arXiv subjects

Matthias Möller

Publications and source records attributed to Matthias Möller.

At least 37 records · Page 2Linked to original sources

arXiv2024

Solving 1D Poisson problem with a Variational Quantum Linear Solver

Different hybrid quantum-classical algorithms have recently been developed as a near-term way to solve linear systems of equations on quantum devices. However, the focus has so far been mostly on the methods, rather than the problems that they need to tackle. In fact, these algorithms have been run on real hardware only for problems in quantum physics, such as Hamiltonians of a few qubits systems. These problems are particularly favorable for quantum hardware, since their matrices are the sum of just a few unitary terms and since only shallow quantum circuits are required to estimate the cost function. However, for many interesting problems in linear algebra, it appears far less trivial to find an efficient decomposition and to trade it off with the depth of the cost quantum circuits. A first simple yet interesting instance to consider are tridiagonal systems of equations. These arise, for instance, in the discretization of one-dimensional finite element analyses. This work presents a method to solve a class of tridiagonal systems of equations with the variational quantum linear solver (VQLS), a recently proposed variational hybrid algorithm for solving linear systems. In particular, we present a new decomposition for this class of matrices based on both Pauli strings and multi--qubit gates, resulting in less terms than those obtained by just using Pauli gates. Based on this decomposition, we discuss the tradeoff between the number of terms and the near-term implementability of the quantum circuits. Furthermore, we present the first simulated and real-hardware results obtained by solving tridiagonal linear systems with VQLS, using the decomposition proposed.

cs.CE↗

arXiv2024

Quantum-assisted Stacking Sequence Retrieval and Laminated Composite Design

We, the QAIMS lab lab at the Aerospace Faculty of TU Delft, participated as finalists in the Airbus/BMW Quantum Computing Challenge 2024. Stacking sequence retrieval, a complex combinatorial task within a bi-level optimization framework, is crucial for designing laminated composites that meet aerospace requirements for weight, strength, and stiffness. This document presents the scientifically relevant sections of our submission, which builds on our prior research on applying quantum computation to this challenging design problem. For the competition, we expanded our previous work in several significant ways. First, we incorporated a full set of manufacturing constraints into our algorithmic framework, including those previously established theoretically but not yet demonstrated, thereby aligning our approach more closely with real-world manufacturing demands. We implemented the F-VQE algorithm, which enhances the probability shaping of optimal solutions, improving on simpler variational quantum algorithms. Our approach also demonstrates flexibility by accommodating diverse objectives as well as finer ply-angle increments alongside the previously demonstrated conventional ply angles. Scalability was tested using the DMRG algorithm, which, despite limitations in entanglement representation, enabled simulations with up to 200 plies. Results were directly compared to conventional stacking sequence retrieval algorithms with DMRG showing high competitiveness. Given DMRG's limited entanglement capabilities, it serves as a conservative baseline, suggesting potential for even greater performance on fully realized quantum systems. This document serves to make our competition results publicly available as we prepare a formal publication on these findings and their implications for aerospace materials design optimization.

quant-ph↗

arXiv2024

Solving Electromagnetic Scattering Problems by Isogeometric Analysis with Deep Operator Learning

We present a hybrid approach combining isogeometric analysis with deep operator networks to solve electromagnetic scattering problems. The neural network takes a computer-aided design representation as input and predicts the electromagnetic field in a de Rham conforming B-spline basis such that for example the tangential continuity of the electric field is respected. The physical problem is included in the loss function during training. Our numerical results demonstrate that a trained network accurately predicts the electric field, showing convergence to the analytical solution with optimal rate. Additionally, training on a variety of geometries highlights the network's generalization capabilities, achieving small error increases when applied to new geometries not included in the training set.

cs.CE↗

arXiv2024

Quantum Computing and Tensor Networks for Laminate Design: A Novel Approach to Stacking Sequence Retrieval

As with many tasks in engineering, structural design frequently involves navigating complex and computationally expensive problems. A prime example is the weight optimization of laminated composite materials, which to this day remains a formidable task, due to an exponentially large configuration space and non-linear constraints. The rapidly developing field of quantum computation may offer novel approaches for addressing these intricate problems. However, before applying any quantum algorithm to a given problem, it must be translated into a form that is compatible with the underlying operations on a quantum computer. Our work specifically targets stacking sequence retrieval with lamination parameters. To adapt this problem for quantum computational methods, we map the possible stacking sequences onto a quantum state space. We further derive a linear operator, the Hamiltonian, within this state space that encapsulates the loss function inherent to the stacking sequence retrieval problem. Additionally, we demonstrate the incorporation of manufacturing constraints on stacking sequences as penalty terms in the Hamiltonian. This quantum representation is suitable for a variety of classical and quantum algorithms for finding the ground state of a quantum Hamiltonian. For a practical demonstration, we performed state-vector simulations of two variational quantum algorithms and additionally chose a classical tensor network algorithm, the DMRG algorithm, to numerically validate our approach. Although this work primarily concentrates on quantum computation, the application of tensor network algorithms presents a novel quantum-inspired approach for stacking sequence retrieval.

quant-ph↗

arXiv2024

Overdispersion in gate tomography: Experiments and continuous, two-scale random walk model on the Bloch sphere

Noisy intermediate-scale quantum computers (NISQ) are in their childhood, but showing high promise. One main concern for NISQ machines is their inherent noisiness, as the qubit states are subject to disturbances with each algorithmic operation applied. In this study, we conduct experiments on quantum noise. Based on our data, we show that existing noise models fail to properly capture the aggregation of noise effects over an algorithm's runtime. They are underdispersed, meaning that observable frequencies scatter much more between repeated experiments than what the standard assumptions of the binomial distribution allow for. We develop noise model for the readout probabilities as a function of the number of gate operations. The model is based on a continuous random walk on the (Bloch) sphere, where the angular diffusion coefficient characterizes the noisiness of gate operations. We superimpose a second random walk at the scale of multiple readouts to account for overdispersion. The interaction of these two random walks predicts theoretical, runtime-dependent bounds for probabilities. Overall, it is a three-parameter distributional model that fits the data better than the corresponding one-scale model (without overdispersion). We demonstrate the fit and the plausibility of the predicted bounds via Bayesian data-model analysis.

quant-ph↗

arXiv2024

Predicting Open-Hole Laminates Failure Using Support Vector Machines With Classical and Quantum Kernels

Modeling open hole failure of composites is a complex task, consisting in a highly nonlinear response with interacting failure modes. Numerical modeling of this phenomenon has traditionally been based on the finite element method, but requires to tradeoff between high fidelity and computational cost. To mitigate this shortcoming, recent work has leveraged machine learning to predict the strength of open hole composite specimens. Here, we also propose using data-based models but to tackle open hole composite failure from a classification point of view. More specifically, we show how to train surrogate models to learn the ultimate failure envelope of an open hole composite plate under in-plane loading. To achieve this, we solve the classification problem via support vector machine (SVM) and test different classifiers by changing the SVM kernel function. The flexibility of kernel-based SVM also allows us to integrate the recently developed quantum kernels in our algorithm and compare them with the standard radial basis function (RBF) kernel. Finally, thanks to kernel-target alignment optimization, we tune the free parameters of all kernels to best separate safe and failure-inducing loading states. The results show classification accuracies higher than 90% for RBF, especially after alignment, followed closely by the quantum kernel classifiers.

cs.CE↗

arXiv2024

QuAS: Quantum Application Score for benchmarking the utility of quantum computers

Benchmarking quantum computers helps to quantify them and bringing the technology to the market. Various application-level metrics exist to benchmark a quantum device at an application level. This paper presents a revised holistic scoring method called the Quantum Application Score (QuAS) incorporating strong points of previous metrics, such as QPack and the Q-score. We discuss how to integrate both and thereby obtain an application-level metric that better quantifies the practical utility of quantum computers. We evaluate the new metric on different hardware platforms such as D-Wave and IBM as well as quantum simulators of Quantum Inspire and Rigetti.

quant-ph↗

arXiv2024

Boundary parameter matching for isogeometric analysis using Schwarz-Christoffel mapping

Isogeometric analysis has brought a paradigm shift in integrating computational simulations with geometric designs across engineering disciplines. This technique necessitates analysis-suitable parameterization of physical domains to fully harness the synergy between Computer-Aided Design and Computer-Aided Engineering analyses. The existing methods often fix boundary parameters, leading to challenges in elongated geometries such as fluid channels and tubular reactors. This paper presents an innovative solution for the boundary parameter matching problem, specifically designed for analysis-suitable parameterizations. We employ a sophisticated Schwarz-Christoffel mapping technique, which is instrumental in computing boundary correspondences. A refined boundary curve reparameterization process complements this. Our dual-strategy approach maintains the geometric exactness and continuity of input physical domains, overcoming limitations often encountered with the existing reparameterization techniques. By employing our proposed boundary parameter method, we show that even a simple linear interpolation approach can effectively construct a satisfactory analysis-suitable parameterization. Our methodology offers significant improvements over traditional practices, enabling the generation of analysis-suitable and geometrically precise models, which is crucial for ensuring accurate simulation results. Numerical experiments show the capacity of the proposed method to enhance the quality and reliability of isogeometric analysis workflows.

math.NA↗

arXiv2023

A short report on preconditioned Anderson acceleration method

In this report, we present a versatile and efficient preconditioned Anderson acceleration (PAA) method for fixed-point iterations. The proposed framework offers flexibility in balancing convergence rates (linear, super-linear, or quadratic) and computational costs related to the Jacobian matrix. Our approach recovers various fixed-point iteration techniques, including Picard, Newton, and quasi-Newton iterations. The PAA method can be interpreted as employing Anderson acceleration (AA) as its own preconditioner or as an accelerator for quasi-Newton methods when their convergence is insufficient. Adaptable to a wide range of problems with differing degrees of nonlinearity and complexity, the method achieves improved convergence rates and robustness by incorporating suitable preconditioners. We test multiple preconditioning strategies on various problems and investigate a delayed update strategy for preconditioners to further reduce the computational costs.

math.NA↗

arXiv2023

Bring the Noise: Introducing Noise Robustness to Pretrained Automatic Speech Recognition

In recent research, in the domain of speech processing, large End-to-End (E2E) systems for Automatic Speech Recognition (ASR) have reported state-of-the-art performance on various benchmarks. These systems intrinsically learn how to handle and remove noise conditions from speech. Previous research has shown, that it is possible to extract the denoising capabilities of these models into a preprocessor network, which can be used as a frontend for downstream ASR models. However, the proposed methods were limited to specific fully convolutional architectures. In this work, we propose a novel method to extract the denoising capabilities, that can be applied to any encoder-decoder architecture. We propose the Cleancoder preprocessor architecture that extracts hidden activations from the Conformer ASR model and feeds them to a decoder to predict denoised spectrograms. We train our pre-processor on the Noisy Speech Database (NSD) to reconstruct denoised spectrograms from noisy inputs. Then, we evaluate our model as a frontend to a pretrained Conformer ASR model as well as a frontend to train smaller Conformer ASR models from scratch. We show that the Cleancoder is able to filter noise from speech and that it improves the total Word Error Rate (WER) of the downstream model in noisy conditions for both applications.

cs.CL↗

arXiv2023

Gradient descent-based freeform optics design using algorithmic differentiable non-sequential ray tracing

Algorithmic differentiable ray tracing is a new paradigm that allows one to solve the forward problem of how light propagates through an optical system while obtaining gradients of the simulation results with respect to parameters specifying the optical system. Specifically, the use of algorithmically differentiable non-sequential ray tracing provides an opportunity in the field of illumination design. We demonstrate its potential by designing freeform lenses that project a prescribed irradiance distribution onto a plane. The challenge consists in finding a suitable surface geometry of the lens so that the light emitted by a light source is redistributed into a desired irradiance distribution. We discuss the crucial steps allowing the non-sequential ray tracer to be differentiable. The obtained gradients are used to optimize the geometry of the freeform, and we investigate the effectiveness of adding a multi-layer perceptron neural network to the optimization that outputs parameters defining the freeform lens. Lenses are designed for various sources such as collimated ray bundles or point sources, and finally, a grid of point sources approximating an extended source. The obtained lens designs are finally validated using the commercial non-sequential ray tracer LightTools.

physics.optics↗

arXiv2022

QPack Scores: Quantitative performance metrics for application-oriented quantum computer benchmarking

This paper presents the benchmark score definitions of QPack, an application-oriented cross-platform benchmarking suite for quantum computers and simulators, which makes use of scalable Quantum Approximate Optimization Algorithm and Variational Quantum Eigensolver applications. Using a varied set of benchmark applications, an insight of how well a quantum computer or its simulator performs on a general NISQ-era application can be quantitatively made. This paper presents what quantum execution data can be collected and transformed into benchmark scores for application-oriented quantum benchmarking. Definitions are given for an overall benchmark score, as well as sub-scores based on runtime, accuracy, scalability and capacity performance. Using these scores, a comparison is made between various quantum computer simulators, running both locally and on vendors' remote cloud services. We also use the QPack benchmark to collect a small set of quantum execution data of the IBMQ Nairobi quantum processor. The goal of the QPack benchmark scores is to give a holistic insight into quantum performance and the ability to make easy and quick comparisons between different quantum computers

quant-ph↗

arXiv2022

QPack: Quantum Approximate Optimization Algorithms as universal benchmark for quantum computers

In this paper, we present QPack, a universal benchmark for Noisy Intermediate-Scale Quantum (NISQ) computers based on Quantum Approximate Optimization Algorithms (QAOA). Unlike other evaluation metrics in the field, this benchmark evaluates not only one, but multiple important aspects of quantum computing hardware: the maximum problem size a quantum computer can solve, the required runtime, as well as the achieved accuracy. The applications MaxCut, dominating set and traveling salesman are included to provide variation in resource requirements. This will allow for a diverse benchmark that promotes optimal design considerations, avoiding hardware implementations for specific applications. We also discuss the design aspects that are taken in consideration for the QPack benchmark, with critical quantum benchmark requirements in mind. An implementation is presented, providing practical metrics. QPack is presented as a hardware agnostic benchmark by making use of the XACC library. We demonstrate the application of the benchmark on various IBM machines, as well as a range of simulators.

cs.ET↗

arXiv2022

A practical algorithm to minimize the overall error in FEM computations

Using the standard finite element method (FEM) to solve general partial differential equations, the round-off error is found to be proportional to $N^{β_{\rm R}}$, with $N$ the number of degrees of freedom (DoFs) and $β_{\rm R}$ a coefficient. A method which uses a few cheap numerical experiments is proposed to determine the coefficient of proportionality and $β_{\rm R}$ in various space dimensions and FEM packages. Using the coefficients obtained above, the strategy put forward in \cite{liu386balancing} for predicting the highest achievable accuracy $E_{\rm min}$ and the associated optimal number of DoFs $N_{\rm opt}$ for specific problems is extended to general problems. This strategy allows predicting $E_{\rm min}$ accurately for general problems, with the CPU time for obtaining the solution with the highest accuracy $E_{\rm min}$ typically reduced by 60\%--90\%.

math.NA↗

arXiv2021

Goal-Oriented Adaptive THB-Spline Schemes for PDE-Based Planar Parameterization

This paper presents a PDE-based planar parameterization framework with support for Truncated Hierarchical B-Splines (THB-splines). For this, we adopt the a posteriori refinement strategy of Dual Weighted Residual and present several adaptive numerical schemes for the purpose of approximating an inversely harmonic geometry parameterization. Hereby, the combination of goal-oriented a posteriori strategies and THB-enabled local refinement avoids over-refinement, in particular in geometries with complex boundaries. To control the parametric properties of the outcome, we introduce the concept of domain refinement. Hereby, the properties of the domain into which the mapping maps inversely harmonically, are optimized in order to fine-tune the parametric properties of the recomputed geometry parameterization.

math.NA↗

arXiv2021

Combining p-multigrid and multigrid reduced in time methods to obtain a scalable solver for Isogeometric Analysis

Isogeometric Analysis (IgA) has become a viable alternative to the Finite Element Method (FEM) and is typically combined with a time integration scheme within the method of lines for time-dependent problems. However, due to a stagnation of processors clock speeds, traditional (i.e. sequential) time integration schemes become more and more the bottleneck within these large-scale computations, which lead to the development of parallel-in-time methods like the Multigrid Reduced in Time (MGRIT) method. Recently, MGRIT has been succesfully applied by the authors in the context of IgA showing convergence independent of the mesh width, approximation order of the B-spline basis functions and time step size for a variety of benchmark problems. However, a strong dependency of the CPU times on the approximation order was visible when a standard Conjugate Gradient method was adopted for the spatial solves within MGRIT. In this paper we combine MGRIT with a state-of the-art solver (i.e. a p-multigrid method), specifically designed for IgA, thereby significantly reducing the overall computational costs of MGRIT. Furthermore, we investigate the performance of MGRIT and its scalability on modern copmuter architectures.

math.NA↗

arXiv2020

Towards Accuracy and Scalability: Combining Isogeometric Analysis with Deflation to Obtain Scalable Convergence for the Helmholtz Equation

Finding fast yet accurate numerical solutions to the Helmholtz equation remains a challenging task. The pollution error (i.e. the discrepancy between the numerical and analytical wave number k) requires the mesh resolution to be kept fine enough to obtain accurate solutions. A recent study showed that the use of Isogeometric Analysis (IgA) for the spatial discretization significantly reduces the pollution error. However, solving the resulting linear systems by means of a direct solver remains computationally expensive when large wave numbers or multiple dimensions are considered. An alternative lies in the use of (preconditioned) Krylov subspace methods. Recently, the use of the exact Complex Shifted Laplacian Preconditioner (CSLP) with a small complex shift has shown to lead to wave number independent convergence while obtaining more accurate numerical solutions using IgA. In this paper, we propose the use of deflation techniques combined with an approximated inverse of the CSLP using a geometric multigrid method. Numerical results obtained for both one- and two-dimensional model problems, including constant and non-constant wave numbers, show scalable convergence with respect to the wave number and approximation order p of the spatial discretization. Furthermore, when kh is kept constant, the proposed approach leads to a significant reduction of the computational time compared to the use of the exact inverse of the CSLP with a small shift.

math.NA↗

arXiv2020

The Role of PDE-Based Parameterization Techniques in Gradient-Based IGA Shape Optimization Applications

This paper proposes a shape optimization algorithm based on the principles of Isogeometric Analysis (IGA) in which the parameterization of the geometry enters the problem formulation as an additional PDE-constraint. Inspired by the isoparametric principle of IGA, the parameterization and the governing state equation are treated using the same numerical technique. This leads to a scheme that is comparatively easy to differentiate, allowing for a fully symbolic derivation of the gradient and subsequent gradient-based optimization. To improve the efficiency and robustness of the scheme, the basis is re-selected during each optimization iteration and adjusted to the current needs. The scheme is validated in two test cases.

math.NA↗