Pei-Hung Lin

Le Chen, Nuo Xu, Winson Chen et al.

Large language models (LLMs) have shown remarkable capabilities in code translation, yet their performance deteriorates in low-resource programming domains such as Fortran and emerging frameworks like CUDA, where high-quality parallel data are scarce. We present an automated dataset generation pipeline featuring a dual-LLM Questioner-Solver design that incorporates external knowledge from compilers and runtime feedback. Beyond traditional source-target code pair datasets, our approach additionally generates (1) verified translations with unit tests for assessing functional consistency and (2) multi-turn dialogues that capture the reasoning process behind translation refinement. Applied to Fortran-to-C++ and C++-to-CUDA, the pipeline yields 3.64k and 3.93k dialogues, respectively. Fine-tuning on this data yields dramatic improvements in functional correctness, boosting unit test success rates by over 56% on the challenging C++-to-CUDA task. We show that the generated data enables a 7B open-weight model to significantly outperform larger proprietary systems on key metrics like compilation success.

Xianzhong Ding, Le Chen, Murali Emani et al.

Large Language Models (LLMs), including the LLaMA model, have exhibited their efficacy across various general-domain natural language processing (NLP) tasks. However, their performance in high-performance computing (HPC) domain tasks has been less than optimal due to the specialized expertise required to interpret the model responses. In response to this challenge, we propose HPC-GPT, a novel LLaMA-based model that has been supervised fine-tuning using generated QA (Question-Answer) instances for the HPC domain. To evaluate its effectiveness, we concentrate on two HPC tasks: managing AI models and datasets for HPC, and data race detection. By employing HPC-GPT, we demonstrate comparable performance with existing methods on both tasks, exemplifying its excellence in HPC-related scenarios. Our experiments on open-source benchmarks yield extensive results, underscoring HPC-GPT's potential to bridge the performance gap between LLMs and HPC-specific tasks. With HPC-GPT, we aim to pave the way for LLMs to excel in HPC domains, simplifying the utilization of language models in complex computing applications.

Bin Lei, Caiwen Ding, Le Chen et al.

In this study, we present a novel dataset for training machine learning models translating between OpenMP Fortran and C++ code. To ensure reliability and applicability, the dataset is created from a range of representative open-source OpenMP benchmarks. It is also refined using a meticulous code similarity test. The effectiveness of our dataset is assessed using both quantitative (CodeBLEU) and qualitative (human evaluation) methods. We showcase how this dataset significantly elevates the translation competencies of large language models (LLMs). Specifically, models without prior coding knowledge experienced a boost of $\mathbf{\times~5.1}$ in their CodeBLEU scores, while models with some coding familiarity saw an impressive $\mathbf{\times~9.9}$-fold increase. The best fine-tuned model using our dataset outperforms GPT-4. It is also reaching human-level accuracy. This work underscores the immense potential of our dataset in propelling advancements in the domain of code translation for high-performance computing. The dataset is accessible at \href{https://github.com/bin123apple/Fortran-CPP-HPC-code-translation-dataset}{OpenMP-Fortran-CPP-Translation}.

Le Chen, Xianzhong Ding, Murali Emani et al.

Large language models (LLMs) are demonstrating significant promise as an alternate strategy to facilitate analyses and optimizations of high-performance computing programs, circumventing the need for resource-intensive manual tool creation. In this paper, we explore a novel LLM-based data race detection approach combining prompting engineering and fine-tuning techniques. We create a dedicated dataset named DRB-ML, which is derived from DataRaceBench, with fine-grain labels showing the presence of data race pairs and their associated variables, line numbers, and read/write information. DRB-ML is then used to evaluate representative LLMs and fine-tune open-source ones. Our experiment shows that LLMs can be a viable approach to data race detection. However, they still cannot compete with traditional data race detection tools when we need detailed information about variable pairs causing data races.

Bin Lei, pei-Hung Lin, Chunhua Liao et al.

Recent advancements in large-scale models, such as GPT-4, have showcased remarkable capabilities in addressing standard queries. However, when facing complex problems that require multi-step logical reasoning, their accuracy dramatically decreases. Current research has explored the realm of \textit{prompting engineering} to bolster the inferential capacities of these models. Our paper unveils a pioneering prompting technique, dubbed \textit{Graph of Thoughts (GoT)}. Through testing on a trio of escalating challenges: the 24-point game, resolution of high-degree polynomial equations, and derivation of formulas for recursive sequences, our method outperformed GPT-4, achieving accuracy improvements of $89.7\%$, $86\%$, and $56\%$ for each respective task. Moreover, when juxtaposed with the state-of-the-art (SOTA) prompting method, \textit{Tree of Thought (ToT)}, our approach registered an average accuracy boost of $23\%$, $24\%$, and $15\%$.

Le Chen, Pei-Hung Lin, Tristan Vanderbruggen et al.

In recent years, language models (LMs), such as GPT-4, have been widely used in multiple domains, including natural language processing, visualization, and so on. However, applying them for analyzing and optimizing high-performance computing (HPC) software is still challenging due to the lack of HPC-specific support. In this paper, we design the LM4HPC framework to facilitate the research and development of HPC software analyses and optimizations using LMs. Tailored for supporting HPC datasets, AI models, and pipelines, our framework is built on top of a range of components from different levels of the machine learning software stack, with Hugging Face-compatible APIs. Using three representative tasks, we evaluated the prototype of our framework. The results show that LM4HPC can help users quickly evaluate a set of state-of-the-art models and generate insightful leaderboards.

Patrick Flynn, Tristan Vanderbruggen, Chunhua Liao et al.

Programming Language Processing (PLP) using machine learning has made vast improvements in the past few years. Increasingly more people are interested in exploring this promising field. However, it is challenging for new researchers and developers to find the right components to construct their own machine learning pipelines, given the diverse PLP tasks to be solved, the large number of datasets and models being released, and the set of complex compilers or tools involved. To improve the findability, accessibility, interoperability and reusability (FAIRness) of machine learning components, we collect and analyze a set of representative papers in the domain of machine learning-based PLP. We then identify and characterize key concepts including PLP tasks, model architectures and supportive tools. Finally, we show some example use cases of leveraging the reusable components to construct machine learning pipelines to solve a set of PLP tasks.

Bin Lei, Sheng Lin, Pei-Hung Lin et al.

Biologically-inspired Spiking Neural Networks (SNNs), processing information using discrete-time events known as spikes rather than continuous values, have garnered significant attention due to their hardware-friendly and energy-efficient characteristics. However, the training of SNNs necessitates a considerably large memory footprint, given the additional storage requirements for spikes or events, leading to a complex structure and dynamic setup. In this paper, to address memory constraint in SNN training, we introduce an innovative framework, characterized by a remarkably low memory footprint. We \textbf{(i)} design a reversible SNN node that retains a high level of accuracy. Our design is able to achieve a $\mathbf{58.65\times}$ reduction in memory usage compared to the current SNN node. We \textbf{(ii)} propose a unique algorithm to streamline the backpropagation process of our reversible SNN node. This significantly trims the backward Floating Point Operations Per Second (FLOPs), thereby accelerating the training process in comparison to current reversible layer backpropagation method. By using our algorithm, the training time is able to be curtailed by $\mathbf{23.8\%}$ relative to existing reversible layer architectures.

Tristan Vanderbruggen, Chunhua Liao, Peter Pirkelbauer et al.

In recent months, Language Models (LMs) have become a part of daily discourse, with focus on OpenAI and the potential of Artificial General Intelligence (AGI). Furthermore, the leaking of LLama's weights to the public has led to an influx of innovations demonstrating the impressive capabilities of generative LMs. While we believe that AGI is still a distant goal, we recognize the potential of LMs in solving tasks such as searching complex documents, compiling reports with basic analysis, and providing assistance in problem-solving. In this paper, we propose formalizing the execution model of language models. We investigate current execution models, to find that this formalism has received little attention, and present our contribution: the first formalized execution model for LMs. We introduce a new algorithm for sampling the predictions of LMs, which we use to build a reliable and inspectable execution model. We introduce a low-level language to write "cognitive program" for this execution model. We hope to shed light on the need for execution models for LMs and encourage further research in this area.

Pei-Hung Lin, Chunhua Liao, Winson Chen et al.

The FAIR Guiding Principles aim to improve the findability, accessibility, interoperability, and reusability of digital content by making them both human and machine actionable. However, these principles have not yet been broadly adopted in the domain of machine learning-based program analyses and optimizations for High-Performance Computing (HPC). In this paper, we design a methodology to make HPC datasets and machine learning models FAIR after investigating existing FAIRness assessment and improvement techniques. Our methodology includes a comprehensive, quantitative assessment for elected data, followed by concrete, actionable suggestions to improve FAIRness with respect to common issues related to persistent identifiers, rich metadata descriptions, license and provenance information. Moreover, we select a representative training dataset to evaluate our methodology. The experiment shows the methodology can effectively improve the dataset and model's FAIRness from an initial score of 19.1% to the final score of 83.0%.

Le Chen, Bin Lei, Dunzhi Zhou et al.

Translating legacy Fortran code into C++ is a crucial step in modernizing high-performance computing (HPC) applications. However, the scarcity of high-quality, parallel Fortran-to-C++ datasets and the limited domain-specific expertise in large language models (LLMs) present significant challenges for automated translation. In this paper, we introduce Fortran2CPP, a multi-turn dialogue dataset generated by a novel LLM agent-based approach that integrates a dual-LLM Questioner-Solver module to enhance translation accuracy. Our dataset comprises 11.7k dialogues capturing iterative feedback-decision workflows including code translation, compilation, execution, unit testing, and error-fixing. Using this dataset, we fine-tune several open-weight LLMs and achieve up to a 3.31x improvement in CodeBLEU scores and a 92\% increase in compilation success rate, demonstrating enhanced syntactic accuracy and functional reliability. Our findings highlight the value of dialogue-based LLM training for complex code translation tasks. The dataset and model have been open-sourced and are available on our public GitHub repository\footnote{\url{https://github.com/HPC-Fortran2CPP/Fortran2Cpp}}.

Ruimin Shi, Maya Gokhale, Pei-Hung Lin et al.

The RISC-V Vector Extension~(RVV) is a cornerstone for supporting compute throughout in scientific and machine learning workloads. Yet compiler support and performance monitoring on real RVV~1.0 hardware are still evolving. In this work, we design a suite of assembly microbenchmarks to establish performance ceilings and calibrate performance counters on RVV hardware. Leveraging the assembly benchmarks, we find that predication overhead and stride load pose performance challenges that current compiler cost models do not yet fully address. Moreover, we present the first evaluation of GCC~15 and LLVM~21 autovectorization in HPC and ML proxy applications. GCC~15 outperforms LLVM~21 in four out of six applications. LLVM~21 only outperforms GCC~15 in SGEMM and DGEMM, driven by more aggressive instruction reduction confirmed through validated \texttt{perf} counters on the RVV hardware. We further show that the default LMUL selection in compilers performs close to the optimal. To study the RVV support for product-level application, we also evaluate the state-vector quantum simulator, Google's Qsim, with both manual RVV intrinsics and compiler auto-vectorization, revealing immaturity in current RVV compiler for complicated memory access pattern.

Ruimin Shi, Gabin Schieffer, Pei-Hung Lin et al.

ARM SVE and RISC-V RVV are emerging vector architectures in high-end processors that support vectorization of flexible vector length. In this work, we leverage an important workload for quantum computing, quantum state-vector simulations, to understand whether high-performance portability can be achieved in a vector-length agnostic (VLA) design. We propose a VLA design and optimization techniques critical for achieving high performance, including VLEN-adaptive memory layout adjustment, load buffering, fine-grained loop control, and gate fusion-based arithmetic intensity adaptation. We provide an implementation in Google's Qsim and evaluate five quantum circuits of up to 36 qubits on three ARM processors, including NVIDIA Grace, AWS Graviton3, and Fujitsu A64FX. By defining new metrics and PMU events to quantify vectorization activities, we draw generic insights for future VLA designs. Our single-source implementation of VLA quantum simulations achieves up to 4.5x speedup on A64FX, 2.5x speedup on Grace, and 1.5x speedup on Graviton.