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Fabio Durastante

Publications and source records attributed to Fabio Durastante.

At least 19 recordsLinked to original sources

Steering dynamic network centrality via control theory

Time-evolving networks, or temporal networks, play a crucial role in modeling dynamic interactions across various domains, including biology, social sciences, and information technology. Unlike static networks, these systems undergo continuous changes in topology and edge weights, influencing processes such as information flow, transportation efficiency, and neural activity. Understanding and controlling these networks are essential for predicting future behavior and optimizing dynamic processes. This work focuses on the problem of dynamic centrality, a measure of node importance in time-dependent networks. Specifically, we address how to steer network centrality to a desired state by making minimal modifications to the network structure. This problem is formulated as an optimal control problem for an ordinary differential equation, either matrix- or vector-based, where the control acts on network edges. The proposed framework generalizes centrality control problems studied in static networks and leverages the Pontryagin Maximum Principle for efficient solutions. For large-scale problems, the required matrix-function actions are approximated by Krylov-type techniques, avoiding the explicit formation of dense matrix functions. Numerical experiments on synthetic and real temporal networks show that the proposed framework can effectively steer receive centrality under prescribed control constraints.

math.NA

Walk based Laplacians for Modeling Diffusion on Complex Networks

We develop a novel framework for modeling diffusion on complex networks by constructing Laplacian-like operators based on walks around a graph. Our approach introduces a parametric family of walk-based Laplacians that naturally incorporate memory effects by excluding or downweighting backtracking trajectories, where walkers immediately revisit nodes. The framework includes: (i) walk-based Laplacians that count all traversals in the network; (ii) nonbacktracking variants that eliminate immediate reversals; and (iii) backtrack-downweighted variants that provide a continuous interpolation between these two regimes. We establish that these operators extend the definition of the standard Laplacian and also preserve some of its properties. We present efficient algorithms using Krylov subspace methods for computing them, ensuring applicability of our proposed framework to large networks. Extensive numerical experiments on real-world networks validate the modeling flexibility of our approach and demonstrate the computational efficiency of the proposed algorithms, including GPU acceleration.

cs.SI

An Equivalence result for sketched Anderson Acceleration and sketched GMRES

In this paper we present an equivalence result between a randomized version of Anderson Acceleration and of randomized GMRES for linear problems. Namely, we extend the classical result of Walker and Ni (2011) to the case in which the least-squares problem in Anderson Acceleration is solved in a sketched space defined by a random projection. This equivalence suggests potential avenues for further research in the design and analysis of randomized acceleration methods.

math.NA

Pauli-Sparse regularised Counterdiabatic Shortcuts for Linear-Ramp QAOA

Combinatorial optimization is a leading target for quantum algorithms, but finite-depth QAOA can suffer from strong diabatic errors when the interpolation Hamiltonian has small, or exponentially small, spectral gaps. We propose a Pauli-sparse counterdiabatic extension of linear-ramp QAOA based on the regularised adiabatic gauge potential \[ \bigl(\mathcal L_H^2+ηI\bigr)A_λ^{(η)} = -\mathrm{i}\mathcal L_H(\partial_λH), \qquad \mathcal L_H(X)=[H,X]. \] Instead of computing a dense AGP, we solve this equation approximately by an inexact conjugate-gradient method in Pauli coordinates, truncating the Pauli expansion during the iteration to obtain a gate-budget-aware set of implementable rotations. The selected support is then improved by a Galerkin refit and certified by an a posteriori residual bound. The regularization parameter \(η\) acts as an energy-resolution scale: it suppresses transitions below \(\sqrtη\) while retaining larger-gap transitions. Thus, the method can avoid resolving exponentially small splittings inside a low-energy solution manifold while reducing leakage away from it. Numerical experiments on Ferromagnetic Chain (FC) and perturbed FC--MaxCut/MarketSplit instances show that the resulting LR-CD-QAOA ansatz improves approximation ratios over the uncorrected linear ramp, especially in regimes where LR-QAOA remains far from the optimum. Overall, the proposed regularized LR-CD-QAOA framework substantially broadens the practical applicability of QAOA to QUBO optimization by improving its robustness across heterogeneous problem landscapes, including instances with near-degenerate low-energy structures and small spectral gaps.

quant-ph

Nearest Reversible Markov Chains with Sparsity Constraints: An Optimization Approach

Reversibility is a key property of Markov chains, central to algorithms such as Metropolis-Hastings and other MCMC methods. Yet many applications yield non-reversible chains, motivating the problem of approximating them by reversible ones with minimal modification. We formulate this task as a matrix nearness problem and focus on the practically relevant case of sparse transition matrices. The resulting optimization problem is a quadratic programming problem, and numerical experiments illustrate the effectiveness of the approach. This framework provides a principled way to enforce reversibility and sparsity patterns in Markov chains with applications in MCMC, computational chemistry, and data-driven modeling.

math.NA

Evaluating Rust for Sparse Matrix Kernels in Scientific Computing

Sparse matrix kernels form the computational backbone of scientific computing, traditionally relying on C/C++ and Fortran implementations that prioritize performance over memory safety. This work evaluates Rust as a systems-level alternative for sparse linear algebra by implementing and benchmarking three core workloads: sparse matrix-vector multiplication (SpMV), Lanczos-based Krylov methods, and matrix-exponential evaluation. We compare native Rust code against established baselines (Intel oneMKL, Eigen, PETSc, and PSBLAS) across a suite of representative matrices. Our results show that Rust's sparse kernels achieve performance comparable to Eigen and PSBLAS, tracking the state-of-the-art for CSC formats, while trailing PETSc's advanced blocked CSR optimizations. By analyzing compile-time monomorphization, SIMD vectorization, and FFI boundaries, we assess the practical impact of Rust's safety model and ecosystem readiness. The study provides concrete, evidence-based guidance for modernizing high-performance numerical software stacks.

cs.MS

Kemeny's constant minimization for reversible Markov chains via structure-preserving perturbations

Kemeny's constant measures the efficiency of a Markov chain in traversing its states. We investigate whether structure-preserving perturbations to the transition probabilities of a reversible Markov chain can improve its connectivity while maintaining a fixed stationary distribution. Although the minimum achievable value for Kemeny's constant can be estimated, the required perturbations may be infeasible. We reformulate the problem as an optimization task, focusing on solution existence and efficient algorithms, with an emphasis on the problem of minimizing Kemeny's constant under sparsity constraints.

math.NA

Low-Rank Solvers for Energy-Conserving Hamiltonian Boundary Value Methods

We study energy-conserving Hamiltonian Boundary Value Methods (HBVMs) for Hamiltonian systems, which arise in applications where long-term preservation of energy and symplecticity is essential. HBVMs are multi-stage schemes whose stage equations reformulate as matrix equations with a low-rank right-hand side. For linear systems, we exploit this structure directly via Krylov projection solvers. For nonlinear systems, we leverage it within simplified Newton iterations and as a preconditioner in a Newton--Krylov framework, combined with adaptive time-stepping for robust convergence. Numerical experiments on semi-discretized wave equations demonstrate the efficiency and robustness of the proposed approach.

math.NA

Parallel matching-based AMG preconditioners for elliptic equations discretized by IgA

Isogeometric analysis (IgA) offers enhanced approximation capabilities for the discretization of elliptic boundary-value problems, yet it results in large, sparse, and increasingly ill-conditioned linear systems due to higher interconnectivity among degrees of freedom. In particular, the discretization with tensor-product B-splines or NURBS of degree $p$ on a mesh with $n$ elements per parametric direction leads to symmetric positive-definite systems of the form $K\mathbf{u} = \mathbf{F}$, where the matrix bandwidth and condition number scale unfavorably with both $p$ and spatial dimension $d$. To address the computational challenges posed by such systems, especially in three-dimensional or high-order scenarios, Krylov subspace methods with specialized preconditioners become essential. This paper investigates the efficacy of algebraic multigrid (AMG) preconditioners tailored for IgA-based discretizations, with a focus on performance in modern high-performance computing (HPC) environments. Leveraging the Parallel Sparse Computation Toolkit (PSCToolkit), we explore distributed-memory and GPU-accelerated strategies for solving large-scale problems. The study assesses algorithmic efficiency and scalability across a range of benchmark tests. The results demonstrate that AMG preconditioners can achieve robust and scalable performance, confirming their potential as practical solvers for large IgA systems in engineering and scientific applications.

math.NA

A $\star$-Product Approach for Analytical and Numerical Solutions of Nonautonomous Linear Fractional Differential Equations

This article presents a novel solution method for nonautonomous linear ordinary fractional differential equations. The approach is based on reformulating the analytical solution using the $\star$-product, a generalization of the Volterra convolution, followed by an appropriate discretization of the resulting expression. Additionally, we demonstrate that, in certain cases, the $\star$-formalism enables the derivation of closed-form solutions, further highlighting the utility of this framework.

math.NA

A Riemannian Optimization Approach for Finding the Nearest Reversible Markov Chain

We address the algorithmic problem of determining the reversible Markov chain $\tilde X$ that is closest to a given Markov chain $X$, with an identical stationary distribution. More specifically, $\tilde X$ is the reversible Markov chain with the closest transition matrix, in the Frobenius norm, to the transition matrix of $X$. To compute the transition matrix of $\tilde X$, we propose a novel approach based on Riemannian optimization. Our method introduces a modified multinomial manifold endowed with a prescribed stationary vector, while also satisfying the detailed balance conditions, all within the framework of the Fisher metric. We evaluate the performance of the proposed approach in comparison with an existing quadratic programming method and demonstrate its effectiveness through a series of synthetic experiments, as well as in the construction of a reversible Markov chain from transition count data obtained via direct estimation from a stochastic differential equation.

math.NA

Stage-Parallel Implicit Runge--Kutta methods via low-rank matrix equation corrections

Implicit Runge--Kutta (IRK) methods are highly effective for solving stiff ordinary differential equations (ODEs) but can be computationally expensive for large-scale problems due to the need of solving coupled algebraic equations at each step. This study improves IRK efficiency by leveraging parallelism to decouple stage computations and reduce communication overhead, specifically we stably decouple a perturbed version of the stage system of equations and recover the exact solution by solving a Sylvester matrix equation with an explicitly known low-rank right-hand side. Two IRK families -- symmetric methods and collocation methods -- are analyzed, with extensions to nonlinear problems using a simplified Newton method. Implementation details, shared memory parallel code, and numerical examples, particularly for ODEs from spatially discretized PDEs, demonstrate the efficiency of the proposed IRK technique.

math.NA

Optimal Polynomial Smoothers for Parallel AMG

In this paper, we explore polynomial accelerators that are well-suited for parallel computations, specifically as smoothers in Algebraic MultiGrid (AMG) preconditioners. These accelerators address a minimax problem, initially formulated in [Lottes, Numer. Lin. Alg. with Appl. 30(6), 2518 (2023)], aiming to achieve an optimal (or near-optimal) bound for a polynomial-dependent constant involved in the AMG V-cycle error bound, without requiring information about the matrices' spectra. Lottes focuses on Chebyshev polynomials of the 4th-kind and defines the relevant recurrence formulas applicable to a general convergent basic smoother. In this paper, we demonstrate the efficacy of these accelerations for large-scale applications on modern GPU-accelerated supercomputers. Furthermore, we formulate a variant of the aforementioned minimax problem, which naturally leads to solutions relying on Chebyshev polynomials of the 1st-kind as accelerators for a basic smoother. For all the polynomial accelerations, we describe efficient GPU kernels for their application and demonstrate their comparable effectiveness on standard benchmarks at very large scales.

math.NA

Enforcing Katz and PageRank Centrality Measures in Complex Networks

We investigate the problem of enforcing a desired centrality measure in complex networks, while still keeping the original pattern of the network. Specifically, by representing the network as a graph with suitable nodes and weighted edges, we focus on computing the smallest perturbation on the weights required to obtain a prescribed PageRank or Katz centrality index for the nodes. Our approach relies on optimization procedures that scale with the number of modified edges, enabling the exploration of different scenarios and altering network structure and dynamics.

physics.soc-ph

Modeling advection on distance-weighted directed networks

In this paper we propose a model for describing advection dynamics on distance-weighted directed graphs. To this end we establish a set of key properties, or axioms, that a discrete advection operator should satisfy, and prove that there exists an essentially unique operator satisfying all such properties. Both infinite and finite networks are considered, as well as possible variants and extensions. We illustrate the proposed model through examples, both analytical and numerical, and we describe an application to the simulation of a traffic network.

cs.SI

PSCToolkit: solving sparse linear systems with a large number of GPUs

In this chapter, we describe the Parallel Sparse Computation Toolkit (PSCToolkit), a suite of libraries for solving large-scale linear algebra problems in an HPC environment. In particular, we focus on the tools provided for the solution of symmetric and positive-definite linear systems using up to 8192 GPUs on the EuroHPC-JU Leonardo supercomputer. PSCToolkit is an ongoing mathematical software project aimed at exploiting the extreme computational speed of current supercomputers for relevant problems in Computational and Data Science. The toolkit is designed for node-level efficiency, flexibility and usability, supporting integration with both Fortran and C/C++, enabling researchers and developers from diverse computational backgrounds to leverage its powerful capabilities.

math.NA

On Kemeny's constant and stochastic complement

Given a stochastic matrix $P$ partitioned in four blocks $P_{ij}$, $i,j=1,2$, Kemeny's constant $κ(P)$ is expressed in terms of Kemeny's constants of the stochastic complements $P_1=P_{11}+P_{12}(I-P_{22})^{-1}P_{21}$, and $P_2=P_{22}+P_{21}(I-P_{11})^{-1}P_{12}$. Specific cases concerning periodic Markov chains and Kronecker products of stochastic matrices are investigated. Bounds to Kemeny's constant of perturbed matrices are given. Relying on these theoretical results, a divide-and-conquer algorithm for the efficient computation of Kemeny's constant of graphs is designed. Numerical experiments performed on real-world problems show the high efficiency and reliability of this algorithm.

math.NA

Efficient computation of the sinc matrix function for the integration of second-order differential equations

This work deals with the numerical solution of systems of oscillatory second-order differential equations which often arise from the semi-discretization in space of partial differential equations. Since these differential equations exhibit (pronounced or highly) oscillatory behavior, standard numerical methods are known to perform poorly. Our approach consists in directly discretizing the problem by means of Gautschi-type integrators based on $\operatorname{sinc}$ matrix functions. The novelty contained here is that of using a suitable rational approximation formula for the $\operatorname{sinc}$ matrix function to apply a rational Krylov-like approximation method with suitable choices of poles. In particular, we discuss the application of the whole strategy to a finite element discretization of the wave equation.

math.NA