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Patrick Gelß

Publications and source records attributed to Patrick Gelß.

At least 19 recordsLinked to original sources

Scalable Lindblad Noise Learning via Stochastic Tensor-Network Simulation

Learning dissipation rates in large-scale open quantum systems is a major obstacle for near-term quantum technologies, as existing Lindblad estimation methods are typically limited to small system sizes due to the computational complexity of repeatedly solving the Lindblad equation during optimization. Here, we propose a scalable noise-learning framework for Lindblad dissipation rates that combines a stochastic simulation method, the Tensor Jump Method (TJM), with gradient-free optimization of a least-squares cost-function defined on time series of local-observable expectation values. We demonstrate the approach on two noise models in the Ising model: a site-resolved (local) model, in which independent dissipation rates are learned for each site up to $N_{\mathrm{site}}=16$, and a spatially homogeneous (global) model with only seven parameters, scaled to $N_{\mathrm{site}}=160$ sites.We complement these numerical results with a series of exact, provable guarantees: the Frobenius variance of the TJM density-matrix estimator is shown to equal $(1-\mathrm{Tr}[ρ^2])/N_{\mathrm{traj}}$, an exact purity-based characterization of the stochastic estimation error; the corresponding purity evolution is proven to be monotonically non-increasing for Hermitian jump operators; and, under a finite covariance distance assumption, the standard deviation of the cost-function is shown to decrease with system size, so that fewer trajectories are needed to reach a fixed target accuracy as the system grows. Together, this combination of scalable numerics and rigorous theoretical guarantees positions TJM-based noise learning as a practical foundation for characterizing dissipation in large quantum devices and for guiding future work on error mitigation and quantum error correction.

quant-ph

On low-rank tensor train approximability for linear nearest neighbor systems

Low-rank tensor methods are an important tool in the numerical treatment of equations with a high-dimensional state space. Nearest neighbor interaction systems like the Ising model or more general Markov jump processes, as well as 1D finite-state quantum systems are examples of such problems. While low-rank tensor train/matrix product state models have been shown to be highly efficient for the simulation of such systems, providing theoretical justification for this remains a challenging task. One approach for obtaining estimates on required ranks for certain accuracies is to investigate the rank increase in Krylov subspace methods for solving the problem at hand. In the context of area laws for ground states of 1D spin systems, nontrivial results on rank-increasing properties of nearest neighbor operator polynomials have been obtained in work of Arad et al. [arXiv:1301.1162] by studying the partial commutativity of local operators. In the present work, this technique is applied to polynomial methods for definite linear equations and dissipative linear ODEs with nearest neighbor structure. This allows to derive corresponding low-rank approximability statements for solutions of such problems which are independent of the system size. Numerical simulations of high-dimensional nearest neighbor systems illustrate the theoretical findings.

math.NA

The Weight Distribution of the Third-Order Reed-Muller Code of Length 2048

We compute the weight distribution of the third-order Reed--Muller code RM(3,11) of length 2048. The weight enumerator is assembled from the coset weight enumerators of f+RM(2,10), evaluated for representatives of all 3691560 nonzero GL(10,2)-orbits of Boolean cubic forms in ten variables. The computation rests on a structural theorem: a nondegenerate Boolean cubic form admits a nondegenerate hyperplane restriction, except for a single orbit in each odd dimension. The same pass determines the second-order nonlinearity of every cubic form: the relative covering radius of RM(2,10) in RM(3,10) is 408, attained on 179 orbits. This raises the best known lower bound on the covering radius of RM(2,10) from 400 to 408. A complementary heuristic search shows that the relative covering radius of RM(6,10) in RM(7,10) is at most 32, improving the previous bound of 50.

cs.IT

Classification of Boolean Cubic Forms in Ten Variables

We classify Boolean cubic forms in ten variables up to GL(10,2)-equivalence. The catalog contains all 3691560 nonzero orbits. For every orbit we provide a representative with small monomial count, the stabilizer order, and the alternating rank together with an explicit decomposition. The classification is obtained by rank-stratified enumeration. We verify completeness by the Burnside orbit count and independently by the orbit--stabilizer identity. We also provide a fast, complete GL(10,2)-invariant. By polarization, this gives the first complete classification of alternating trilinear forms in dimension 10 over GF(2).

math.NT

Graph Isomorphism: Mixed-Integer Convex Optimization from First-Order Methods

The graph isomorphism (GI) problem, which asks whether two graphs are structurally identical, occupies a unique position in computational complexity -- it is neither known to be solvable in polynomial time, nor proven to be NP-complete. We propose a convex mixed-integer formulation of the problem and leverage first-order convex optimization to tackle it, following a stream of recent work on optimization-driven graph isomorphism detection. We strengthen our formulation with variable fixing techniques that prove highly effective while preserving the polyhedral structure. We perform extensive computations evaluating the performance of different families of methods including a mixed-integer convex formulation, mixed-integer linear optimization, local search and spectral heuristics over a collection of challenging GI instances. We find that a high level of symmetry is beneficial for optimization-based methods. On the other hand, presolving techniques that detect local substructures to fix variables are crucial for asymmetric instances. The proposed method outperforms the second best approach, the integer feasibility approach, on 6 of the 12 graphs families and is on par with it on symmetric families.

math.OC

Numerical approximation of the Koopman-von Neumann equation: Operator learning and quantum computing

The Koopman-von Neumann equation describes the evolution of wavefunctions associated with autonomous ordinary differential equations and can be regarded as a quantum physics-inspired formulation of classical mechanics. The main advantage compared to conventional transfer operators such as Koopman and Perron-Frobenius operators is that the Koopman-von Neumann operator is unitary even if the dynamics are non-Hamiltonian. Projecting this operator onto a finite-dimensional subspace allows us to represent it by a unitary matrix, which in turn can be expressed as a quantum circuit. We will exploit relationships between the Koopman-von Neumann framework and classical transfer operators in order to derive numerical methods to approximate the Koopman-von Neumann operator and its eigenvalues and eigenfunctions from data. Furthermore, we will show that the choice of basis functions and domain are crucial to ensure that the operator is well-defined. We will illustrate the results with the aid of guiding examples, including simple undamped and damped oscillators and the Lotka-Volterra model.

math.DS

Tensor Decomposition for Non-Clifford Gate Minimization

Fault-tolerant quantum computation requires minimizing non-Clifford gates, whose implementation via magic state distillation dominates the resource costs. While $T$-count minimization is well-studied, dedicated $CCZ$ factories shift the natural target to direct Toffoli minimization. We develop algebraic methods for this problem, building on a connection between Toffoli count and tensor decomposition over $\mathbb{F}_2$. On standard benchmarks, these methods match or improve all reported results for both Toffoli and $T$-count, with most circuits completing in under a minute on a single CPU instead of thousands of TPUs used by prior work.

quant-ph

Faster Algorithms for Structured Matrix Multiplication via Flip Graph Search

We give explicit low-rank bilinear non-commutative schemes for multiplying structured $n \times n$ matrices with $2 \leq n \leq 5$, which serve as building blocks for recursive algorithms with improved multiplicative factors in asymptotic complexity. Our schemes are discovered over $\mathbb{F}_2$ or $\mathbb{F}_3$ and lifted to $\mathbb{Z}$ or $\mathbb{Q}$. Using a flip graph search over tensor decompositions, we derive schemes for general, upper-triangular, lower-triangular, symmetric, and skew-symmetric inputs, as well as products of a structured matrix with its transpose. These schemes improve asymptotic constants for 13 of 15 structured formats. In particular, we obtain $4 \times 4$ rank-34 schemes for both multiplying a general matrix by its transpose and an upper-triangular matrix by a general matrix, improving the asymptotic factor from 8/13 (0.615) to 22/37 (0.595). Additionally, using $\mathbb{F}_3$ flip graphs, we discover schemes over $\mathbb{Q}$ that fundamentally require the inverse of 2, including a $2 \times 2$ symmetric-symmetric multiplication of rank 5 and a $3 \times 3$ skew-symmetric-general multiplication of rank 14 (improving upon AlphaTensor's 15).

cs.SC

Large-scale stochastic simulation of open quantum systems

Understanding the precise interaction mechanisms between quantum systems and their environment is crucial for advancing stable quantum technologies, designing reliable experimental frameworks, and building accurate models of real-world phenomena. However, simulating open quantum systems, which feature complex non-unitary dynamics, poses significant computational challenges that require innovative methods to overcome. In this work, we introduce the tensor jump method (TJM), a scalable, embarrassingly parallel algorithm for stochastically simulating large-scale open quantum systems, specifically Markovian dynamics captured by Lindbladians. This method is built on three core principles where, in particular, we extend the Monte Carlo wave function (MCWF) method to matrix product states, use a dynamic time-dependent variational principle (TDVP) to significantly reduce errors during time evolution, and introduce what we call a sampling MPS to drastically reduce the dependence on the simulation's time step size. We demonstrate that this method scales more effectively than previous methods and ensures convergence to the Lindbladian solution independent of system size, which we show both rigorously and numerically. Finally, we provide evidence of its utility by simulating Lindbladian dynamics of XXX Heisenberg models up to a thousand spins using a consumer-grade CPU. This work represents a significant step forward in the simulation of large-scale open quantum systems, with the potential to enable discoveries across various domains of quantum physics, particularly those where the environment plays a fundamental role, and to both dequantize and facilitate the development of more stable quantum hardware.

quant-ph

Workflow-Driven Modeling for the Compute Continuum: An Optimization Approach to Automated System and Workload Scheduling

The convergence of IoT, Edge, Cloud, and HPC technologies creates a compute continuum that merges cloud scalability and flexibility with HPC's computational power and specialized optimizations. However, integrating cloud and HPC resources often introduces latency and communication overhead, which can hinder the performance of tightly coupled parallel applications. Additionally, achieving seamless interoperability between cloud and on-premises HPC systems requires advanced scheduling, resource management, and data transfer protocols. Consequently, users must manually allocate complex workloads across heterogeneous resources, leading to suboptimal task placement and reduced efficiency due to the absence of an automated scheduling mechanism. To overcome these challenges, we introduce a comprehensive framework based on rigorous system and workload modeling for the compute continuum. Our method employs established tools and techniques to optimize workload mapping and scheduling, enabling the automatic orchestration of tasks across both cloud and HPC infrastructures. Experimental evaluations reveal that our approach could optimally improve scheduling efficiency, reducing execution times, and enhancing resource utilization. Specifically, our MILP-based solution achieves optimal scheduling and makespan for small-scale workflows, while heuristic methods offer up to 99% faster estimations for large-scale workflows, albeit with a 5-10% deviation from optimal results. Our primary contribution is a robust system and workload modeling framework that addresses critical gaps in existing tools, paving the way for fully automated orchestration in HPC-compute continuum environments.

cs.DC

Continuous optimization methods for the graph isomorphism problem

The graph isomorphism problem looks deceptively simple, but although polynomial-time algorithms exist for certain types of graphs such as planar graphs and graphs with bounded degree or eigenvalue multiplicity, its complexity class is still unknown. Information about potential isomorphisms between two graphs is contained in the eigenvalues and eigenvectors of their adjacency matrices. However, symmetries of graphs often lead to repeated eigenvalues so that associated eigenvectors are determined only up to basis rotations, which complicates graph isomorphism testing. We consider orthogonal and doubly stochastic relaxations of the graph isomorphism problem, analyze the geometric properties of the resulting solution spaces, and show that their complexity increases significantly if repeated eigenvalues exist. By restricting the search space to suitable subspaces, we derive an efficient Frank-Wolfe based continuous optimization approach for detecting isomorphisms. We illustrate the efficacy of the algorithm with the aid of various highly symmetric graphs.

cs.DM

Quantum dynamics of coupled excitons and phonons in chain-like systems: tensor train approaches and higher-order propagators

We investigate tensor-train approaches to the solution of the time-dependent Schrödinger equation for chain-like quantum systems with on-site and nearest-neighbor interactions only. Using efficient low-rank tensor train representations, we aim at reducing memory consumption and computational costs. As an example, coupled excitons and phonons modeled in terms of Fröhlich-Holstein type Hamiltonians are studied here. By comparing our tensor-train based results with semi-analytical results, we demonstrate the key role of the ranks of the quantum state vectors. Typically, an excellent quality of the solutions is found only when the maximum number of ranks exceeds a certain value. One class of propagation schemes builds on splitting the Hamiltonian into two groups of interleaved nearest-neighbor interactions commutating within each of the groups. In particular, the 4-th order Yoshida-Neri and the 8-th order Kahan-Li symplectic composition yield results close to machine precision. Similar results are found for 4-th and 8-th order global Krylov scheme. However, the computational effort currently restricts the use of these four propagators to rather short chains which also applies to propagators based on the time-dependent variational principle, typically used for matrix product states. Yet another class of propagators involves explicit, time-symmetrized Euler integrators. Especially the 4-th order variant is recommended for quantum simulations of longer chains, even though the high precision of the splitting schemes cannot be reached. Moreover, the scaling of the computational effort with the dimensions of the local Hilbert spaces is much more favorable for the differencing than for splitting or variational schemes.

quant-ph

Existence and Uniqueness of Solutions of the Koopman--von Neumann Equation on Bounded Domains

The Koopman--von Neumann equation describes the evolution of a complex-valued wavefunction corresponding to the probability distribution given by an associated classical Liouville equation. Typically, it is defined on the whole Euclidean space. The investigation of bounded domains, particularly in practical scenarios involving quantum-based simulations of dynamical systems, has received little attention so far. We consider the Koopman--von Neumann equation associated with an ordinary differential equation on a bounded domain whose trajectories are contained in the set's closure. Our main results are the construction of a strongly continuous semigroup together with the existence and uniqueness of solutions of the associated initial value problem. To this end, a functional-analytic framework connected to Sobolev spaces is proposed and analyzed. Moreover, the connection of the Koopman--von Neumann framework to transport equations is highlighted.

math.AP

Fredholm integral equations for function approximation and the training of neural networks

We present a novel and mathematically transparent approach to function approximation and the training of large, high-dimensional neural networks, based on the approximate least-squares solution of associated Fredholm integral equations of the first kind by Ritz-Galerkin discretization, Tikhonov regularization and tensor-train methods. Practical application to supervised learning problems of regression and classification type confirm that the resulting algorithms are competitive with state-of-the-art neural network-based methods.

math.NA

Improved local models and new Bell inequalities via Frank-Wolfe algorithms

In Bell scenarios with two outcomes per party, we algorithmically consider the two sides of the membership problem for the local polytope: constructing local models and deriving separating hyperplanes, that is, Bell inequalities. We take advantage of the recent developments in so-called Frank-Wolfe algorithms to significantly increase the convergence rate of existing methods. As an application, we study the threshold value for the nonlocality of two-qubit Werner states under projective measurements. Here, we improve on both the upper and lower bounds present in the literature. Importantly, our bounds are entirely analytical; moreover, they yield refined bounds on the value of the Grothendieck constant of order three: $1.4367\leqslant K_G(3)\leqslant1.4546$. We also demonstrate the efficiency of our approach in multipartite Bell scenarios, and present the first local models for all projective measurements with visibilities noticeably higher than the entanglement threshold. We make our entire code accessible as a Julia library called BellPolytopes.jl.

quant-ph

WaveTrain: A Python Package for Numerical Quantum Mechanics of Chain-Like Systems Based on Tensor Trains

WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only. The Python package is centered around tensor train (TT, or matrix product) format representations of Hamiltonian operators and (stationary or time-evolving) state vectors. It builds on the Python tensor train toolbox Scikit-tt, which provides efficient construction methods and storage schemes for the TT format. Its solvers for eigenvalue problems and linear differential equations are used in WaveTrain for the time-independent and time-dependent Schroedinger equations, respectively. Employing efficient decompositions to construct low-rank representations, the tensor-train ranks of state vectors are often found to depend only marginally on the chain length N. This results in the computational effort growing only slightly more than linearly with N, thus mitigating the curse of dimensionality. As a complement to the classes for full quantum mechanics, WaveTrain also contains classes for fully classical and mixed quantum-classical (Ehrenfest or mean field) dynamics of bipartite systems. The graphical capabilities allow visualization of quantum dynamics on the fly, with a choice of several different representations based on reduced density matrices. Even though developed for treating quasi one-dimensional excitonic energy transport in molecular solids or conjugated organic polymers, including coupling to phonons, WaveTrain can be used for any kind of chain-like quantum systems, with or without periodic boundary conditions, and with NN interactions only.

quant-ph

Low-rank tensor decompositions of quantum circuits

Quantum computing is arguably one of the most revolutionary and disruptive technologies of this century. Due to the ever-increasing number of potential applications as well as the continuing rise in complexity, the development, simulation, optimization, and physical realization of quantum circuits is of utmost importance for designing novel algorithms. We show how matrix product states (MPSs) and matrix product operators (MPOs) can be used to express certain quantum states, quantum gates, and entire quantum circuits as low-rank tensors. This enables the analysis and simulation of complex quantum circuits on classical computers and to gain insight into the underlying structure of the system. We present different examples to demonstrate the advantages of MPO formulations and show that they are more efficient than conventional techniques if the bond dimensions of the wave function representation can be kept small throughout the simulation.

quant-ph

Solving the time-independent Schrödinger equation for chains of coupled excitons and phonons using tensor trains

We demonstrate how to apply the tensor-train format to solve the time-independent Schrödinger equation for quasi one-dimensional excitonic chain systems with and without periodic boundary conditions. The coupled excitons and phonons are modeled by Frenkel-Holstein type Hamiltonians with on-site and nearest-neighbor interactions only. We reduce the memory consumption as well as the computational costs significantly by employing efficient decompositions to construct low rank tensor-train representations, thus mitigating the curse of dimensionality. In order to compute also higher quantum states, we introduce an approach which directly incorporates the Wielandt deflation technique into the alternating linear scheme for the solution of eigenproblems. Besides systems with coupled excitons and phonons, we also investigate uncoupled problems for which (semi-)analytical results exist. There, we find that in case of homogeneous systems the tensor-train ranks of state vectors only marginally depend on the chain length which results in a linear growth of the storage consumption. However, the CPU time increases slightly faster with the chain length than the storage consumption because the alternating linear scheme adopted in our work requires more iterations to achieve convergence for longer chains and a given rank. Finally, we demonstrate that the tensor-train approach to the quantum treatment of coupled excitons and phonons makes it possible to directly tackle the phenomenon of mutual self-trapping. We are able to confirm the main results of the Davydov theory, i.e., the dependence of the wavepacket width and the corresponding stabilization energy on the exciton-phonon coupling strength, though only for a certain range of that parameter. In future work, our approach will allow calculations also beyond the restrictions of the Frenkel-Holstein type Hamiltonians.

physics.comp-ph