arXiv subjects

Xiaoye S. Li

Publications and source records attributed to Xiaoye S. Li.

16 recordsLinked to original sources

arXiv2026

Bayesian Optimization of The Relativistic Heavy Ion Collider Luminosity via $s^*$ Control

Maximizing luminosity at the interaction point (IP) requires the collision location $s_{IP}$ to coincide with the longitudinal position of the minimum beta function, $s^$. Accurate optics measurements and control of $s^$ are therefore essential for luminosity optimization. At the Relativistic Heavy Ion Collider (RHIC), average horizontal beta-beat measurements between operating IPs are approximately $20%$, with significant variation in measured $s^*$. Precise control of the beam waist position $s^$ is particularly challenging for modern high-energy colliders with short bunch lengths and large crossing angles. We present an online Bayesian optimization (BO) application using the GPTune framework to optimize sPHENIX luminosity through $s^$ control at RHIC. GPTune was first validated at the RHIC Electron Beam Ion Source (EBIS), where it achieved up to a $70%$ increase in beam intensity over the baseline, although experienced operators could reach similar performance with longer manual tuning. The framework was subsequently deployed during sPHENIX operations. Using an intensity-normalized Zero-Degree Calorimeter (ZDC) signal as the optimization objective, due to the unavailability of the live sPHENIX MVTX signal, GPTune identified local luminosity maxima, recovered from intentionally degraded $s^$ configurations, and revealed residual horizontal and vertical waist offsets in the interaction region. These results demonstrate the robustness and efficiency of Bayesian optimization for real-time collider tuning under noisy, time-varying conditions. The $s^$ control methodology provides a promising tool for precision luminosity optimization and is particularly relevant to next-generation short-bunch colliders such as the Electron-Ion Collider (EIC).

physics.acc-ph↗

arXiv2026

Tackling Parallelization Challenges of Randomized Preconditioners With Dependency Tracking

Incomplete Cholesky (IC) preconditioners are the standard black-box, memory-efficient first resort for large graph Laplacian systems, but classical IC can break down on irregular graphs. Approximate Cholesky (AC) addresses this with randomized dropping that is provably breakdown-free. Its stochastic fill-in pattern, however, resists static parallelization, creating a "setup bottleneck." We present ParAC, which parallelizes the sequential rchol algorithm on CPUs and GPUs using dynamic dependency tracking and architecture-aware memory management, without altering its numerics. Total time-to-solution speedups over deterministic IC reach $57.3\times$ on CPU and $52.2\times$ on GPU. Algebraic multigrid (AMG) remains preferable on structured PDE discretizations; on irregular graph Laplacians where AMG struggles, ParAC attains up to $7.2\times$ and $6.0\times$. On 200 adversarial SDD systems, ParAC converges on every instance, whereas the AMG solvers fail on 15 and 19, on CPU and GPU, respectively.

cs.DC↗

arXiv2026

Wasserstein-type Gaussian Process Regressions for Input Measurement Uncertainty

Gaussian process (GP) regression is widely used for uncertainty quantification, yet the standard formulation assumes noise-free covariates. When inputs are measured with error, this errors-in-variables (EIV) setting can lead to optimistically narrow posterior intervals and biased decisions. We study GP regression under input measurement uncertainty by representing each noisy input as a probability measure and defining covariance through Wasserstein distances between these measures. Building on this perspective, we instantiate a deterministic projected Wasserstein ARD (PWA) kernel whose one-dimensional components admit closed-form expressions and whose product structure yields a scalable, positive-definite kernel on distributions. Unlike latent-input GP models, PWA-based GPs (\PWAGPs) handle input noise without introducing unobserved covariates or Monte Carlo projections, making uncertainty quantification more transparent and robust.

stat.ME↗

arXiv2025

Elucidating the Design Choice of Probability Paths in Flow Matching for Forecasting

Flow matching has recently emerged as a powerful paradigm for generative modeling and has been extended to probabilistic time series forecasting in latent spaces. However, the impact of the specific choice of probability path model on forecasting performance remains under-explored. In this work, we demonstrate that forecasting spatio-temporal data with flow matching is highly sensitive to the selection of the probability path model. Motivated by this insight, we propose a novel probability path model designed to improve forecasting performance. Our empirical results across various dynamical system benchmarks show that our model achieves faster convergence during training and improved predictive performance compared to existing probability path models. Importantly, our approach is efficient during inference, requiring only a few sampling steps. This makes our proposed model practical for real-world applications and opens new avenues for probabilistic forecasting.

stat.ML↗

arXiv2025

Construction of Hierarchically Semi-Separable matrix Representation using Adaptive Johnson-Lindenstrauss Sketching

We present an extension of an adaptive, partially matrix-free, Hierarchically Semi-Separable (HSS) matrix construction algorithm by Gorman et al. [SIAM J. Sci. Comput. 41(5), 2019] which uses Gaussian sketching operators to a broader class of Johnson--Lindenstrauss (JL) sketching operators. We develop theoretical work which justifies this extension. In particular, we extend the earlier concentration bounds to all JL sketching operators and examine this bound for specific classes of such operators including the original Gaussian sketching operators, subsampled randomized Hadamard transform (SRHT) and the sparse Johnson--Lindenstrauss transform (SJLT). We discuss the implementation details of applying SJLT and SRHT efficiently. Then we demonstrate experimentally that using SJLT or SRHT instead of Gaussian sketching operators leads to up to 2.5x speedups of the serial HSS construction implementation in the STRUMPACK C++ library. Additionally, we discuss the implementation of a parallel distributed HSS construction that leverages Gaussian or SJLT sketching operators. We observe a performance improvement of up to 35x when using SJLT sketching operators over Gaussian sketching operators. The generalized algorithm allows users to select their own JL sketching operators with theoretical lower bounds on the size of the operators which may lead to faster run time with similar HSS construction accuracy.

math.NA↗

arXiv2024

Hybrid Parameter Search and Dynamic Model Selection for Mixed-Variable Bayesian Optimization

This paper presents a new type of hybrid model for Bayesian optimization (BO) adept at managing mixed variables, encompassing both quantitative (continuous and integer) and qualitative (categorical) types. Our proposed new hybrid models (named hybridM) merge the Monte Carlo Tree Search structure (MCTS) for categorical variables with Gaussian Processes (GP) for continuous ones. hybridM leverages the upper confidence bound tree search (UCTS) for MCTS strategy, showcasing the tree architecture's integration into Bayesian optimization. Our innovations, including dynamic online kernel selection in the surrogate modeling phase and a unique UCTS search strategy, position our hybrid models as an advancement in mixed-variable surrogate models. Numerical experiments underscore the superiority of hybrid models, highlighting their potential in Bayesian optimization.

cs.LG↗

arXiv2021

Non-smooth Bayesian Optimization in Tuning Problems

Building surrogate models is one common approach when we attempt to learn unknown black-box functions. Bayesian optimization provides a framework which allows us to build surrogate models based on sequential samples drawn from the function and find the optimum. Tuning algorithmic parameters to optimize the performance of large, complicated "black-box" application codes is a specific important application, which aims at finding the optima of black-box functions. Within the Bayesian optimization framework, the Gaussian process model produces smooth or continuous sample paths. However, the black-box function in the tuning problem is often non-smooth. This difficult tuning problem is worsened by the fact that we usually have limited sequential samples from the black-box function. Motivated by these issues encountered in tuning, we propose a novel additive Gaussian process model called clustered Gaussian process (cGP), where the additive components are induced by clustering. In the examples we studied, the performance can be improved by as much as 90% among repetitive experiments. By using this surrogate model, we want to capture the non-smoothness of the black-box function. In addition to an algorithm for constructing this model, we also apply the model to several artificial and real applications to evaluate it.

cs.LG↗

arXiv2021

GSoFa: Scalable Sparse Symbolic LU Factorization on GPUs

Decomposing matrix A into a lower matrix L and an upper matrix U, which is also known as LU decomposition, is an essential operation in numerical linear algebra. For a sparse matrix, LU decomposition often introduces more nonzero entries in the L and U factors than in the original matrix. A symbolic factorization step is needed to identify the nonzero structures of L and U matrices. Attracted by the enormous potentials of the Graphics Processing Units (GPUs), an array of efforts have surged to deploy various LU factorization steps except for the symbolic factorization, to the best of our knowledge, on GPUs. This paper introduces gSoFa, the first GPU-based Symbolic factorization design with the following three optimizations to enable scalable LU symbolic factorization for nonsymmetric pattern sparse matrices on GPUs. First, we introduce a novel fine-grained parallel symbolic factorization algorithm that is well suited for the Single Instruction Multiple Thread (SIMT) architecture of GPUs. Second, we tailor supernode detection into a SIMT friendly process and strive to balance the workload, minimize the communication and saturate the GPU computing resources during supernode detection. Third, we introduce a three-pronged optimization to reduce the excessive space consumption problem faced by multi-source concurrent symbolic factorization. Taken together, gSoFa achieves up to 31x speedup from 1 to 44 Summit nodes (6 to 264 GPUs) and outperforms the state-of-the-art CPU project, on average, by 5x. Notably, gSoFa also achieves {up to 47%} of the peak memory throughput of a V100 GPU in Summit.

cs.DC↗

arXiv2020

C-SAW: A Framework for Graph Sampling and Random Walk on GPUs

Many applications require to learn, mine, analyze and visualize large-scale graphs. These graphs are often too large to be addressed efficiently using conventional graph processing technologies. Many applications have requirements to analyze, transform, visualize and learn large scale graphs. These graphs are often too large to be addressed efficiently using conventional graph processing technologies. Recent literatures convey that graph sampling/random walk could be an efficient solution. In this paper, we propose, to the best of our knowledge, the first GPU-based framework for graph sampling/random walk. First, our framework provides a generic API which allows users to implement a wide range of sampling and random walk algorithms with ease. Second, offloading this framework on GPU, we introduce warp-centric parallel selection, and two optimizations for collision migration. Third, towards supporting graphs that exceed GPU memory capacity, we introduce efficient data transfer optimizations for out-of-memory sampling, such as workload-aware scheduling and batched multi-instance sampling. In its entirety, our framework constantly outperforms the state-of-the-art projects. First, our framework provides a generic API which allows users to implement a wide range of sampling and random walk algorithms with ease. Second, offloading this framework on GPU, we introduce warp-centric parallel selection, and two novel optimizations for collision migration. Third, towards supporting graphs that exceed the GPU memory capacity, we introduce efficient data transfer optimizations for out-of-memory and multi-GPU sampling, such as workload-aware scheduling and batched multi-instance sampling. Taken together, our framework constantly outperforms the state of the art projects in addition to the capability of supporting a wide range of sampling and random walk algorithms.

cs.DC↗

arXiv2020

A Distributed-Memory Algorithm for Computing a Heavy-Weight Perfect Matching on Bipartite Graphs

We design and implement an efficient parallel algorithm for finding a perfect matching in a weighted bipartite graph such that weights on the edges of the matching are large. This problem differs from the maximum weight matching problem, for which scalable approximation algorithms are known. It is primarily motivated by finding good pivots in scalable sparse direct solvers before factorization. Due to the lack of scalable alternatives, distributed solvers use sequential implementations of maximum weight perfect matching algorithms, such as those available in MC64. To overcome this limitation, we propose a fully parallel distributed memory algorithm that first generates a perfect matching and then iteratively improves the weight of the perfect matching by searching for weight-increasing cycles of length four in parallel. For most practical problems the weights of the perfect matchings generated by our algorithm are very close to the optimum. An efficient implementation of the algorithm scales up to 256 nodes (17,408 cores) on a Cray XC40 supercomputer and can solve instances that are too large to be handled by a single node using the sequential algorithm.

cs.DC↗

arXiv2019

Multitask and Transfer Learning for Autotuning Exascale Applications

Multitask learning and transfer learning have proven to be useful in the field of machine learning when additional knowledge is available to help a prediction task. We aim at deriving methods following these paradigms for use in autotuning, where the goal is to find the optimal performance parameters of an application treated as a black-box function. We show comparative results with state-of-the-art autotuning techniques. For instance, we observe an average $1.5x$ improvement of the application runtime compared to the OpenTuner and HpBandSter autotuners. We explain how our approaches can be more suitable than some state-of-the-art autotuners for the tuning of any application in general and of expensive exascale applications in particular.

cs.LG↗

arXiv2018

Efficient Online Hyperparameter Optimization for Kernel Ridge Regression with Applications to Traffic Time Series Prediction

Computational efficiency is an important consideration for deploying machine learning models for time series prediction in an online setting. Machine learning algorithms adjust model parameters automatically based on the data, but often require users to set additional parameters, known as hyperparameters. Hyperparameters can significantly impact prediction accuracy. Traffic measurements, typically collected online by sensors, are serially correlated. Moreover, the data distribution may change gradually. A typical adaptation strategy is periodically re-tuning the model hyperparameters, at the cost of computational burden. In this work, we present an efficient and principled online hyperparameter optimization algorithm for Kernel Ridge regression applied to traffic prediction problems. In tests with real traffic measurement data, our approach requires as little as one-seventh of the computation time of other tuning methods, while achieving better or similar prediction accuracy.

cs.LG↗

arXiv2018

A unified software framework for solving traffic assignment problems

We describe a software framework for solving user equilibrium traffic assignment problems. The design is based on the formulation of the problem as a variational inequality. The software implements these as well as several numerical methods for find equilirbria. We compare the solutions obtained under several models: static, Merchant-Nemhauser, `CTM with instantaneous travel time', and `CTM with actual travel time'. Some important differences are demonstrated.

cs.DC↗

arXiv2016

An efficient basis set representation for calculating electrons in molecules

The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one- and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. The calculation of contracted two-electron matrix elements among orbitals requires only O(N log(N)) multiplication operations, not O(N^4), where N is the number of basis functions; N = n^3 on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionization potentials are reported for one- (He^+, H_2^+ ), two- (H_2, He), ten- (CH_4) and 56-electron (C_8H_8) systems.

physics.chem-ph↗

arXiv2015

A distributed-memory package for dense Hierarchically Semi-Separable matrix computations using randomization

We present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use Hierarchically Semi-Separable representations (HSS). Such matrices appear in many applications, e.g., finite element methods, boundary element methods, etc. Exploiting this structure allows for fast solution of linear systems and/or fast computation of matrix-vector products, which are the two main building blocks of matrix computations. The compression algorithm that we use, that computes the HSS form of an input dense matrix, relies on randomized sampling with a novel adaptive sampling mechanism. We discuss the parallelization of this algorithm and also present the parallelization of structured matrix-vector product, structured factorization and solution routines. The efficiency of the approach is demonstrated on large problems from different academic and industrial applications, on up to 8,000 cores. This work is part of a more global effort, the STRUMPACK (STRUctured Matrices PACKage) software package for computations with sparse and dense structured matrices. Hence, although useful on their own right, the routines also represent a step in the direction of a distributed-memory sparse solver.

cs.MS↗

arXiv2015

An efficient multi-core implementation of a novel HSS-structured multifrontal solver using randomized sampling

We present a sparse linear system solver that is based on a multifrontal variant of Gaussian elimination, and exploits low-rank approximation of the resulting dense frontal matrices. We use hierarchically semiseparable (HSS) matrices, which have low-rank off-diagonal blocks, to approximate the frontal matrices. For HSS matrix construction, a randomized sampling algorithm is used together with interpolative decompositions. The combination of the randomized compression with a fast ULV HSS factorization leads to a solver with lower computational complexity than the standard multifrontal method for many applications, resulting in speedups up to 7 fold for problems in our test suite. The implementation targets many-core systems by using task parallelism with dynamic runtime scheduling. Numerical experiments show performance improvements over state-of-the-art sparse direct solvers. The implementation achieves high performance and good scalability on a range of modern shared memory parallel systems, including the Intel Xeon Phi (MIC). The code is part of a software package called STRUMPACK -- STRUctured Matrices PACKage, which also has a distributed memory component for dense rank-structured matrices.

cs.MS↗