descent scheme. It preserves the fit to observable quote moments while controlling martingale and dispersion residuals. In a controlled infeasible affine system, this split keeps prescribed marginals about $25$ times tighter than cyclic row projection by exposing the discrepancy in the conditional rows. An exact finite-state example verifies block preservation and exhibits material cross-period price changes after Markovization. On smoothed SPX and VIX surfaces, numerical calculations illustrate a finite-budget penalty path: the worst fitted-smile error remains below $0.70$ volatility points across the reported sweep while the bulk conditional diagnostics improve substantially.

q-fin.CP↗

Iterative Interpolation Schedules for Quantum Approximate Optimization Algorithm

Quantum Approximate Optimization Algorithm (QAOA) is a promising quantum heuristic with empirical evidence of speedup over classical state-of-the-art for some problems. QAOA uses a parameterized circuit with $p$ layers, where higher $p$ yields better solutions, but requires optimizing $2p$ independent parameters, which is challenging at large $p$. We present an iterative interpolation method that exploits the smoothness of optimal parameter schedules by expressing them in a basis of orthogonal functions, generalizing the work of Zhou et al. By optimizing a small number of basis coefficients and iteratively increasing both circuit depth and coefficient count until convergence, our method constructs high-quality schedules for large $p$. We provide theoretical justification using Jackson's theorem and Lipschitz continuity to bound the required number of basis coefficients for a given accuracy. Our approach achieves better performance with fewer optimization steps than existing methods across three benchmark problems: the Sherrington-Kirkpatrick (SK) model, portfolio optimization, and Low Autocorrelation Binary Sequences (LABS). For the largest LABS instance, we achieve near-optimal merit factors with schedules exceeding 1000 layers, an order of magnitude beyond previous methods. Additionally, we observe that a mild growth in QAOA depth suffices to solve the SK model exactly, a result of independent theoretical interest.

quant-ph↗

Parameter Setting Heuristics Make the Quantum Approximate Optimization Algorithm Suitable for the Early Fault-Tolerant Era

Quantum Approximate Optimization Algorithm (QAOA) is one of the most promising quantum heuristics for combinatorial optimization. While QAOA has been shown to perform well on small-scale instances and to provide an asymptotic speedup over state-of-the-art classical algorithms for some problems, fault-tolerance is understood to be required to realize this speedup in practice. The low resource requirements of QAOA make it particularly suitable to benchmark on early fault-tolerant quantum computing (EFTQC) hardware. However, the performance of QAOA depends crucially on the choice of the free parameters in the circuit. The task of setting these parameters is complicated in the EFTQC era by the large overheads, which preclude extensive classical optimization. In this paper, we summarize recent advances in parameter setting in QAOA and show that these advancements make EFTQC experiments with QAOA practically viable.

quant-ph↗

Prospects of Privacy Advantage in Quantum Machine Learning

Ensuring data privacy in machine learning models is critical, particularly in distributed settings where model gradients are typically shared among multiple parties to allow collaborative learning. Motivated by the increasing success of recovering input data from the gradients of classical models, this study addresses a central question: How hard is it to recover the input data from the gradients of quantum machine learning models? Focusing on variational quantum circuits (VQC) as learning models, we uncover the crucial role played by the dynamical Lie algebra (DLA) of the VQC ansatz in determining privacy vulnerabilities. While the DLA has previously been linked to the classical simulatability and trainability of VQC models, this work, for the first time, establishes its connection to the privacy of VQC models. In particular, we show that properties conducive to the trainability of VQCs, such as a polynomial-sized DLA, also facilitate the extraction of detailed snapshots of the input. We term this a weak privacy breach, as the snapshots enable training VQC models for distinct learning tasks without direct access to the original input. Further, we investigate the conditions for a strong privacy breach where the original input data can be recovered from these snapshots by classical or quantum-assisted polynomial time methods. We establish conditions on the encoding map such as classical simulatability, overlap with DLA basis, and its Fourier frequency characteristics that enable such a privacy breach of VQC models. Our findings thus play a crucial role in detailing the prospects of quantum privacy advantage by guiding the requirements for designing quantum machine learning models that balance trainability with robust privacy protection.

quant-ph↗

The Adjoint Is All You Need: Characterizing Barren Plateaus in Quantum Ansätze

Using tools from the representation theory of compact Lie groups, we formulate a theory of Barren Plateaus (BPs) for parameterized quantum circuits whose observables lie in their dynamical Lie algebra (DLA), a setting that we term Lie algebra Supported Ansatz (LASA). A large variety of commonly used ansätze such as the Hamiltonian Variational Ansatz, Quantum Alternating Operator Ansatz, and many equivariant quantum neural networks are LASAs. In particular, our theory provides, for the first time, the ability to compute the variance of the gradient of the cost function of the quantum compound ansatz. We rigorously prove that, for LASA, the variance of the gradient of the cost function, for a 2-design of the dynamical Lie group, scales inversely with the dimension of the DLA, which agrees with existing numerical observations. In addition, to motivate the applicability of our results for 2-designs to practical settings, we show that rapid mixing occurs for LASAs with polynomial DLA. Lastly, we include potential extensions for handling cases when the observable lies outside of the DLA and the implications of our results.

quant-ph↗

Quantum option pricing via the Karhunen-Loève expansion

We consider the problem of pricing discretely monitored Asian options over $T$ monitoring points where the underlying asset is modeled by a geometric Brownian motion. We provide two quantum algorithms with complexity poly-logarithmic in $T$ and polynomial in $1/ε$, where $ε$ is the additive approximation error. Our algorithms are obtained respectively by using an $O(\log T)$-qubit semi-digital quantum encoding of the Brownian motion that allows for exponentiation of the stochastic process and by analyzing classical Monte Carlo algorithms inspired by the semi-digital encodings. The best quantum algorithm obtained using this approach has complexity $\widetilde{O}(1/ε^{3})$ where the $\widetilde{O}$ suppresses factors poly-logarithmic in $T$ and $1/ε$. The methods proposed in this work generalize to pricing options where the underlying asset price is modeled by a smooth function of a sub-Gaussian process and the payoff is dependent on the weighted time-average of the underlying asset price.

quant-ph↗

Parameter Setting in Quantum Approximate Optimization of Weighted Problems

Quantum Approximate Optimization Algorithm (QAOA) is a leading candidate algorithm for solving combinatorial optimization problems on quantum computers. However, in many cases QAOA requires computationally intensive parameter optimization. The challenge of parameter optimization is particularly acute in the case of weighted problems, for which the eigenvalues of the phase operator are non-integer and the QAOA energy landscape is not periodic. In this work, we develop parameter setting heuristics for QAOA applied to a general class of weighted problems. First, we derive optimal parameters for QAOA with depth $p=1$ applied to the weighted MaxCut problem under different assumptions on the weights. In particular, we rigorously prove the conventional wisdom that in the average case the first local optimum near zero gives globally-optimal QAOA parameters. Second, for $p\geq 1$ we prove that the QAOA energy landscape for weighted MaxCut approaches that for the unweighted case under a simple rescaling of parameters. Therefore, we can use parameters previously obtained for unweighted MaxCut for weighted problems. Finally, we prove that for $p=1$ the QAOA objective sharply concentrates around its expectation, which means that our parameter setting rules hold with high probability for a random weighted instance. We numerically validate this approach on general weighted graphs and show that on average the QAOA energy with the proposed fixed parameters is only $1.1$ percentage points away from that with optimized parameters. Third, we propose a general heuristic rescaling scheme inspired by the analytical results for weighted MaxCut and demonstrate its effectiveness using QAOA with the XY Hamming-weight-preserving mixer applied to the portfolio optimization problem. Our heuristic improves the convergence of local optimizers, reducing the number of iterations by 7.4x on average.

quant-ph↗

Expressive variational quantum circuits provide inherent privacy in federated learning

Federated learning has emerged as a viable distributed solution to train machine learning models without the actual need to share data with the central aggregator. However, standard neural network-based federated learning models have been shown to be susceptible to data leakage from the gradients shared with the server. In this work, we introduce federated learning with variational quantum circuit model built using expressive encoding maps coupled with overparameterized ansätze. We show that expressive maps lead to inherent privacy against gradient inversion attacks, while overparameterization ensures model trainability. Our privacy framework centers on the complexity of solving the system of high-degree multivariate Chebyshev polynomials generated by the gradients of quantum circuit. We present compelling arguments highlighting the inherent difficulty in solving these equations, both in exact and approximate scenarios. Additionally, we delve into machine learning-based attack strategies and establish a direct connection between overparameterization in the original federated learning model and underparameterization in the attack model. Furthermore, we provide numerical scaling arguments showcasing that underparameterization of the expressive map in the attack model leads to the loss landscape being swamped with exponentially many spurious local minima points, thus making it extremely hard to realize a successful attack. This provides a strong claim, for the first time, that the nature of quantum machine learning models inherently helps prevent data leakage in federated learning.

quant-ph↗

Quantum Machine Learning for Chemistry and Physics

Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to conclude that ML and its close cousin deep learning (DL) have ushered unprecedented developments in all areas of physical sciences especially chemistry. Not only the classical variants of ML , even those trainable on near-term quantum hardwares have been developed with promising outcomes. Such algorithms have revolutionzed material design and performance of photo-voltaics, electronic structure calculations of ground and excited states of correlated matter, computation of force-fields and potential energy surfaces informing chemical reaction dynamics, reactivity inspired rational strategies of drug designing and even classification of phases of matter with accurate identification of emergent criticality. In this review we shall explicate a subset of such topics and delineate the contributions made by both classical and quantum computing enhanced machine learning algorithms over the past few years. We shall not only present a brief overview of the well-known techniques but also highlight their learning strategies using statistical physical insight. The objective of the review is to not only to foster exposition to the aforesaid techniques but also to empower and promote cross-pollination among future-research in all areas of chemistry which can benefit from ML and in turn can potentially accelerate the growth of such algorithms.

physics.chem-ph↗

Finite-Size Scaling on a Digital Quantum Simulator using Quantum Restricted Boltzmann Machine

The critical point and the critical exponents for a phase transition can be determined using the Finite-Size Scaling (FSS) analysis. This method assumes that the phase transition occurs only in the infinite size limit. However, there has been a lot of interest recently in quantum phase transitions occuring in finite size systems such as a single two-level system interacting with a single bosonic mode e.g. in the Quantum Rabi Model (QRM). Since, these phase transitions occur at a finite system size, the traditional FSS method is rendered inapplicable for these cases. For cases like this, we propose an alternative FSS method in which the truncation of the system is done in the Hilbert space instead of the physical space. This approach has previously been used to calculate the critical parameters for stability and symmetry breaking of electronic structure configurations of atomic and molecular systems. We calculate the critical point for the quantum phase transition of the QRM using this approach. We also provide a protocol to implement this method on a digital quantum simulator using the Quantum Restricted Boltzmann Machine algorithm. Our work opens up a new direction in the study of quantum phase transitions on quantum devices.

quant-ph↗

Quantum Machine-Learning for Eigenstate Filtration in Two-Dimensional Materials

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure calculations of molecular systems and spin models in magnetic systems. However the discussion in all these recipes focus specifically on targeting the ground state. Herein we demonstrate a quantum algorithm that can filter any energy eigenstate of the system based on either symmetry properties or on a predefined choice of the user. The work horse of our technique is a shallow neural network encoding the desired state of the system with the amplitude computed by sampling the Gibbs- Boltzmann distribution using a quantum circuit and the phase information obtained classically from the non-linear activation of a separate set of neurons. We show that the resource requirements of our algorithm is strictly quadratic. To demonstrate its efficacy, we use state-filtration in monolayer transition metal-dichalcogenides which are hitherto unexplored in any flavor of quantum simulations. We implement our algorithm not only on quantum simulators but also on actual IBM-Q quantum devices and show good agreement with the results procured from conventional electronic structure calculations. We thus expect our protocol to provide a new alternative in exploring band-structures of exquisite materials to usual electronic structure methods or machine learning techniques which are implementable solely on a classical computer

physics.chem-ph↗

Implementation of Quantum Machine Learning for Electronic Structure Calculations of Periodic Systems on Quantum Computing Devices

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve quantum many-body systems and have demonstrated accurate electronic structure calculations of lattice models, molecular systems, and recently periodic systems. A hybrid approach using restricted Boltzmann machines and a quantum algorithm to obtain the probability distribution that can be optimized classically is a promising method due to its efficiency and ease of implementation. Here we implement the benchmark test of the hybrid quantum machine learning on the IBM-Q quantum computer to calculate the electronic structure of typical 2-dimensional crystal structures: hexagonal-Boron Nitride and graphene. The band structures of these systems calculated using the hybrid quantum machine learning are in good agreement with those obtained by the conventional electronic structure calculation. This benchmark result implies that the hybrid quantum machine learning, empowered by quantum computers, could provide a new way of calculating the electronic structures of quantum many-body systems.

physics.comp-ph↗

Introduction of Multi-particle Büttiker Probes -- Bridging the Gap between Drift Diffusion and Quantum Transport

State-of-the-art industrial semiconductor device modeling is based on highly efficient Drift-Diffusion (DD) models that include some quantum corrections for nanodevices. In contrast, latest academic quantum transport models are based on the non-equilibrium Green's function (NEGF) method that cover all coherent and incoherent quantum effects consistently. Carrier recombination and generation in optoelectronic nanodevices represent an immense numerical challenge when solved within NEGF. In this work, the numerically efficient Büttiker-probe model is expanded to include electron-hole recombination and generation in the NEGF framework. Benchmarks of the new multiple-particle Büttiker probe method against state-of-the-art quantum-corrected DD models show quantitative agreements except in cases of pronounced tunneling and interference effects.

physics.app-ph↗