arXiv subjects

Stefan Krieg

Publications and source records attributed to Stefan Krieg.

At least 19 recordsLinked to original sources

arXiv2026

A first look at Structured-Multiscale Algebraic Multigrid for Lattice Field Theory

State-of-the-art solvers for the Dirac equation in Lattice QCD are based on adaptive multigrid methods. These require fine-tuning of many algorithmic parameters to achieve optimal performance. We apply a new multigrid approach to Lattice Field Theory adapted from oil-reservoir simulations: Structured-Multiscale Algebraic Multigrid (SM-AMG). This method builds compact aggregates with overlapping borders to coarsen the grid and yields accurate interpolation. A key advantage is that aggregate size is the primary tunable parameter. For our results, we used SM-AMG in an algebraic approach, called Aggregative-Multiscale AMG (AM-AMG). We benchmark the efficiency of AM-AMG against that of DD$\alpha$AMG, a successful adaptive multigrid solver which alleviates critical slowing down. The two solvers are compared within the framework of the two-flavor Schwinger model using the Wilson discretization. On fine lattices, the operation count of both methods is similar near the critical point and for large volumes, reflecting a comparable computational cost. However, the number of fine-grid iterations is larger for AM-AMG. On coarse lattices, AM-AMG encounters difficulties to remove the low modes close to the critical mass.

hep-lat↗

arXiv2026

Future Requirements of Lattice Field Theory Calculations on European High-Performance Computing Facilities

Lattice field theory provides a first-principles framework for studying properties of strongly interacting quantum field theories in elementary particle physics. Researchers in lattice field theory are also among the largest and most efficient users of high- performance computing resources in fundamental science. In this contribution, we outline the computational profile of lattice QCD, from gauge-field generation to large-scale measurements, and discuss the main hardware, software, and human resource requirements needed to sustain progress on current and future European HPC infrastructures.

hep-lat↗

arXiv2026

Third moments of nucleon unpolarized, polarized, and transversity parton distribution functions from physical-point lattice QCD

Using forward matrix elements of local leading-twist operators, we present a determination of the isovector third Mellin moments $\left< x^2 \right>$ of nucleon unpolarized, polarized, and transversity parton distribution functions. Two lattice QCD ensembles at the physical pion mass are used, which were generated using a tree-level Symanzik-improved gauge action and 2+1 flavor tree-level improved Wilson Clover fermions coupling via 2-level HEX-smearing. Leveraging a wide set of operators, two extraction methods for the matrix elements, and the automatic inclusion of model uncertainties via bootstrapped model averages, we extract values of the third Mellin moments. This is the first direct calculation of these observables performed at the physical pion mass.

hep-lat↗

arXiv2026

The structure of the lightest positive-parity charmed mesons from LQCD

The nature of low-lying scalar and axial-vector charmed mesons has long been debated, specifically whether they are best explained as hadronic molecules or compact tetraquark systems. These two scenarios exhibit quite different features for the accessible $SU(3)$ multiplets in the scalar and axial-vector sectors. To resolve this debate, we performed $N_f=3+1$ lattice simulations and calculated the energy levels of the $SU(3)$ $[6]$ and $[\overline{15}]$ multiplets for both the scalar and axial-vector mesons in an $SU(3)$ flavor-symmetric setting. In both sectors we find attractive states for the [6] and repulsive interactions for the $[\overline{15}]$. This is consistent with the hadronic molecule picture, but not the compact tetraquark picture which predicts a low-lying $[\overline{15}]$ states in the axial-vector sector but not in the scalar sector.

hep-lat↗

arXiv2025

Confirmation of the existence of an exotic state in the $πD$ system

In recent years many candidates for states beyond the most simple realization of the quark model were found in various experiments around the world. However, so far no consensus exists on their structure, although there is strong evidence that at least some of those are dynamically generated from meson-meson interactions. In this Letter we provide an important missing piece from the theoretical side to prove that the lightest open charm strange and non-strange scalars $D_{s0}^*(2317)$ and $D_0^*$ as well as their axial-vector partner states can all be understood as emerging from the interactions between Goldstone bosons stemming from the spontaneous breaking of chiral symmetry and the ground state charmed mesons. For that purpose we exploit the flavor multiplet structure of the lightest open-charm positive-parity scalar states in an SU(3) symmetric lattice QCD simulation at large pion masses to establish that there exists a bound state in the flavor-sextet representation, which cannot emerge for quark-antiquark states but appears naturally for four-quark configurations. Moreover, we find repulsion in the $[15]$ representation and thus no single-particle state in this representation exists, falsifying the expectation for tetraquark models. The findings establish the pattern predicted for the interactions of Goldstone bosons with $D$ mesons from chiral symmetry and the paradigm of the lowest-lying positive-parity charmed mesons as dynamically generated states.

hep-ph↗

arXiv2025

Exotics in the $πD$ system

In this proceedings we consider several states, namely the $D^*_{s0}(2317)$, $D_{s1}(2460)$, $D^*_{0}(2300)$ and $D_{1}(2430)$, which appear to defy description as simple quark-antiquark pairs. Theoretical input from unitarized chiral perturbation theory suggests they can be understood as emerging from Goldstone-Boson--$D$-meson scattering. We present results from an $SU(3)$ flavor-symmetric lattice QCD simulation at large pion masses suggesting that there exists a $πD$ bound state in the flavor-sextet representation that cannot emerge for quark-antiquark states, but that appears naturally from the multiquark states. Moreover, we find repulsion in the [15] representation, which establishes the pattern predicted for the interactions of Goldstone bosons with $D$ mesons. This suggests these states may have the structure of hadronic molecules.

hep-lat↗

arXiv2025

Exclusion of a diquark-antidiquark structure for the lightest positive-parity charmed mesons

The nature of low-lying scalar and axial-vector charmed mesons has been debated for decades, with hadronic molecular and compact tetraquark models being prominent candidates. These two models predict quite different features for the accessible SU(3) multiplets in the scalar and axial-vector sectors, which can be tested through lattice calculations at SU(3) symmetric points. In this work, we perform lattice calculations for both scalar and axial-vector charmed mesons with an SU(3) symmetric pion mass about 613 MeV for the SU(3) $[6]$ and $[\overline{15}]$ multiplets. We find that the $[6]$ multiplet exhibits attractive interactions in both scalar and axial-vector sectors, while the $[\overline{15}]$ multiplet shows repulsive interactions in both sectors. The energy shifts in the scalar and axial-vector sectors are compatible with each other within uncertainties. These results are fully consistent with the hadronic molecular picture, while challenging the compact tetraquark model, which predicts the existence of low-lying $[\overline{15}]$ states in the axial-vector sector but not in the scalar sector.

hep-lat↗

arXiv2024

Every Component Counts: Rethinking the Measure of Success for Medical Semantic Segmentation in Multi-Instance Segmentation Tasks

We present Connected-Component~(CC)-Metrics, a novel semantic segmentation evaluation protocol, targeted to align existing semantic segmentation metrics to a multi-instance detection scenario in which each connected component matters. We motivate this setup in the common medical scenario of semantic metastases segmentation in a full-body PET/CT. We show how existing semantic segmentation metrics suffer from a bias towards larger connected components contradicting the clinical assessment of scans in which tumor size and clinical relevance are uncorrelated. To rebalance existing segmentation metrics, we propose to evaluate them on a per-component basis thus giving each tumor the same weight irrespective of its size. To match predictions to ground-truth segments, we employ a proximity-based matching criterion, evaluating common metrics locally at the component of interest. Using this approach, we break free of biases introduced by large metastasis for overlap-based metrics such as Dice or Surface Dice. CC-Metrics also improves distance-based metrics such as Hausdorff Distances which are uninformative for small changes that do not influence the maximum or 95th percentile, and avoids pitfalls introduced by directly combining counting-based metrics with overlap-based metrics as it is done in Panoptic Quality.

cs.CV↗

arXiv2024

Single Particle Spectrum of Doped $\mathrm{C}_{20}\mathrm{H}_{12}$-Perylene

We present a Hamiltonian Monte Carlo study of doped perylene $\mathrm{C}_{20}\mathrm{H}_{12}$ described with the Hubbard model. Doped perylene can be used for organic light-emitting diodes (OLEDs) or as acceptor material in organic solar cells. Therefore, central to this study is a scan over charge chemical potential. A variational basis of operators allows for the extraction of the single-particle spectrum through a mostly automatic fitting procedure. Finite chemical potential simulations suffer from a sign problem which we ameliorate through contour deformation. The on-site interaction is kept at $U/κ= 2$. Discretization effects are handled through a continuum limit extrapolation. Our first-principles calculation shows significant deviation from non-interacting results especially at large chemical potentials.

cond-mat.str-el↗

arXiv2024

Moments of Nucleon Unpolarized, Polarized, and Transversity Parton Distribution Functions from Lattice QCD at the Physical Point

The second Mellin moments $\langle x\rangle$ of the nucleon's unpolarized, polarized, and transversity parton distribution functions (PDFs) are computed. Two lattice QCD ensembles at the physical pion mass are used: these were generated using a tree-level Symanzik-improved gauge action and 2+1 flavour tree-level improved Wilson Clover fermions coupling via 2-level HEX-smearing. The moments are extracted from forward matrix elements of local leading twist operators. We determine renomalization factors in RI-(S)MOM and match to $\overline{\mathrm{MS}}$ at scale $2\,\mathrm{GeV}$. Our findings show that operators that exhibit vanishing kinematics at zero momentum can have significantly reduced excited-state contamination. The resulting polarized moment is used to quantify the longitudinal contribution to the quark spin-orbit correlation. All our results agree within two sigma with previous lattice results.

hep-lat↗

arXiv2023

From Theory to Practice: Applying Neural Networks to Simulate Real Systems with Sign Problems

The numerical sign problem poses a seemingly insurmountable barrier to the simulation of many fascinating systems. We apply neural networks to deform the region of integration, mitigating the sign problem of systems with strongly correlated electrons. In this talk we present our latest architectural developments as applied to contour deformation. We also demonstrate its applicability to real systems, namely perylene.

cond-mat.str-el↗

arXiv2023

Moments of Parton Distributions Functions from Lattice QCD at the Physical Point

We present a Lattice QCD calculation of the second Mellin moments of the nucleon axial, vector and tensor parton distribution functions (PDFs). The calculation is performed at the physical pion mass with two different lattice spacings, and includes both zero and non-zero nucleon momenta. In our preliminary analysis, we identify operators that greatly reduce excited-state contamination.

hep-lat↗

arXiv2022

Mitigating the Hubbard Sign Problem with Complex-Valued Neural Networks

Monte Carlo simulations away from half-filling suffer from a sign problem that can be reduced by deforming the contour of integration. Such a transformation, which induces a Jacobian determinant in the Boltzmann weight, can be implemented using neural networks. This additional determinant cost for a generic neural network scales cubically with the volume, preventing large-scale simulations. We implement a new architecture, based on complex-valued affine coupling layers, which reduces this to linear scaling. We demonstrate the efficacy of this method by successfully applying it to systems of different size, the largest of which is intractable by other Monte Carlo methods due to its severe sign problem.

physics.comp-ph↗

arXiv2021

The Antiferromagnetic Character of the Quantum Phase Transition in the Hubbard Model on the Honeycomb Lattice

We provide a unified, comprehensive treatment of all operators that contribute to the anti-ferromagnetic, ferromagnetic, and charge-density-wave structure factors and order parameters of the hexagonal Hubbard Model. We use the Hybrid Monte Carlo algorithm to perform a systematic, carefully controlled analysis in the temporal Trotter error and of the thermodynamic limit. We expect our findings to improve the consistency of Monte Carlo determinations of critical exponents. We perform a data collapse analysis and determine the critical exponent $β=0.898(37)$ for the semimetal-Mott insulator transition in the hexagonal Hubbard Model. Our methods are applicable to a wide range of lattice theories of strongly correlated electrons.

cond-mat.str-el↗

arXiv2021

The Semimetal-Antiferromagnetic Mott Insulator Quantum Phase Transition of the Hubbard Model on the Honeycomb Lattice

The Hubbard model on the honeycomb lattice undergoes a quantum phase transition from a semimetallic to a Mott insulating phase and from a disordered to an anti-ferromagnetically phase. We show that these transitions occur simultaneously and we calculate the critical coupling $U_c=3.835(14)$ as well as the critical exponents $ν=1.181(43)$ and $β=0.898(37)$ which are expected to fall into the $SU(2)$ Gross-Neveu universality class. For this we employ Hybrid Monte Carlo simulations, extrapolate the single particle gap and the spin structure factors to the thermodynamic and continuous time limits, and perform a data collapse fit. We also determine the zero temperature values of single particle gap and staggered magnetisation on both sides of the phase transition.

cond-mat.str-el↗

arXiv2021

P-wave nucleon-pion scattering amplitude in the $Δ(1232)$ channel from lattice QCD

We determine the $Δ(1232)$ resonance parameters using lattice QCD and the Lüscher method. The resonance occurs in elastic pion-nucleon scattering with $J^P=3/2^+$ in the isospin $I = 3/2$, $P$-wave channel. Our calculation is performed with $N_f=2+1$ flavors of clover fermions on a lattice with $L\approx 2.8$ fm. The pion and nucleon masses are $m_π=255.4(1.6)$ MeV and $m_N=1073(5)$ MeV, and the strong decay channel $Δ\rightarrow πN$ is found to be above the threshold. To thoroughly map out the energy-dependence of the nucleon-pion scattering amplitude, we compute the spectra in all relevant irreducible representations of the lattice symmetry groups for total momenta up to $\vec{P}=\frac{2π}{L}(1,1,1)$, including irreps that mix $S$ and $P$ waves. We perform global fits of the amplitude parameters to up to 21 energy levels, using a Breit-Wigner model for the $P$-wave phase shift and the effective-range expansion for the $S$-wave phase shift. From the location of the pole in the $P$-wave scattering amplitude, we obtain the resonance mass $m_Δ=1378(7)(9)$ MeV and the coupling $g_{Δ\text{-}πN}=23.8(2.7)(0.9)$.

hep-lat↗

arXiv2020

The Semimetal-Mott Insulator Quantum Phase Transition of the Hubbard Model on the Honeycomb Lattice

We take advantage of recent improvements in the grand canonical Hybrid Monte Carlo algorithm, to perform a precision study of the single-particle gap in the hexagonal Hubbard model, with on-site electron-electron interactions. After carefully controlled analyses of the Trotter error, the thermodynamic limit, and finite-size scaling with inverse temperature, we find a critical coupling of $U_c/κ=3.834(14)$ and the critical exponent $zν=1.185(43)$. Under the assumption that this corresponds to the expected anti-ferromagnetic Mott transition, we are also able to provide a preliminary estimate $β=1.095(37)$ for the critical exponent of the order parameter. We consider our findings in view of the $SU(2)$ Gross-Neveu, or chiral Heisenberg, universality class. We also discuss the computational scaling of the Hybrid Monte Carlo algorithm, and possible extensions of our work to carbon nanotubes, fullerenes, and topological insulators.

cond-mat.str-el↗

arXiv2020

Leveraging Machine Learning to Alleviate Hubbard Model Sign Problems

Lattice Monte Carlo calculations of interacting systems on non-bipartite lattices exhibit an oscillatory imaginary phase known as the phase or sign problem, even at zero chemical potential. One method to alleviate the sign problem is to analytically continue the integration region of the state variables into the complex plane via holomorphic flow equations. For asymptotically large flow times the state variables approach manifolds of constant imaginary phase known as Lefschetz thimbles. However, flowing such variables and calculating the ensuing Jacobian is a computationally demanding procedure. In this paper we demonstrate that neural networks can be trained to parameterize suitable manifolds for this class of sign problem and drastically reduce the computational cost. We apply our method to the Hubbard model on the triangle and tetrahedron, both of which are non-bipartite. At strong interaction strengths and modest temperatures the tetrahedron suffers from a severe sign problem that cannot be overcome with standard reweighting techniques, while it quickly yields to our method. We benchmark our results with exact calculations and comment on future directions of this work.

cond-mat.str-el↗