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M. Paul Laiu

Publications and source records attributed to M. Paul Laiu.

At least 19 recordsLinked to original sources

An exponential mechanism based on quadratic approximations for fine-tuning machine learning models with privacy guarantees

Fine-tuning adapts a pretrained machine learning model to a small, sensitive dataset, but this process risks memorizing individual new data points, making the model vulnerable to adversaries who seek to extract sensitive information. In this work, we develop a randomized algorithm based on the exponential mechanism for fine-tuning while ensuring differential privacy. Our key idea is to construct a simple utility function that combines a local quadratic approximation of the pretrained model with information from the new dataset. The resulting exponential mechanism admits exact sampling from a multivariate normal distribution in closed form. We establish theoretical privacy guarantees, sensitivity bounds, and accuracy estimations for our method. We further introduce a random-projection strategy that makes the approach scalable to high-dimensional models. Numerical experiments on the MNIST benchmark and the MIMIC clinical dataset demonstrate competitive performance against existing differentially private fine-tuning techniques.

cs.LG↗

thornado+Flash-X: A Hybrid DG-IMEX and Finite-Volume Framework for Neutrino-Radiation Hydrodynamics in Core-Collapse Supernovae

We present neutrino-transport algorithms implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado) and their coupling to self-gravitating hydrodynamics within the adaptive mesh refinement (AMR)-based multiphysics simulation framework Flash-X. thornado, developed primarily for simulations of core-collapse supernovae (CCSNe), employs a spectral, six-species two-moment formulation with algebraic closure and special-relativistic observer corrections accurate to $O(v/c)$, and uses discontinuous Galerkin (DG) methods for phase-space discretization combined with implicit-explicit time stepping. A key development is a nonlinear neutrino-matter coupling algorithm based on nested fixed-point iteration with Anderson acceleration, enabling fully implicit treatment of collisional processes, including energy-coupling interactions such as neutrino-electron scattering and pair production. Coupling to finite-volume (FV) hydrodynamics is achieved with a hybrid DG-FV representation of the fluid variables and operator-split evolution in Flash-X. The implementation is verified using basic transport tests with idealized opacities and relaxation and deleptonization problems with tabulated microphysics. Spherically symmetric CCSN simulations demonstrate accuracy and robustness of the coupled scheme, including close agreement with the CCSN simulation code Chimera. An axisymmetric CCSN simulation further demonstrates the viability of DG-based neutrino transport for multidimensional supernova modeling within Flash-X. thornado's neutrino-transport solver is GPU-enabled using OpenMP offloading or OpenACC, and all CCSN applications included in this work use the GPU implementation. Together, these results establish a foundation for future enhancements in physics fidelity, numerical algorithms, and computational performance, for increasingly realistic large-scale CCSN simulations.

astro-ph.IM↗

On high-order/low-order and micro-macro methods for implicit time-stepping of the BGK model

In this paper, a high-order/low-order (HOLO) method is combined with a micro-macro (MM) decomposition to accelerate iterative solvers in fully implicit time-stepping of the BGK equation for gas dynamics. The MM formulation represents a kinetic distribution as the sum of a local Maxwellian and a perturbation. In highly collisional regimes, the perturbation away from initial and boundary layers is small and can be compressed to reduce the overall storage cost of the distribution. The convergence behavior of the MM methods, the usual HOLO method, and the standard source iteration method is analyzed on a linear BGK model. Both the HOLO and MM methods are implemented using a discontinuous Galerkin (DG) discretization in phase space, which naturally preserves the consistency between high- and low-order models required by the HOLO approach. The accuracy and performance of these methods are compared on the Sod shock tube problem and a sudden wall heating boundary layer problem. Overall, the results demonstrate the robustness of the MM and HOLO approaches and illustrate the compression benefits enabled by the MM formulation when the kinetic distribution is near equilibrium.

math.NA↗

Pixel-Resolved Long-Context Learning for Turbulence at Exascale: Resolving Small-scale Eddies Toward the Viscous Limit

Turbulence plays a crucial role in multiphysics applications, including aerodynamics, fusion, and combustion. Accurately capturing turbulence's multiscale characteristics is essential for reliable predictions of multiphysics interactions, but remains a grand challenge even for exascale supercomputers and advanced deep learning models. The extreme-resolution data required to represent turbulence, ranging from billions to trillions of grid points, pose prohibitive computational costs for models based on architectures like vision transformers. To address this challenge, we introduce a multiscale hierarchical Turbulence Transformer that reduces sequence length from billions to a few millions and a novel RingX sequence parallelism approach that enables scalable long-context learning. We perform scaling and science runs on the Frontier supercomputer. Our approach demonstrates excellent performance up to 1.1 EFLOPS on 32,768 AMD GPUs, with a scaling efficiency of 94%. To our knowledge, this is the first AI model for turbulence that can capture small-scale eddies down to the dissipative range.

physics.flu-dyn↗

Convergence Analysis of the Alternating Anderson-Picard Method for Nonlinear Fixed-point Problems

Anderson Acceleration (AA) has been widely used to solve nonlinear fixed-point problems due to its rapid convergence. This work focuses on a variant of AA in which multiple Picard iterations are performed between each AA step, referred to as the Alternating Anderson-Picard (AAP) method. Despite introducing more ``slow'' Picard iterations, this method has been shown to be efficient and even more robust in both linear and nonlinear cases. However, there is a lack of theoretical analysis for AAP in the nonlinear case. In this paper, we address this gap by establishing the equivalence between AAP and a multisecant-GMRES method that uses GMRES to solve a multisecant linear system at each iteration. From this perspective, we show that AAP ``converges'' to the Newton-GMRES method. Specifically, as the residual approaches zero, the multisecant matrix, the approximate Jacobian inverse, the search direction, and the optimization gain of AAP converge to their counterparts in the Newton-GMRES method. These connections provide insights for analyzing the asymptotic convergence properties of AAP. Consequently, we show that AAP is locally $q$-linear convergent and provide an upper bound for the convergence factor of AAP. To validate the theoretical results, numerical examples are provided.

math.NA↗

FedOSAA: Improving Federated Learning with One-Step Anderson Acceleration

Federated learning (FL) is a distributed machine learning approach that enables multiple local clients and a central server to collaboratively train a model while keeping the data on their own devices. First-order methods, particularly those incorporating variance reduction techniques, are the most widely used FL algorithms due to their simple implementation and stable performance. However, these methods tend to be slow and require a large number of communication rounds to reach the global minimizer. We propose FedOSAA, a novel approach that preserves the simplicity of first-order methods while achieving the rapid convergence typically associated with second-order methods. Our approach applies one Anderson acceleration (AA) step following classical local updates based on first-order methods with variance reduction, such as FedSVRG and SCAFFOLD, during local training. This AA step is able to leverage curvature information from the history points and gives a new update that approximates the Newton-GMRES direction, thereby significantly improving the convergence. We establish a local linear convergence rate to the global minimizer of FedOSAA for smooth and strongly convex loss functions. Numerical comparisons show that FedOSAA substantially improves the communication and computation efficiency of the original first-order methods, achieving performance comparable to second-order methods like GIANT.

cs.LG↗

Realizability-Preserving Discontinuous Galerkin Method for Spectral Two-Moment Radiation Transport in Special Relativity

We present a realizability-preserving numerical method for solving a spectral two-moment model to simulate the transport of massless, neutral particles interacting with a steady background material moving with relativistic velocities. The model is obtained as the special relativistic limit of a four-momentum-conservative general relativistic two-moment model. Using a maximum-entropy closure, we solve for the Eulerian-frame energy and momentum. The proposed numerical method is designed to preserve moment realizability, which corresponds to moments defined by a nonnegative phase-space density. The realizability-preserving method is achieved with the following key components: (i) a discontinuous Galerkin (DG) phase-space discretization with specially constructed numerical fluxes in the spatial and energy dimensions; (ii) a strong stability-preserving implicit-explicit (IMEX) time-integration method; (iii) a realizability-preserving conserved to primitive moment solver; (iv) a realizability-preserving implicit collision solver; and (v) a realizability-enforcing limiter. Component (iii) is necessitated by the closure procedure, which closes higher order moments nonlinearly in terms of primitive moments. The nonlinear conserved to primitive and the implicit collision solves are formulated as fixed-point problems, which are solved with custom iterative solvers designed to preserve the realizability of each iterate. With a series of numerical tests, we demonstrate the accuracy and robustness of this DG-IMEX method.

math.NA↗

MATEY: multiscale adaptive foundation models for spatiotemporal physical systems

Accurate representation of the multiscale features in spatiotemporal physical systems using vision transformer (ViT) architectures requires extremely long, computationally prohibitive token sequences. To address this issue, we propose two adaptive tokenization schemes that dynamically adjust patch sizes based on local features: one ensures convergent behavior to uniform patch refinement, while the other offers better computational efficiency. Moreover, we present a set of spatiotemporal attention schemes, where the temporal or axial spatial dimensions are decoupled, and evaluate their computational and data efficiencies. We assess the performance of the proposed multiscale adaptive model, MATEY, in a sequence of experiments. The results show that adaptive tokenization schemes achieve improved accuracy without significantly increasing the length of the token sequence. Compared to a full spatiotemporal attention scheme or a scheme that decouples only the temporal dimension, we find that fully decoupled axial attention is less efficient and expressive, requiring more training time and model weights to achieve the same accuracy. Finally, we demonstrate in two fine-tuning tasks featuring different physics that models pretrained on PDEBench data outperform the ones trained from scratch, especially in the low data regime with frozen attention.

cs.LG↗

Streaming Compression of Scientific Data via weak-SINDy

In this paper a streaming weak-SINDy algorithm is developed specifically for compressing streaming scientific data. The production of scientific data, either via simulation or experiments, is undergoing an stage of exponential growth, which makes data compression important and often necessary for storing and utilizing large scientific data sets. As opposed to classical "offline" compression algorithms that perform compression on a readily available data set, streaming compression algorithms compress data "online" while the data generated from simulation or experiments is still flowing through the system. This feature makes streaming compression algorithms well-suited for scientific data compression, where storing the full data set offline is often infeasible. This work proposes a new streaming compression algorithm, streaming weak-SINDy, which takes advantage of the underlying data characteristics during compression. The streaming weak-SINDy algorithm constructs feature matrices and target vectors in the online stage via a streaming integration method in a memory efficient manner. The feature matrices and target vectors are then used in the offline stage to build a model through a regression process that aims to recover equations that govern the evolution of the data. For compressing high-dimensional streaming data, we adopt a streaming proper orthogonal decomposition (POD) process to reduce the data dimension and then use the streaming weak-SINDy algorithm to compress the temporal data of the POD expansion. We propose modifications to the streaming weak-SINDy algorithm to accommodate the dynamically updated POD basis. By combining the built model from the streaming weak-SINDy algorithm and a small amount of data samples, the full data flow could be reconstructed accurately at a low memory cost, as shown in the numerical tests.

cs.LG↗

Federated Dynamical Low-Rank Training with Global Loss Convergence Guarantees

In this work, we propose a federated dynamical low-rank training (FeDLRT) scheme to reduce client compute and communication costs - two significant performance bottlenecks in horizontal federated learning. Our method builds upon dynamical low-rank splitting schemes for manifold-constrained optimization to create a global low-rank basis of network weights, which enables client training on a small coefficient matrix. A consistent global low-rank basis allows us to incorporate a variance correction scheme and prove global loss descent and convergence to a stationary point. Dynamic augmentation and truncation of the low-rank bases automatically optimizes computing and communication resource utilization. We demonstrate the efficiency of FeDLRT in an array of computer vision benchmarks and show a reduction of client compute and communication costs by up to an order of magnitude with minimal impacts on global accuracy.

cs.LG↗

Structure-preserving neural networks for the regularized entropy-based closure of the Boltzmann moment system

The main challenge of large-scale numerical simulation of radiation transport is the high memory and computation time requirements of discretization methods for kinetic equations. In this work, we derive and investigate a neural network-based approximation to the entropy closure method to accurately compute the solution of the multi-dimensional moment system with a low memory footprint and competitive computational time. We extend methods developed for the standard entropy-based closure to the context of regularized entropy-based closures. The main idea is to interpret structure-preserving neural network approximations of the regularized entropy closure as a two-stage approximation to the original entropy closure. We conduct a numerical analysis of this approximation and investigate optimal parameter choices. Our numerical experiments demonstrate that the method has a much lower memory footprint than traditional methods with competitive computation times and simulation accuracy.

math.NA↗

Anderson acceleration with approximate calculations: applications to scientific computing

We provide rigorous theoretical bounds for Anderson acceleration (AA) that allow for approximate calculations when applied to solve linear problems. We show that, when the approximate calculations satisfy the provided error bounds, the convergence of AA is maintained while the computational time could be reduced. We also provide computable heuristic quantities, guided by the theoretical error bounds, which can be used to automate the tuning of accuracy while performing approximate calculations. For linear problems, the use of heuristics to monitor the error introduced by approximate calculations, combined with the check on monotonicity of the residual, ensures the convergence of the numerical scheme within a prescribed residual tolerance. Motivated by the theoretical studies, we propose a reduced variant of AA, which consists in projecting the least-squares used to compute the Anderson mixing onto a subspace of reduced dimension. The dimensionality of this subspace adapts dynamically at each iteration as prescribed by the computable heuristic quantities. We numerically show and assess the performance of AA with approximate calculations on: (i) linear deterministic fixed-point iterations arising from the Richardson's scheme to solve linear systems with open-source benchmark matrices with various preconditioners and (ii) non-linear deterministic fixed-point iterations arising from non-linear time-dependent Boltzmann equations.

math.NA↗

Convergence of weak-SINDy Surrogate Models

In this paper, we give an in-depth error analysis for surrogate models generated by a variant of the Sparse Identification of Nonlinear Dynamics (SINDy) method. We start with an overview of a variety of non-linear system identification techniques, namely, SINDy, weak-SINDy, and the occupation kernel method. Under the assumption that the dynamics are a finite linear combination of a set of basis functions, these methods establish a matrix equation to recover coefficients. We illuminate the structural similarities between these techniques and establish a projection property for the weak-SINDy technique. Following the overview, we analyze the error of surrogate models generated by a simplified version of weak-SINDy. In particular, under the assumption of boundedness of a composition operator given by the solution, we show that (i) the surrogate dynamics converges towards the true dynamics and (ii) the solution of the surrogate model is reasonably close to the true solution. Finally, as an application, we discuss the use of a combination of weak-SINDy surrogate modeling and proper orthogonal decomposition (POD) to build a surrogate model for partial differential equations (PDEs).

math.NA↗

DG-IMEX Method for a Two-Moment Model for Radiation Transport in the $\mathcal{O}(v/c)$ Limit

We consider particle systems described by moments of a phase-space density and propose a realizability-preserving numerical method to evolve a spectral two-moment model for particles interacting with a background fluid moving with nonrelativistic velocities. The system of nonlinear moment equations, with special relativistic corrections to $\mathcal{O}(v/c)$, expresses a balance between phase-space advection and collisions and includes velocity-dependent terms that account for spatial advection, Doppler shift, and angular aberration. This model is closely related to the one promoted by Lowrie et al. (2001; JQSRT, 69, 291-304) and similar to models currently used to study transport phenomena in large-scale simulations of astrophysical environments. The method is designed to preserve moment realizability, which guarantees that the moments correspond to a nonnegative phase-space density. The realizability-preserving scheme consists of the following key components: (i) a strong stability-preserving implicit-explicit (IMEX) time-integration method; (ii) a discontinuous Galerkin (DG) phase-space discretization with carefully constructed numerical fluxes; (iii) a realizability-preserving implicit collision update; and (iv) a realizability-enforcing limiter. In time integration, nonlinearity of the moment model necessitates solution of nonlinear equations, which we formulate as fixed-point problems and solve with tailored iterative solvers that preserve moment realizability with guaranteed convergence. We also analyze the simultaneous Eulerian-frame number and energy conservation properties of the semi-discrete DG scheme and propose an "energy limiter" that promotes Eulerian-frame energy conservation. Through numerical experiments, we demonstrate the accuracy and robustness of this DG-IMEX method and investigate its Eulerian-frame energy conservation properties.

math.NA↗

Data-driven, structure-preserving approximations to entropy-based moment closures for kinetic equations

We present a data-driven approach to construct entropy-based closures for the moment system from kinetic equations. The proposed closure learns the entropy function by fitting the map between the moments and the entropy of the moment system, and thus does not depend on the space-time discretization of the moment system and specific problem configurations such as initial and boundary conditions. With convex and $C^2$ approximations, this data-driven closure inherits several structural properties from entropy-based closures, such as entropy dissipation, hyperbolicity, and H-Theorem. We construct convex approximations to the Maxwell-Boltzmann entropy using convex splines and neural networks, test them on the plane source benchmark problem for linear transport in slab geometry, and compare the results to the standard, optimization-based M$_N$ closures. Numerical results indicate that these data-driven closures provide accurate solutions in much less computation time than the M$_N$ closures.

math.NA↗

A DG-IMEX method for two-moment neutrino transport: Nonlinear solvers for neutrino-matter coupling

Neutrino-matter interactions play an important role in core-collapse supernova (CCSN) explosions as they contribute to both lepton number and/or four-momentum exchange between neutrinos and matter, and thus act as the agent for neutrino-driven explosions. Due to the multiscale nature of neutrino transport in CCSN simulations, an implicit treatment of neutrino-matter interactions is desired, which requires solutions of coupled nonlinear systems in each step of the time integration scheme. In this paper we design and compare nonlinear iterative solvers for implicit systems with energy coupling neutrino-matter interactions commonly used in CCSN simulations. Specifically, we consider electron neutrinos and antineutrinos, which interact with static matter configurations through the Bruenn~85 opacity set. The implicit systems arise from the discretization of a non-relativistic two-moment model for neutrino transport, which employs the discontinuous Galerkin (DG) method for phase-space discretization and an implicit-explicit (IMEX) time integration scheme. In the context of this DG-IMEX scheme, we propose two approaches to formulate the nonlinear systems -- a coupled approach and a nested approach. For each approach, the resulting systems are solved with Anderson-accelerated fixed-point iteration and Newton's method. The performance of these four iterative solvers has been compared on relaxation problems with various degree of collisionality, as well as proto-neutron star deleptonization problems with several matter profiles adopted from spherically symmetric CCSN simulations. Numerical results suggest that the nested Anderson-accelerated fixed-point solver is more efficient than other tested solvers for solving implicit nonlinear systems with energy coupling neutrino-matter interactions.

astro-ph.HE↗

Analysis of a new implicit solver for a semiconductor model

We present and analyze a new iterative solver for implicit discretizations of a simplified Boltzmann-Poisson system. The algorithm builds on recent work that incorporated a sweeping algorithm for the Vlasov-Poisson equations as part of nested inner-outer iterative solvers for the Boltzmann-Poisson equations. The new method eliminates the need for nesting and requires only one transport sweep per iteration. It arises as a new fixed-point formulation of the discretized system which we prove to be contractive for a given electric potential. We also derive an accelerator to improve the convergence rate for systems in the drift-diffusion regime. We numerically compare the efficiency of the new solver, with and without acceleration, with a recently developed nested iterative solver.

math.NA↗

An Infeasible-Start Framework for Convex Quadratic Optimization, with Application to Constraint-Reduced Interior-Point Methods

A framework is proposed for solving general convex quadratic programs (CQPs) from an infeasible starting point by invoking an existing feasible-start algorithm tailored for inequality-constrained CQPs. The central tool is an exact penalty function scheme equipped with a penalty-parameter updating rule. The feasible-start algorithm merely has to satisfy certain general requirements, and so is the updating rule. Under mild assumptions, the framework is proved to converge on CQPs with both inequality and equality constraints and, at a negligible additional cost per iteration, produces an infeasibility certificate, together with a feasible point for an (approximately) $\ell_1$-least relaxed feasible problem when the given problem does not have a feasible solution. The framework is applied to a feasible-start constraint-reduced interior-point algorithm previously proved to be highly performant on problems with many more constraints than variables ("imbalanced"). Numerical comparison with popular codes (SDPT3, SeDuMi, MOSEK) is reported on both randomly generated problems and support-vector machine classifier training problems. The results show that the former typically outperforms the latter on imbalanced problems.

math.OC↗