Publications

Order by: publication date number of citations

• Autoregressive neural Slater-Jastrow ansatz for variational Monte Carlo simulation

  Stephan Humeniuk, Yuan Wan, Lei Wang

  SciPost Phys. 14, 171 (2023) · published 27 June 2023 | Toggle abstract · pdf

  Direct sampling from a Slater determinant is combined with an autoregressive deep neural network as a Jastrow factor into a fully autoregressive Slater-Jastrow ansatz for variational quantum Monte Carlo, which allows for uncorrelated sampling. The elimination of the autocorrelation time leads to a stochastic algorithm with provable cubic scaling (with a potentially large prefactor), i.e. the number of operations for producing an uncorrelated sample and for calculating the local energy scales like $\mathcal{O}(N_s^3)$ with the number of orbitals $N_s$. The implementation is benchmarked on the two-dimensional $t-V$ model of spinless fermions on the square lattice.

  1 citation

• Do machines dream of atoms? Crippen's logP as a quantitative molecular benchmark for explainable AI heatmaps

  Maria H. Rasmussen, Diana S. Christensen, Jan H. Jensen

  SciPost Chem. 2, 002 (2023) · published 27 June 2023 | Toggle abstract · pdf

  While there is a great deal of interest in methods aimed at explaining machine learning predictions of chemical properties, it is difficult to quantitatively benchmark such methods, especially for regression tasks. We show that the Crippen logP model (J. Chem. Inf. Comput. Sci. 1999, 39, 868) provides an excellent benchmark for atomic attribution/heatmap approaches, especially if the ground truth heatmaps can be adjusted to reflect the molecular representation. The "atom attribution from finger prints"-method developed by Riniker and Landrum (J. Chem. Inf. Comput. Sci. 2013, 5, 43) gives atomic attribution heatmaps that are in reasonable agreement with the atomic contribution heatmaps of the Crippen logP model for most molecules, with average heatmap overlaps of up to 0.54. The agreement is increased significantly (to 0.75) when the atomic contributions are adjusted to match the fact that the molecular representation is fragment-based rather than atom-based (the finger print-adapted (FPA) ground truth vector). Most heatmaps and the corresponding FPA overlaps are relatively insensitive to the training set size and the results are close to converged for a training set size of 1000 molecules, although for molecules with low overlap some heatmaps change significantly. Using the "remove an atom" approach for graph convolutional neural networks (GCNNs) suggested by Matveieva and Polishchuk (J. Cheminform. 2021, 13, 41) we find an average heatmap overlap of 0.47 for the atomic contribution heatmaps of the Crippen logP model. Like the simpler attribution benchmarks for classification tasks that have come before it, this work sets the bar for regression tasks.

  3 citations

• Sifting composite from elementary models at FCCee and CePC

  Giacomo Cacciapaglia, Aldo Deandrea, Abhishek M. Iyer, Andres Pinto

  SciPost Phys. 14, 170 (2023) · published 26 June 2023 | Toggle abstract · pdf

  New Physics models with either an elementary or composite origin are often associated with a similar imprint in a direct search at colliders, case in point being the production of a light pseudoscalar in association with a monochromatic photon from the decay of a Z boson at future $e+e-$ colliders. We exploit the correlation between the discovery of a signal in the Z decays and electroweak precision measurements as a tool to distinguish a composite model from an elementary scalar one. Our results offer an appealing and rich physics case for future colliders and demonstrate how a lepton collider at the Z mass can be a discovery machine for new physics in the Higgs sector.

• A new class of higher quantum Airy structures as modules of $\mathcal{W}(\mathfrak{gl}_r)$-algebras

  Vincent Bouchard, Kieran Mastel

  SciPost Phys. 14, 169 (2023) · published 26 June 2023 | Toggle abstract · pdf

  Quantum $r$-Airy structures can be constructed as modules of $\mathcal{W}(\mathfrak{gl}_r)$-algebras via restriction of twisted modules for the underlying Heisenberg algebra. In this paper we classify all such higher quantum Airy structures that arise from modules twisted by automorphisms of the Cartan subalgebra consisting of products of disjoint cycles of the same length. An interesting feature of these higher quantum Airy structures is that the dilaton shifts must be chosen carefully to satisfy a matrix invertibility condition, with a natural choice being roots of unity. We explore how these higher quantum Airy structures may provide a definition of the Chekhov, Eynard, and Orantin topological recursion for reducible algebraic spectral curves. We also study under which conditions quantum $r$-Airy structures that come from modules twisted by arbitrary automorphisms can be extended to new quantum $(r+1)$-Airy structures by appending a trivial one-cycle to the twist without changing the dilaton shifts.

  3 citations

• Spontaneous breaking of finite group symmetries at all temperatures

  Pedro Liendo, Junchen Rong, Haoyu Zhang

  SciPost Phys. 14, 168 (2023) · published 22 June 2023 | Toggle abstract · pdf

  We study conformal field theories with finite group symmetries with spontaneous symmetry breaking (SSB) phases which persist at all temperatures. We work with two $\lambda \phi^4$ theories coupled through their mass terms. The two $\lambda \phi^4$ theories are chosen to preserve either the cubic symmetry group, or the tetrahedral symmetry group. A one-loop calculation in the $4-\epsilon$ expansion shows that there exist infinitely many fixed points that can host an all temperature SSB phase. An analysis of the renormalization group (RG) stability matrix of these fixed points, reveals that their spectrum contains at least three relevant operators. In other words, these fixed points are tetracritical points.

• Cavity induced collective behavior in the polaritonic ground state

  Vasil Rokaj, Simeon I. Mistakidis, H. R. Sadeghpour

  SciPost Phys. 14, 167 (2023) · published 22 June 2023 | Toggle abstract · pdf

  Cavity quantum electrodynamics provides an ideal platform to engineer and control light-matter interactions with polariton quasiparticles. In this work, we investigate collective phenomena in a system of many particles in a harmonic trap coupled to a homogeneous cavity vacuum field. The system couples collectively to the cavity field, through its center of mass, and collective polariton states emerge. The cavity field mediates pairwise long-range interactions and enhances the effective mass of the particles. This leads to an enhancement of localization in the matter ground state density, which features a maximum when light and matter are on resonance, and demonstrates a Dicke-like, collective behavior with the particle number. The light-matter interaction also modifies the photonic properties of the polariton system, as the ground state is populated with bunched photons. In addition, it is shown that the diamagnetic $A^2$ term is necessary for the stability of the system, as otherwise the superradiant ground state instability occurs. We demonstrate that coherent transfer of polaritonic population is possible with an external magnetic field and by monitoring the Landau-Zener transition probability.

  4 citations

• Low-energy excitations and transport functions of the one-dimensional Kondo insulator

  Robert Peters, Roman Rausch

  SciPost Phys. 14, 166 (2023) · published 21 June 2023 | Toggle abstract · pdf

  Using variational matrix product states, we analyze the finite temperature behavior of a half-filled periodic Anderson model in one dimension, a prototypical model of a Kondo insulator. We present an extensive analysis of single-particle Green's functions, two-particle Green's functions, and transport functions creating a broad picture of the low-temperature properties. We confirm the existence of energetically low-lying spin excitations in this model and study their energy-momentum dispersion and temperature dependence. We demonstrate that charge-charge correlations at the Fermi energy exhibit a different temperature dependence than spin-spin correlations. While energetically low-lying spin excitations emerge approximately at the Kondo temperature, which exponentially depends on the interaction strength, charge correlations vanish already at high temperatures. Furthermore, we analyze the charge and thermal conductivity at finite temperatures by calculating the time-dependent current-current correlation functions. While both charge and thermal conductivity can be fitted for all interaction strengths by gapped systems with a renormalized band gap, the gap in the system describing the thermal conductivity is generally smaller than the system describing the charge conductivity. Thus, two-particle correlations affect the charge and heat conductivities in a different way resulting in a temperature region where the charge conductivity of this one-dimensional Kondo insulator is already decreasing while the heat conductivity is still increasing.

  1 citation

• Nonexistence of motility induced phase separation transition in one dimension

  Indranil Mukherjee, Adarsh Raghu, Pradeep Kumar Mohanty

  SciPost Phys. 14, 165 (2023) · published 21 June 2023 | Toggle abstract · pdf

  We introduce and study a model of hardcore particles obeying run-and-tumble dynamics on a one-dimensional lattice, where particles run in either $+$ve or $-$ve $x$-direction with an effective speed $v$ and tumble (change their direction of motion) with a constant rate $\omega$ when assisted by another particle from right. We show that the coarse-grained dynamics of the system can be mapped to a beads-in-urn model called misanthrope process where particles are identified as urns and vacancies as beads that hop to a neighbouring urn situated in the direction opposite to the current. The hop rate is same as the magnitude of the particle current; we calculate it analytically for a two-particle system and show that it does not satisfy the criteria required for a phase separation transition. Nonexistence of phase separation in this model, where tumbling dynamics is rather restricted, necessarily imply that motility induced phase separation transition can not occur in other models in one dimension with unconditional tumbling.

  3 citations

• Foliated-exotic duality in fractonic BF theories

  Kantaro Ohmori, Shutaro Shimamura

  SciPost Phys. 14, 164 (2023) · published 21 June 2023 | Toggle abstract · pdf

  There has been proposed two continuum descriptions of fracton systems: foliated quantum field theories (FQFTs) and exotic quantum field theories. Certain fracton systems are believed to admit descriptions by both, and hence a duality is expected between such a class of FQFTs and exotic QFTs. In this paper we study this duality in detail for concrete examples in $2+1$ and $3+1$ dimensions. In the examples, both sides of the continuum theories are of $BF$-type, and we find the explicit correspondences of gauge-invariant operators, gauge fields, parameters, and allowed singularities and discontinuities. This deepens the understanding of dualities in fractonic quantum field theories.

  5 citations

• Higher-form symmetries, anomalous magnetohydrodynamics, and holography

  Arpit Das, Ruth Gregory, Nabil Iqbal

  SciPost Phys. 14, 163 (2023) · published 20 June 2023 | Toggle abstract · pdf

  In $U(1)$ Abelian gauge theory coupled to fermions, the non-conservation of the axial current due to the chiral anomaly is given by a dynamical operator $F_{\mu\nu} \tilde{F}^{\mu\nu}$ constructed from the field-strength tensor. We attempt to describe this physics in a universal manner by casting this operator in terms of the 2-form current for the 1-form symmetry associated with magnetic flux conservation. We construct a holographic dual with this symmetry breaking pattern and study some aspects of finite temperature anomalous magnetohydrodynamics. We explicitly calculate the charge susceptibility and the axial charge relaxation rate as a function of temperature and magnetic field and compare to recent lattice results. At small magnetic fields we find agreement with elementary hydrodynamics weakly coupled to an electrodynamic sector, but we find deviations at larger fields.

  3 citations