arXiv subjects

Lars Karlsson

Publications and source records attributed to Lars Karlsson.

11 recordsLinked to original sources

arXiv2026

Performance Benchmarking: Software for the Density Matrix Renormalization Group

The performance of scientific software often determines the scale of problems that can be solved in practice. As multiple implementations of the same algorithm emerge, systematic evaluation is needed to compare their strengths and limitations. The density matrix renormalization group (DMRG) algorithm, widely used to study quantum systems, has over 50 software implementations. These implementations vary in multiple aspects that can strongly affect performance. However, despite the need, performance evaluations of these implementations are scarce and lack a consistent standard; many existing evaluations are either too incomplete to enable meaningful comparisons or focus on objectives other than direct performance comparisons, thereby limiting understanding of how the implementations compare. Here, we present a performance-oriented benchmarking framework to facilitate meaningful comparisons of DMRG implementations, and we apply it to quantify the performance of eight implementations, highlighting similarities and differences among them. Furthermore, we examine multiple parameter settings, optimization strategies, and implementation-specific features to demonstrate how parameter configuration can affect performance and how systematic evaluation can reveal non-obvious trade-offs. The results show significant performance differences, up to two orders of magnitude in some cases, not only between different implementations when aligning parameters, but also within the same implementation when comparing different parameter configurations. Hence, our results demonstrate the significant value and insight that can be gained from conducting rigorous performance evaluations. Using our results and framework as a starting point, more rigorous benchmarking will ultimately help users and developers make informed decisions and support future development efforts to build better, more efficient software.

physics.comp-ph↗

arXiv2026

Reasonable Motion: A General ASP Foundation for Environment Constrained Movement Trajectory Computation

We present a general answer set programming based hybrid quantitative-qualitative method for computing constrained branching trajectory modes for moving objects in real-world settings. The method performs constrained traversal of an environment graph, enumerating geometrically admissible motion behaviours as stable models, each constituting a distinct trajectory mode characterised by both domain-dependent and independent factors such as derived event sequence, map topology, and domain norms. The hybrid trajectory computation method is generally applicable across motion characteristics typically encountered in diverse dynamic domains with moving objects, e.g., autonomous driving. We demonstrate applicability and highlight how computed trajectories are traceable to their underlying stable model, thereby affording verifiable interpretability that purely learned approaches cannot provide. We also perform an empirical evaluation with Argoverse 2, a large-scale real-world autonomous driving benchmark representative of the class of dynamic domains within the scope of the proposed method.

cs.AI↗

arXiv2025

Compilation of Generalized Matrix Chains with Symbolic Sizes

Generalized Matrix Chains (GMCs) are products of matrices where each matrix carries features (e.g., general, symmetric, triangular, positive-definite) and is optionally transposed and/or inverted. GMCs are commonly evaluated via sequences of calls to BLAS and LAPACK kernels. When matrix sizes are known, one can craft a sequence of kernel calls to evaluate a GMC that minimizes some cost, e.g., the number of floating-point operations (FLOPs). Even in these circumstances, high-level languages and libraries, upon which users usually rely, typically perform a suboptimal mapping of the input GMC onto a sequence of kernels. In this work, we go one step beyond and consider matrix sizes to be symbolic (unknown); this changes the nature of the problem since no single sequence of kernel calls is optimal for all possible combinations of matrix sizes. We design and evaluate a code generator for GMCs with symbolic sizes that relies on multi-versioning. At compile-time, when the GMC is known but the sizes are not, code is generated for a few carefully selected sequences of kernel calls. At run-time, when sizes become known, the best generated variant for the matrix sizes at hand is selected and executed. The code generator uses new theoretical results that guarantee that the cost is within a constant factor from optimal for all matrix sizes and an empirical tuning component that further tightens the gap to optimality in practice. In experiments, we found that the increase above optimal in both FLOPs and execution time of the generated code was less than 15\% for 95\% of the tested chains.

cs.MS↗

arXiv2025

The Software Landscape for the Density Matrix Renormalization Group

The density matrix renormalization group (DMRG) algorithm is a cornerstone computational method for studying quantum many-body systems, renowned for its accuracy and adaptability. Despite DMRG's broad applicability across fields such as materials science, quantum chemistry, and quantum computing, numerous independent implementations have been developed. This survey maps the rapidly expanding DMRG software landscape, providing a comprehensive comparison of features among 35 existing packages. We found significant overlap in features among the packages when comparing key aspects, such as parallelism strategies for high-performance computing and symmetry-adapted formulations that enhance efficiency. This overlap suggests opportunities for modularization of common operations, including tensor operations, symmetry representations, and eigensolvers, as the packages are mostly independent and share few third-party library dependencies where functionality is factored out. More widespread modularization and standardization would result in reduced duplication of efforts and improved interoperability. We believe that the proliferation of packages and the current lack of standard interfaces and modularity are more social than technical. We aim to raise awareness of existing packages, guide researchers in finding a suitable package for their needs, and help developers identify opportunities for collaboration, modularity standardization, and optimization. Ultimately, this work emphasizes the value of greater cohesion and modularity, which would benefit DMRG software, allowing these powerful algorithms to tackle more complex and ambitious problems.

physics.comp-ph↗

arXiv2024

Ranking with Ties based on Noisy Performance Data

We consider the problem of ranking a set of objects based on their performance when the measurement of said performance is subject to noise. In this scenario, the performance is measured repeatedly, resulting in a range of measurements for each object. If the ranges of two objects do not overlap, then we consider one object as 'better' than the other, and we expect it to receive a higher rank; if, however, the ranges overlap, then the objects are incomparable, and we wish them to be assigned the same rank. Unfortunately, the incomparability relation of ranges is in general not transitive; as a consequence, in general the two requirements cannot be satisfied simultaneously, i.e., it is not possible to guarantee both distinct ranks for objects with separated ranges, and same rank for objects with overlapping ranges. This conflict leads to more than one reasonable way to rank a set of objects. In this paper, we explore the ambiguities that arise when ranking with ties, and define a set of reasonable rankings, which we call partial rankings. We develop and analyse three different methodologies to compute a partial ranking. Finally, we show how performance differences among objects can be investigated with the help of partial ranking.

cs.PF↗

arXiv2023

On the Parenthesisations of Matrix Chains: All are Useful, Few Are Essential

The product of a matrix chain consisting of $n$ matrices can be computed in $C_{n-1}$ (Catalan's number) different ways, each identified by a distinct parenthesisation of the chain. The best algorithm to select a parenthesisation that minimises the cost runs in $O(n \log n)$ time. Approximate algorithms run in $O(n)$ time and find solutions that are guaranteed to be within a certain factor from optimal; the best factor is currently $1.155$. In this article, we first prove two results that characterise different parenthesisations, and then use those results to improve on the best known approximation algorithms. Specifically, we show that (a) each parenthesisation is optimal somewhere in the problem domain, and (b) exactly $n + 1$ parenthesisations are essential in the sense that the removal of any one of them causes an unbounded penalty for an infinite number of problem instances. By focusing on essential parenthesisations, we improve on the best known approximation algorithm and show that the approximation factor is at most $1.143$.

cs.DM↗

arXiv2022

FLOPs as a Discriminant for Dense Linear Algebra Algorithms

Expressions that involve matrices and vectors, known as linear algebra expressions, are commonly evaluated through a sequence of invocations to highly optimised kernels provided in libraries such as BLAS and LAPACK. A sequence of kernels represents an algorithm, and in general, because of associativity, algebraic identities, and multiple kernels, one expression can be evaluated via many different algorithms. These algorithms are all mathematically equivalent (i.e., in exact arithmetic, they all compute the same result), but often differ noticeably in terms of execution time. When faced with a decision, high-level languages, libraries, and tools such as Julia, Armadillo, and Linnea choose by selecting the algorithm that minimises the FLOP count. In this paper, we test the validity of the FLOP count as a discriminant for dense linear algebra algorithms, analysing "anomalies": problem instances for which the fastest algorithm does not perform the least number of FLOPs. To do so, we focused on relatively simple expressions and analysed when and why anomalies occurred. We found that anomalies exist and tend to cluster into large contiguous regions. For one expression anomalies were rare, whereas for the other they were abundant. We conclude that FLOPs is not a sufficiently dependable discriminant even when building algorithms with highly optimised kernels. Plus, most of the anomalies remained as such even after filtering out the inter-kernel cache effects. We conjecture that combining FLOP counts with kernel performance models will significantly improve our ability to choose optimal algorithms.

cs.PF↗

arXiv2021

Accelerating jackknife resampling for the Canonical Polyadic Decomposition

The Canonical Polyadic (CP) tensor decomposition is frequently used as a model in applications in a variety of different fields. Using jackknife resampling to estimate parameter uncertainties is often desirable but results in an increase of the already high computational cost. Upon observation that the resampled tensors, though different, are nearly identical, we show that it is possible to extend the recently proposed Concurrent ALS (CALS) technique to a jackknife resampling scenario. This extension gives access to the computational efficiency advantage of CALS for the price of a modest increase (typically a few percent) in the number of floating point operations. Numerical experiments on both synthetic and real-world datasets demonstrate that the new workflow based on a CALS extension can be several times faster than a straightforward workflow where the jackknife submodels are processed individually.

cs.MS↗

arXiv2021

The landscape of software for tensor computations

Tensors (also commonly seen as multi-linear operators or as multi-dimensional arrays) are ubiquitous in scientific computing and in data science, and so are the software efforts for tensor operations. Particularly in recent years, we have observed an explosion in libraries, compilers, packages, and toolboxes; unfortunately these efforts are very much scattered among the different scientific domains, and inevitably suffer from replication, suboptimal implementations, and in many cases, limited visibility. As a first step towards countering these inefficiencies, here we survey and loosely classify software packages related to tensor computations. Our aim is to assemble a comprehensive and up-to-date snapshot of the tensor software landscape, with the intention of helping both users and developers. Aware of the difficulties inherent in any multi-discipline survey, we very much welcome the reader's help in amending and expanding our software list, which currently features 80 projects.

cs.MS↗

arXiv2020

Concurrent Alternating Least Squares for multiple simultaneous Canonical Polyadic Decompositions

Tensor decompositions, such as CANDECOMP/PARAFAC (CP), are widely used in a variety of applications, such as chemometrics, signal processing, and machine learning. A broadly used method for computing such decompositions relies on the Alternating Least Squares (ALS) algorithm. When the number of components is small, regardless of its implementation, ALS exhibits low arithmetic intensity, which severely hinders its performance and makes GPU offloading ineffective. We observe that, in practice, experts often have to compute multiple decompositions of the same tensor, each with a small number of components (typically fewer than 20), to ultimately find the best ones to use for the application at hand. In this paper, we illustrate how multiple decompositions of the same tensor can be fused together at the algorithmic level to increase the arithmetic intensity. Therefore, it becomes possible to make efficient use of GPUs for further speedups; at the same time the technique is compatible with many enhancements typically used in ALS, such as line search, extrapolation, and non-negativity constraints. We introduce the Concurrent ALS algorithm and library, which offers an interface to Matlab, and a mechanism to effectively deal with the issue that decompositions complete at different times. Experimental results on artificial and real datasets demonstrate a shorter time to completion due to increased arithmetic intensity.

cs.MS↗

arXiv2017

A Householder-based algorithm for Hessenberg-triangular reduction

The QZ algorithm for computing eigenvalues and eigenvectors of a matrix pencil $A - \lambda B$ requires that the matrices first be reduced to Hessenberg-triangular (HT) form. The current method of choice for HT reduction relies entirely on Givens rotations regrouped and accumulated into small dense matrices which are subsequently applied using matrix multiplication routines. A non-vanishing fraction of the total flop count must nevertheless still be performed as sequences of overlapping Givens rotations alternately applied from the left and from the right. The many data dependencies associated with this computational pattern leads to inefficient use of the processor and poor scalability. In this paper, we therefore introduce a fundamentally different approach that relies entirely on (large) Householder reflectors partially accumulated into block reflectors, by using (compact) WY representations. Even though the new algorithm requires more floating point operations than the state of the art algorithm, extensive experiments on both real and synthetic data indicate that it is still competitive, even in a sequential setting. The new algorithm is conjectured to have better parallel scalability, an idea which is partially supported by early small-scale experiments using multi-threaded BLAS. The design and evaluation of a parallel formulation is future work.

math.NA↗