arXiv subjects

Giorgio Silvi

Publications and source records attributed to Giorgio Silvi.

8 recordsLinked to original sources

arXiv2026

QUBO-Compatible Active Learning for Inverse Design of High-Entropy Alloys

Machine-learned forward models can rapidly predict alloy properties, but their use for inverse design remains challenging when the search should also retain compatibility with quadratic unconstrained binary optimization (QUBO). Here, we develop a QUBO-compatible active-learning framework for inverse design of high-entropy alloys using a pretrained graph-neural-network predictor as a fixed property oracle. A property-guided binary variational autoencoder provides a binary latent representation, while an ensemble of quadratic factorization machines guides candidate selection. We systematically benchmark the framework through controlled latent-space ablations and comparison with direct composition-space optimization. The results show that candidate generation is a major determinant of search performance: local perturbations around previously high-performing latent codes provide the largest workflow-specific improvement, while surrogate-based selection further prioritizes candidates within the enriched search pool. The resulting QUBO-compatible workflow remains competitive with strong classical optimization strategies, although a composition-space genetic algorithm achieves the highest mean score. Finally, the learned quadratic surrogate can be exported directly as a QUBO. These results show that effective data acquisition can be separated from the final QUBO optimization endpoint, providing a benchmarked route for QUBO-compatible data-driven materials inverse design.

cond-mat.mtrl-sci↗

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↗

arXiv2021

$I=1/2$ $S$-wave and $P$-wave $Kπ$ scattering and the $κ$ and $K^*$ resonances from lattice QCD

We present a lattice-QCD determination of the elastic isospin-$1/2$ $S$-wave and $P$-wave $Kπ$ scattering amplitudes as a function of the center-of-mass energy using Lüscher's method. We perform global fits of $K$-matrix parametrizations to the finite-volume energy spectra for all irreducible representations with total momenta up to $\sqrt{3}\frac{2π}{L}$; this includes irreps that mix the $S$- and $P$-waves. Several different parametrizations for the energy dependence of the $K$-matrix are considered. We also determine the positions of the nearest poles in the scattering amplitudes, which correspond to the broad $κ$ resonance in the $S$-wave and the narrow $K^*(892)$ resonance in the $P$-wave. Our calculations are performed with $2+1$ dynamical clover fermions for two different pion masses of $317.2(2.2)$ and $175.9(1.8)$ MeV. Our preferred $S$-wave parametrization is based on a conformal map and includes an Adler zero; for the $P$-wave we use a standard pole parametrization including Blatt-Weisskopf barrier factors. The $S$-wave $κ$-resonance pole positions are found to be $\left[0.86(12) - 0.309(50)\,i\right]\:{\rm GeV}$ at the heavier pion mass and $\left[0.499(55)- 0.379(66)\,i\right]\:{\rm GeV}$ at the lighter pion mass. The $P$-wave $K^*$-resonance pole positions are found to be $\left[ 0.8951(64) - 0.00250(21)\,i \right]\:{\rm GeV}$ at the heavier pion mass and $\left[0.8718(82) - 0.0130(11)\,i\right]\:{\rm GeV}$ at the lighter pion mass, which corresponds to couplings of $g_{K^* Kπ}=5.02(26)$ and $g_{K^* Kπ}=4.99(22)$, respectively.

hep-lat↗

arXiv2019

$K π$ scattering and the $K^*(892)$ resonance in 2+1 flavor QCD

In this project, we will compute the form factors relevant for $B \to K^*(\to K π)\ell^+\ell^-$ decays. To map the finite-volume matrix elements computed on the lattice to the infinite-volume $B \to K π$ matrix elements, the $K π$ scattering amplitude needs to be determined using Lüscher's method. Here we present preliminary results from our calculations with $2+1$ flavors of dynamical clover fermions. We extract the $P$-wave scattering phase shifts and determine the $K^*$ resonance mass and the $K^* K π$ coupling for two different ensembles with pion masses of $317(2)$ and $178(2)$ MeV.

hep-lat↗

arXiv2018

Towards the P-wave nucleon-pion scattering amplitude in the $Δ(1232)$ channel

We use lattice QCD and the Lüscher method to study elastic pion-nucleon scattering in the isospin $I = 3/2$ channel, which couples to the $Δ(1232)$ resonance. Our $N_f=2+1$ flavor lattice setup features a pion mass of $m_π\approx 250$ MeV, such that the strong decay channel $Δ\rightarrow πN$ is close to the threshold. We present our method for constructing the required lattice correlation functions from single- and two-hadron interpolating fields and their projection to irreducible representations of the relevant symmetry group of the lattice. We show preliminary results for the energy spectra in selected moving frames and irreducible representations, and extract the scattering phase shifts. Using a Breit-Wigner fit, we also determine the resonance mass $m_Δ$ and the $g_{Δ-πN}$ coupling.

hep-lat↗

arXiv2018

Roberge-Weiss endpoint and chiral symmetry restoration in $N_f = 2+1$ QCD

We investigate the fate of the Roberge-Weiss endpoint transition and its connection with the restoration of chiral symmetry as the chiral limit of $N_f = 2+1$ QCD is approached. We adopt a stout staggered discretization on lattices with $N_t = 4$ sites in the temporal direction; the chiral limit is approached maintaining a constant physical value of the strange-to-light mass ratio and exploring three different light quark masses, corresponding to pseudo-Goldstone pion masses $m_π\simeq 100, 70$ and 50 MeV around the transition. A finite size scaling analysis provides evidence that the transition remains second order, in the 3D Ising universality class, in all the explored mass range. The residual chiral symmetry of the staggered action also allows us to investigate the relation between the Roberge-Weiss endpoint transition and the chiral restoration transition as the chiral limit is approached: our results, including the critical scaling of the chiral condensate, are consistent with a coincidence of the two transitions in the chiral limit; however we are not able to discern the symmetry controlling the critical behavior, because the critical indexes relevant to the scaling of the chiral condensate are very close to each other for the two possible universality classes (3D Ising or O(2)).

hep-lat↗

arXiv2018

Portable multi-node LQCD Monte Carlo simulations using OpenACC

This paper describes a state-of-the-art parallel Lattice QCD Monte Carlo code for staggered fermions, purposely designed to be portable across different computer architectures, including GPUs and commodity CPUs. Portability is achieved using the OpenACC parallel programming model, used to develop a code that can be compiled for several processor architectures. The paper focuses on parallelization on multiple computing nodes using OpenACC to manage parallelism within the node, and OpenMPI to manage parallelism among the nodes. We first discuss the available strategies to be adopted to maximize performances, we then describe selected relevant details of the code, and finally measure the level of performance and scaling-performance that we are able to achieve. The work focuses mainly on GPUs, which offer a significantly high level of performances for this application, but also compares with results measured on other processors.

hep-lat↗

arXiv2017

Design and optimization of a portable LQCD Monte Carlo code using OpenACC

The present panorama of HPC architectures is extremely heterogeneous, ranging from traditional multi-core CPU processors, supporting a wide class of applications but delivering moderate computing performance, to many-core GPUs, exploiting aggressive data-parallelism and delivering higher performances for streaming computing applications. In this scenario, code portability (and performance portability) become necessary for easy maintainability of applications; this is very relevant in scientific computing where code changes are very frequent, making it tedious and prone to error to keep different code versions aligned. In this work we present the design and optimization of a state-of-the-art production-level LQCD Monte Carlo application, using the directive-based OpenACC programming model. OpenACC abstracts parallel programming to a descriptive level, relieving programmers from specifying how codes should be mapped onto the target architecture. We describe the implementation of a code fully written in OpenACC, and show that we are able to target several different architectures, including state-of-the-art traditional CPUs and GPUs, with the same code. We also measure performance, evaluating the computing efficiency of our OpenACC code on several architectures, comparing with GPU-specific implementations and showing that a good level of performance-portability can be reached.

hep-lat↗