arXiv subjects

Xingfu Wu

Publications and source records attributed to Xingfu Wu.

At least 19 recordsLinked to original sources

arXiv2026

Multi-Dataset Inverse Problem Solving with Distributed Generative AI

Extracting a shared set of unknown, not directly measurable quantities from multiple, heterogeneous datasets is a common challenge across scientific domains. A prominent example is the combination of datasets obtained from different measurements with different settings (e.g. varying detector resolutions). Analyzing such datasets jointly, rather than independently or after naive merging, is essential for obtaining precise and unbiased estimates of the unknowns, but requires careful treatment of dataset heterogeneity and is computationally demanding. We present a generalized framework for simultaneously analyzing multiple heterogeneous datasets in the context of generative AI-based inverse problem solvers. Building on our recent Scalable Asynchronous Generative Inverse Problem Solver (SAGIPS) framework, we extend the well-established distributed data-parallel training paradigm to non-identically distributed datasets, where each dataset is controlled by the same set of unknown inference parameters but covers a different region of the available feature space. Each dataset is processed through its own forward operator and discriminator, providing complementary constraints that collectively guide a shared generator toward global parameter consistency. We validate the approach using a controlled setup inspired by a multi-detector scattering experiment. We provide numerical evidence that our framework is robust to different data fidelities, which arise from unknown detector systematics in the Rutherford experiment, and we show the scaling behavior on multi-GPU leadership computing systems. The results show that our approach is well suited for real-world multi-dataset analyses in which experimental conditions vary across measurements.

cs.DC↗

arXiv2025

Coordinated Power Management on Heterogeneous Systems

Performance prediction is essential for energy-efficient computing in heterogeneous computing systems that integrate CPUs and GPUs. However, traditional performance modeling methods often rely on exhaustive offline profiling, which becomes impractical due to the large setting space and the high cost of profiling large-scale applications. In this paper, we present OPEN, a framework consists of offline and online phases. The offline phase involves building a performance predictor and constructing an initial dense matrix. In the online phase, OPEN performs lightweight online profiling, and leverages the performance predictor with collaborative filtering to make performance prediction. We evaluate OPEN on multiple heterogeneous systems, including those equipped with A100 and A30 GPUs. Results show that OPEN achieves prediction accuracy up to 98.29\%. This demonstrates that OPEN effectively reduces profiling cost while maintaining high accuracy, making it practical for power-aware performance modeling in modern HPC environments. Overall, OPEN provides a lightweight solution for performance prediction under power constraints, enabling better runtime decisions in power-aware computing environments.

cs.DC↗

arXiv2025

Generalizing Scaling Laws for Dense and Sparse Large Language Models

Despite recent advancements of large language models (LLMs), optimally predicting the model size for LLM pretraining or allocating optimal resources still remains a challenge. Several efforts have addressed the challenge by proposing different empirical scaling laws, but almost all of them are architecture-specific (dense or sparse). In this work we revisit existing empirical scaling laws and propose a generalized scaling law to provide a unified framework that is applicable to both dense and sparse large language models. We evaluate and compare our proposed scaling law with existing scaling laws and demonstrate that our proposed scaling law captures the scaling behavior of existing scaling laws. Further, we show an IsoFLOP comparison between our proposed scaling law and the state-of-the-art scaling law to illustrate the effectiveness of our proposed scaling law for Mixture-of-Expert (MoE)-based very large LLMs like DeepSeek-V3. Our proposed scaling law can be used to estimate the best model hyperparameters (Model size, Tokens and Compute) for a given sparsity or to identify the optimal sparsity for the given model hyperparameters.

cs.LG↗

arXiv2025

Leveraging LLMs to Automate Energy-Aware Refactoring of Parallel Scientific Codes

Large language models (LLMs) are increasingly used for generating parallel scientific codes, with a primary focus on generating functionally correct code. Recent work has focused on generating performant code, with an emphasis on its execution time. However, energy efficiency is now recognized as a critical objective, given the significant power demands of large-scale compute systems. This paper addresses the research question of whether LLMs can generate energy-efficient parallel scientific codes when guided by empirical execution feedback. To answer this question, we propose LASSI-EE, an automated LLM-based refactoring framework that generates energy-efficient parallel codes through a multi-stage, iterative approach integrating runtime power profiling, energy-aware prompting, self-correcting feedback loops, and an LLM-as-a-Judge agent for screening generated code. We evaluate LASSI-EE using twenty-two representative scientific benchmarks and applications on NVIDIA A100 and AMD MI100 GPUs. The results indicate an average energy reduction of 36% for MI100 and 34% for A100, across trials that produced passing energy-reducing refactorings.

cs.AI↗

arXiv2025

LASSI: An LLM-based Automated Self-Correcting Pipeline for Translating Parallel Scientific Codes

This paper addresses the problem of providing a novel approach to sourcing significant training data for LLMs focused on science and engineering. In particular, a crucial challenge is sourcing parallel scientific codes in the ranges of millions to billions of codes. To tackle this problem, we propose an automated pipeline framework called LASSI, designed to translate between parallel programming languages by bootstrapping existing closed- or open-source LLMs. LASSI incorporates autonomous enhancement through self-correcting loops where errors encountered during the compilation and execution of generated code are fed back to the LLM through guided prompting for debugging and refactoring. We highlight the bi-directional translation of existing GPU benchmarks between OpenMP target offload and CUDA to validate LASSI. The results of evaluating LASSI with different application codes across four LLMs demonstrate the effectiveness of LASSI for generating executable parallel codes, with 80% of OpenMP to CUDA translations and 85% of CUDA to OpenMP translations producing the expected output. We also observe approximately 78% of OpenMP to CUDA translations and 62% of CUDA to OpenMP translations execute within 10% of or at a faster runtime than the original benchmark code in the same language.

cs.SE↗

arXiv2024

An Autotuning-based Optimization Framework for Mixed-kernel SVM Classifications in Smart Pixel Datasets and Heterojunction Transistors

Support Vector Machine (SVM) is a state-of-the-art classification method widely used in science and engineering due to its high accuracy, its ability to deal with high dimensional data, and its flexibility in modeling diverse sources of data. In this paper, we propose an autotuning-based optimization framework to quantify the ranges of hyperparameters in SVMs to identify their optimal choices, and apply the framework to two SVMs with the mixed-kernel between Sigmoid and Gaussian kernels for smart pixel datasets in high energy physics (HEP) and mixed-kernel heterojunction transistors (MKH). Our experimental results show that the optimal selection of hyperparameters in the SVMs and the kernels greatly varies for different applications and datasets, and choosing their optimal choices is critical for a high classification accuracy of the mixed kernel SVMs. Uninformed choices of hyperparameters C and coef0 in the mixed-kernel SVMs result in severely low accuracy, and the proposed framework effectively quantifies the proper ranges for the hyperparameters in the SVMs to identify their optimal choices to achieve the highest accuracy 94.6\% for the HEP application and the highest average accuracy 97.2\% with far less tuning time for the MKH application.

cs.LG↗

arXiv2024

Co-Design of 2D Heterojunctions for Data Filtering in Tracking Systems

As particle physics experiments evolve to achieve higher energies and resolutions, handling the massive data volumes produced by silicon pixel detectors, which are used for charged particle tracking, poses a significant challenge. To address the challenge of data transport from high resolution tracking systems, we investigate a support vector machine (SVM)-based data classification system designed to reject low-momentum particles in real-time. This SVM system achieves high accuracy through the use of a customized mixed kernel function, which is specifically adapted to the data recorded by a silicon tracker. Moreover, this custom kernel can be implemented using highly efficient, novel van der Waals heterojunction devices. This study demonstrates the co-design of circuits with applications that may be adapted to meet future device and processing needs in high-energy physics (HEP) collider experiments.

physics.ins-det↗

arXiv2024

Integrating ytopt and libEnsemble to Autotune OpenMC

ytopt is a Python machine-learning-based autotuning software package developed within the ECP PROTEAS-TUNE project. The ytopt software adopts an asynchronous search framework that consists of sampling a small number of input parameter configurations and progressively fitting a surrogate model over the input-output space until exhausting the user-defined maximum number of evaluations or the wall-clock time. libEnsemble is a Python toolkit for coordinating workflows of asynchronous and dynamic ensembles of calculations across massively parallel resources developed within the ECP PETSc/TAO project. libEnsemble helps users take advantage of massively parallel resources to solve design, decision, and inference problems and expands the class of problems that can benefit from increased parallelism. In this paper we present our methodology and framework to integrate ytopt and libEnsemble to take advantage of massively parallel resources to accelerate the autotuning process. Specifically, we focus on using the proposed framework to autotune the ECP ExaSMR application OpenMC, an open source Monte Carlo particle transport code. OpenMC has seven tunable parameters some of which have large ranges such as the number of particles in-flight, which is in the range of 100,000 to 8 million, with its default setting of 1 million. Setting the proper combination of these parameter values to achieve the best performance is extremely time-consuming. Therefore, we apply the proposed framework to autotune the MPI/OpenMP offload version of OpenMC based on a user-defined metric such as the figure of merit (FoM) (particles/s) or energy efficiency energy-delay product (EDP) on Crusher at Oak Ridge Leadership Computing Facility. The experimental results show that we achieve improvement up to 29.49\% in FoM and up to 30.44\% in EDP.

cs.PF↗

arXiv2024

Modeling Performance of Data Collection Systems for High-Energy Physics

Exponential increases in scientific experimental data are outstripping the rate of progress in silicon technology. As a result, heterogeneous combinations of architectures and process or device technologies are increasingly important to meet the computing demands of future scientific experiments. However, the complexity of heterogeneous computing systems requires systematic modeling to understand performance. We present a model which addresses this need by framing key aspects of data collection pipelines and constraints, and combines them with the important vectors of technology that shape alternatives, computing metrics that allow complex alternatives to be compared. For instance, a data collection pipeline may be characterized by parameters such as sensor sampling rates, amount of data collected, and the overall relevancy of retrieved samples. Alternatives to this pipeline are enabled by hardware development vectors including advancing CMOS, GPUs, neuromorphic computing, and edge computing. By calculating metrics for each alternative such as overall F1 score, power, hardware cost, and energy expended per relevant sample, this model allows alternate data collection systems to be rigorously compared. To demonstrate this model's capability, we apply it to the CMS experiment (and planned HL-LHC upgrade) to evaluate and compare the application of novel technologies in the data acquisition system (DAQ). We demonstrate that improvements to early stages in the DAQ are highly beneficial, greatly reducing the resources required at later stages of processing (such as a 60% power reduction) and increasing the amount of relevant data retrieved from the experiment per unit power (improving from 0.065 to 0.31 samples/kJ) However, we predict further advances will be required in order to meet overall power and cost constraints for the DAQ.

cs.DC↗

arXiv2024

SAGIPS: A Scalable Asynchronous Generative Inverse Problem Solver

Large scale, inverse problem solving deep learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem often poses challenges to the algorithm and requires the proper utilization of high-performance computing systems. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduces a \underline{S}calable \underline{A}synchronous \underline{G}enerative workflow for solving \underline{I}nverse \underline{P}roblems \underline{S}olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes a parallelization approach where the gradients of the generator network are updated in an asynchronous ring-all-reduce fashion. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging GANs across multiple GPUs, promising advancements in solving complex inverse problems at scale.

cs.DC↗

arXiv2024

Transfer-Learning-Based Autotuning Using Gaussian Copula

As diverse high-performance computing (HPC) systems are built, many opportunities arise for applications to solve larger problems than ever before. Given the significantly increased complexity of these HPC systems and application tuning, empirical performance tuning, such as autotuning, has emerged as a promising approach in recent years. Despite its effectiveness, autotuning is often a computationally expensive approach. Transfer learning (TL)-based autotuning seeks to address this issue by leveraging the data from prior tuning. Current TL methods for autotuning spend significant time modeling the relationship between parameter configurations and performance, which is ineffective for few-shot (that is, few empirical evaluations) tuning on new tasks. We introduce the first generative TL-based autotuning approach based on the Gaussian copula (GC) to model the high-performing regions of the search space from prior data and then generate high-performing configurations for new tasks. This allows a sampling-based approach that maximizes few-shot performance and provides the first probabilistic estimation of the few-shot budget for effective TL-based autotuning. We compare our generative TL approach with state-of-the-art autotuning techniques on several benchmarks. We find that the GC is capable of achieving 64.37% of peak few-shot performance in its first evaluation. Furthermore, the GC model can determine a few-shot transfer budget that yields up to 33.39$\times$ speedup, a dramatic improvement over the 20.58$\times$ speedup using prior techniques.

cs.LG↗

arXiv2023

Autotuning Apache TVM-based Scientific Applications Using Bayesian Optimization

Apache TVM (Tensor Virtual Machine), an open source machine learning compiler framework designed to optimize computations across various hardware platforms, provides an opportunity to improve the performance of dense matrix factorizations such as LU (Lower Upper) decomposition and Cholesky decomposition on GPUs and AI (Artificial Intelligence) accelerators. In this paper, we propose a new TVM autotuning framework using Bayesian Optimization and use the TVM tensor expression language to implement linear algebra kernels such as LU, Cholesky, and 3mm. We use these scientific computation kernels to evaluate the effectiveness of our methods on a GPU cluster, called Swing, at Argonne National Laboratory. We compare the proposed autotuning framework with the TVM autotuning framework AutoTVM with four tuners and find that our framework outperforms AutoTVM in most cases.

cs.LG↗

arXiv2023

ytopt: Autotuning Scientific Applications for Energy Efficiency at Large Scales

As we enter the exascale computing era, efficiently utilizing power and optimizing the performance of scientific applications under power and energy constraints has become critical and challenging. We propose a low-overhead autotuning framework to autotune performance and energy for various hybrid MPI/OpenMP scientific applications at large scales and to explore the tradeoffs between application runtime and power/energy for energy efficient application execution, then use this framework to autotune four ECP proxy applications -- XSBench, AMG, SWFFT, and SW4lite. Our approach uses Bayesian optimization with a Random Forest surrogate model to effectively search parameter spaces with up to 6 million different configurations on two large-scale production systems, Theta at Argonne National Laboratory and Summit at Oak Ridge National Laboratory. The experimental results show that our autotuning framework at large scales has low overhead and achieves good scalability. Using the proposed autotuning framework to identify the best configurations, we achieve up to 91.59% performance improvement, up to 21.2% energy savings, and up to 37.84% EDP improvement on up to 4,096 nodes.

cs.DC↗

arXiv2021

Customized Monte Carlo Tree Search for LLVM/Polly's Composable Loop Optimization Transformations

Polly is the LLVM project's polyhedral loop nest optimizer. Recently, user-directed loop transformation pragmas were proposed based on LLVM/Clang and Polly. The search space exposed by the transformation pragmas is a tree, wherein each node represents a specific combination of loop transformations that can be applied to the code resulting from the parent node's loop transformations. We have developed a search algorithm based on Monte Carlo tree search (MCTS) to find the best combination of loop transformations. Our algorithm consists of two phases: exploring loop transformations at different depths of the tree to identify promising regions in the tree search space and exploiting those regions by performing a local search. Moreover, a restart mechanism is used to avoid the MCTS getting trapped in a local solution. The best and worst solutions are transferred from the previous phases of the restarts to leverage the search history. We compare our approach with random, greedy, and breadth-first search methods on PolyBench kernels and ECP proxy applications. Experimental results show that our MCTS algorithm finds pragma combinations with a speedup of 2.3x over Polly's heuristic optimizations on average.

cs.PL↗

arXiv2021

Autotuning PolyBench Benchmarks with LLVM Clang/Polly Loop Optimization Pragmas Using Bayesian Optimization (extended version)

In this paper, we develop a ytopt autotuning framework that leverages Bayesian optimization to explore the parameter space search and compare four different supervised learning methods within Bayesian optimization and evaluate their effectiveness. We select six of the most complex PolyBench benchmarks and apply the newly developed LLVM Clang/Polly loop optimization pragmas to the benchmarks to optimize them. We then use the autotuning framework to optimize the pragma parameters to improve their performance. The experimental results show that our autotuning approach outperforms the other compiling methods to provide the smallest execution time for the benchmarks syr2k, 3mm, heat-3d, lu, and covariance with two large datasets in 200 code evaluations for effectively searching the parameter spaces with up to 170,368 different configurations. We find that the Floyd-Warshall benchmark did not benefit from autotuning because Polly uses heuristics to optimize the benchmark to make it run much slower. To cope with this issue, we provide some compiler option solutions to improve the performance. Then we present loop autotuning without a user's knowledge using a simple mctree autotuning framework to further improve the performance of the Floyd-Warshall benchmark. We also extend the ytopt autotuning framework to tune a deep learning application.

cs.LG↗

arXiv2020

Utilizing Ensemble Learning for Performance and Power Modeling and Improvement of Parallel Cancer Deep Learning CANDLE Benchmarks

Machine learning (ML) continues to grow in importance across nearly all domains and is a natural tool in modeling to learn from data. Often a tradeoff exists between a model's ability to minimize bias and variance. In this paper, we utilize ensemble learning to combine linear, nonlinear, and tree-/rule-based ML methods to cope with the bias-variance tradeoff and result in more accurate models. Hardware performance counter values are correlated with properties of applications that impact performance and power on the underlying system. We use the datasets collected for two parallel cancer deep learning CANDLE benchmarks, NT3 (weak scaling) and P1B2 (strong scaling), to build performance and power models based on hardware performance counters using single-object and multiple-objects ensemble learning to identify the most important counters for improvement. Based on the insights from these models, we improve the performance and energy of P1B2 and NT3 by optimizing the deep learning environments TensorFlow, Keras, Horovod, and Python under the huge page size of 8 MB on the Cray XC40 Theta at Argonne National Laboratory. Experimental results show that ensemble learning not only produces more accurate models but also provides more robust performance counter ranking. We achieve up to 61.15% performance improvement and up to 62.58% energy saving for P1B2 and up to 55.81% performance improvement and up to 52.60% energy saving for NT3 on up to 24,576 cores.

cs.LG↗

arXiv2020

Performance and Power Modeling and Prediction Using MuMMI and Ten Machine Learning Methods

In this paper, we use modeling and prediction tool MuMMI (Multiple Metrics Modeling Infrastructure) and ten machine learning methods to model and predict performance and power and compare their prediction error rates. We use a fault-tolerant linear algebra code and a fault-tolerant heat distribution code to conduct our modeling and prediction study on the Cray XC40 Theta and IBM BG/Q Mira at Argonne National Laboratory and the Intel Haswell cluster Shepard at Sandia National Laboratories. Our experiment results show that the prediction error rates in performance and power using MuMMI are less than 10% for most cases. Based on the models for runtime, node power, CPU power, and memory power, we identify the most significant performance counters for potential optimization efforts associated with the application characteristics and the target architectures, and we predict theoretical outcomes of the potential optimizations. When we compare the prediction accuracy using MuMMI with that using 10 machine learning methods, we observe that MuMMI not only results in more accurate prediction in both performance and power but also presents how performance counters impact the performance and power models. This provides some insights about how to fine-tune the applications and/or systems for energy efficiency.

cs.LG↗

arXiv2020

Autotuning PolyBench Benchmarks with LLVM Clang/Polly Loop Optimization Pragmas Using Bayesian Optimization

An autotuning is an approach that explores a search space of possible implementations/configurations of a kernel or an application by selecting and evaluating a subset of implementations/configurations on a target platform and/or use models to identify a high performance implementation/configuration. In this paper, we develop an autotuning framework that leverages Bayesian optimization to explore the parameter space search. We select six of the most complex benchmarks from the application domains of the PolyBench benchmarks (syr2k, 3mm, heat-3d, lu, covariance, and Floyd-Warshall) and apply the newly developed LLVM Clang/Polly loop optimization pragmas to the benchmarks to optimize them. We then use the autotuning framework to optimize the pragma parameters to improve their performance. The experimental results show that our autotuning approach outperforms the other compiling methods to provide the smallest execution time for the benchmarks syr2k, 3mm, heat-3d, lu, and covariance with two large datasets in 200 code evaluations for effectively searching the parameter spaces with up to 170,368 different configurations. We compare four different supervised learning methods within Bayesian optimization and evaluate their effectiveness. We find that the Floyd-Warshall benchmark did not benefit from autotuning because Polly uses heuristics to optimize the benchmark to make it run much slower. To cope with this issue, we provide some compiler option solutions to improve the performance.

cs.PF↗