CompCodeVet: A Compiler-guided Validation and Enhancement Approach for Code Dataset

Large language models (LLMs) have become increasingly prominent in academia and industry due to their remarkable performance in diverse applications. As these models evolve with increasing parameters, they excel in tasks like sentiment analysis and machine translation. However, even models with billions of parameters face challenges in tasks demanding multi-step reasoning. Code generation and comprehension, especially in C and C++, emerge as significant challenges. While LLMs trained on code datasets demonstrate competence in many tasks, they struggle with rectifying non-compilable C and C++ code. Our investigation attributes this subpar performance to two primary factors: the quality of the training dataset and the inherent complexity of the problem which demands intricate reasoning. Existing "Chain of Thought" (CoT) prompting techniques aim to enhance multi-step reasoning. This approach, however, retains the limitations associated with the latent drawbacks of LLMs. In this work, we propose CompCodeVet, a compiler-guided CoT approach to produce compilable code from non-compilable ones. Diverging from the conventional approach of utilizing larger LLMs, we employ compilers as a teacher to establish a more robust zero-shot thought process. The evaluation of CompCodeVet on two open-source code datasets shows that CompCodeVet has the ability to improve the training dataset quality for LLMs.

Scope is all you need: Transforming LLMs for HPC Code

With easier access to powerful compute resources, there is a growing trend in the field of AI for software development to develop larger and larger language models (LLMs) to address a variety of programming tasks. Even LLMs applied to tasks from the high-performance computing (HPC) domain are huge in size (e.g., billions of parameters) and demand expensive compute resources for training. We found this design choice confusing - why do we need large LLMs trained on natural languages and programming languages unrelated to HPC for HPC-specific tasks? In this line of work, we aim to question design choices made by existing LLMs by developing smaller LLMs for specific domains - we call them domain-specific LLMs. Specifically, we start off with HPC as a domain and propose a novel tokenizer named Tokompiler, designed specifically for preprocessing code in HPC and compilation-centric tasks. Tokompiler leverages knowledge of language primitives to generate language-oriented tokens, providing a context-aware understanding of code structure while avoiding human semantics attributed to code structures completely. We applied Tokompiler to pre-train two state-of-the-art models, SPT-Code and Polycoder, for a Fortran code corpus mined from GitHub. We evaluate the performance of these models against the conventional LLMs. Results demonstrate that Tokompiler significantly enhances code completion accuracy and semantic understanding compared to traditional tokenizers in normalized-perplexity tests, down to ~1 perplexity score. This research opens avenues for further advancements in domain-specific LLMs, catering to the unique demands of HPC and compilation tasks.

Explainable Multi-View Deep Networks Methodology for Experimental Physics

Physical experiments often involve multiple imaging representations, such as X-ray scans and microscopic images. Deep learning models have been widely used for supervised analysis in these experiments. Combining different image representations is frequently required to analyze and make a decision properly. Consequently, multi-view data has emerged - datasets where each sample is described by views from different angles, sources, or modalities. These problems are addressed with the concept of multi-view learning. Understanding the decision-making process of deep learning models is essential for reliable and credible analysis. Hence, many explainability methods have been devised recently. Nonetheless, there is a lack of proper explainability in multi-view models, which are challenging to explain due to their architectures. In this paper, we suggest different multi-view architectures for the vision domain, each suited to another problem, and we also present a methodology for explaining these models. To demonstrate the effectiveness of our methodology, we focus on the domain of High Energy Density Physics (HEDP) experiments, where multiple imaging representations are used to assess the quality of foam samples. We apply our methodology to classify the foam samples quality using the suggested multi-view architectures. Through experimental results, we showcase the improvement of accurate architecture choice on both accuracy - 78% to 84% and AUC - 83% to 93% and present a trade-off between performance and explainability. Specifically, we demonstrate that our approach enables the explanation of individual one-view models, providing insights into the decision-making process of each view. This understanding enhances the interpretability of the overall multi-view model. The sources of this work are available at: https://github.com/Scientific-Computing-Lab-NRCN/Multi-View-Explainability.

Advising OpenMP Parallelization via a Graph-Based Approach with Transformers

There is an ever-present need for shared memory parallelization schemes to exploit the full potential of multi-core architectures. The most common parallelization API addressing this need today is OpenMP. Nevertheless, writing parallel code manually is complex and effort-intensive. Thus, many deterministic source-to-source (S2S) compilers have emerged, intending to automate the process of translating serial to parallel code. However, recent studies have shown that these compilers are impractical in many scenarios. In this work, we combine the latest advancements in the field of AI and natural language processing (NLP) with the vast amount of open-source code to address the problem of automatic parallelization. Specifically, we propose a novel approach, called OMPify, to detect and predict the OpenMP pragmas and shared-memory attributes in parallel code, given its serial version. OMPify is based on a Transformer-based model that leverages a graph-based representation of source code that exploits the inherent structure of code. We evaluated our tool by predicting the parallelization pragmas and attributes of a large corpus of (over 54,000) snippets of serial code written in C and C++ languages (Open-OMP-Plus). Our results demonstrate that OMPify outperforms existing approaches, the general-purposed and popular ChatGPT and targeted PragFormer models, in terms of F1 score and accuracy. Specifically, OMPify achieves up to 90% accuracy on commonly-used OpenMP benchmark tests such as NAS, SPEC, and PolyBench. Additionally, we performed an ablation study to assess the impact of different model components and present interesting insights derived from the study. Lastly, we also explored the potential of using data augmentation and curriculum learning techniques to improve the model's robustness and generalization capabilities.

MPI-rical: Data-Driven MPI Distributed Parallelism Assistance with Transformers

Automatic source-to-source parallelization of serial code for shared and distributed memory systems is a challenging task in high-performance computing. While many attempts were made to translate serial code into parallel code for a shared memory environment (usually using OpenMP), none has managed to do so for a distributed memory environment. In this paper, we propose a novel approach, called MPI-rical, for automated MPI code generation using a transformer-based model trained on approximately 25,000 serial code snippets and their corresponding parallelized MPI code out of more than 50,000 code snippets in our corpus (MPICodeCorpus). To evaluate the performance of the model, we first break down the serial code to MPI-based parallel code translation problem into two sub-problems and develop two research objectives: code completion defined as given a location in the source code, predict the MPI function for that location, and code translation defined as predicting an MPI function as well as its location in the source code. We evaluate MPI-rical on MPICodeCorpus dataset and on real-world scientific code benchmarks and compare its performance between the code completion and translation tasks. Our experimental results show that while MPI-rical performs better on the code completion task than the code translation task, the latter is better suited for real-world programming assistance, in which the tool suggests the need for an MPI function regardless of prior knowledge. Overall, our approach represents a significant step forward in automating the parallelization of serial code for distributed memory systems, which can save valuable time and resources for software developers and researchers. The source code used in this work, as well as other relevant sources, are available at: https://github.com/Scientific-Computing-Lab-NRCN/MPI-rical

Determining HEDP Foams' Quality with Multi-View Deep Learning Classification

High energy density physics (HEDP) experiments commonly involve a dynamic wave-front propagating inside a low-density foam. This effect affects its density and hence, its transparency. A common problem in foam production is the creation of defective foams. Accurate information on their dimension and homogeneity is required to classify the foams' quality. Therefore, those parameters are being characterized using a 3D-measuring laser confocal microscope. For each foam, five images are taken: two 2D images representing the top and bottom surface foam planes and three images of side cross-sections from 3D scannings. An expert has to do the complicated, harsh, and exhausting work of manually classifying the foam's quality through the image set and only then determine whether the foam can be used in experiments or not. Currently, quality has two binary levels of normal vs. defective. At the same time, experts are commonly required to classify a sub-class of normal-defective, i.e., foams that are defective but might be sufficient for the needed experiment. This sub-class is problematic due to inconclusive judgment that is primarily intuitive. In this work, we present a novel state-of-the-art multi-view deep learning classification model that mimics the physicist's perspective by automatically determining the foams' quality classification and thus aids the expert. Our model achieved 86\% accuracy on upper and lower surface foam planes and 82\% on the entire set, suggesting interesting heuristics to the problem. A significant added value in this work is the ability to regress the foam quality instead of binary deduction and even explain the decision visually. The source code used in this work, as well as other relevant sources, are available at: https://github.com/Scientific-Computing-Lab-NRCN/Multi-View-Foams.git

Learning to Parallelize in a Shared-Memory Environment with Transformers

In past years, the world has switched to many-core and multi-core shared memory architectures. As a result, there is a growing need to utilize these architectures by introducing shared memory parallelization schemes to software applications. OpenMP is the most comprehensive API that implements such schemes, characterized by a readable interface. Nevertheless, introducing OpenMP into code is challenging due to pervasive pitfalls in management of parallel shared memory. To facilitate the performance of this task, many source-to-source (S2S) compilers have been created over the years, tasked with inserting OpenMP directives into code automatically. In addition to having limited robustness to their input format, these compilers still do not achieve satisfactory coverage and precision in locating parallelizable code and generating appropriate directives. In this work, we propose leveraging recent advances in ML techniques, specifically in natural language processing (NLP), to replace S2S compilers altogether. We create a database (corpus), Open-OMP, specifically for this goal. Open-OMP contains over 28,000 code snippets, half of which contain OpenMP directives while the other half do not need parallelization at all with high probability. We use the corpus to train systems to automatically classify code segments in need of parallelization, as well as suggest individual OpenMP clauses. We train several transformer models, named PragFormer, for these tasks, and show that they outperform statistically-trained baselines and automatic S2S parallelization compilers in both classifying the overall need for an OpenMP directive and the introduction of private and reduction clauses. Our source code and database are available at: https://github.com/Scientific-Computing-Lab-NRCN/PragFormer.

ChangeChip: A Reference-Based Unsupervised Change Detection for PCB Defect Detection

The usage of electronic devices increases, and becomes predominant in most aspects of life. Surface Mount Technology (SMT) is the most common industrial method for manufacturing electric devices in which electrical components are mounted directly onto the surface of a Printed Circuit Board (PCB). Although the expansion of electronic devices affects our lives in a productive way, failures or defects in the manufacturing procedure of those devices might also be counterproductive and even harmful in some cases. It is therefore desired and sometimes crucial to ensure zero-defect quality in electronic devices and their production. While traditional Image Processing (IP) techniques are not sufficient to produce a complete solution, other promising methods like Deep Learning (DL) might also be challenging for PCB inspection, mainly because such methods require big adequate datasets which are missing, not available or not updated in the rapidly growing field of PCBs. Thus, PCB inspection is conventionally performed manually by human experts. Unsupervised Learning (UL) methods may potentially be suitable for PCB inspection, having learning capabilities on the one hand, while not relying on large datasets on the other. In this paper, we introduce ChangeChip, an automated and integrated change detection system for defect detection in PCBs, from soldering defects to missing or misaligned electronic elements, based on Computer Vision (CV) and UL. We achieve good quality defect detection by applying an unsupervised change detection between images of a golden PCB (reference) and the inspected PCB under various setting. In this work, we also present CD-PCB, a synthesized labeled dataset of 20 pairs of PCB images for evaluation of defect detection algorithms.

An End-to-End Computer Vision Methodology for Quantitative Metallography

Metallography is crucial for a proper assessment of material's properties. It involves mainly the investigation of spatial distribution of grains and the occurrence and characteristics of inclusions or precipitates. This work presents an holistic artificial intelligence model for Anomaly Detection that automatically quantifies the degree of anomaly of impurities in alloys. We suggest the following examination process: (1) Deep semantic segmentation is performed on the inclusions (based on a suitable metallographic database of alloys and corresponding tags of inclusions), producing inclusions masks that are saved into a separated database. (2) Deep image inpainting is performed to fill the removed inclusions parts, resulting in 'clean' metallographic images, which contain the background of grains. (3) Grains' boundaries are marked using deep semantic segmentation (based on another metallographic database of alloys), producing boundaries that are ready for further inspection on the distribution of grains' size. (4) Deep anomaly detection and pattern recognition is performed on the inclusions masks to determine spatial, shape and area anomaly detection of the inclusions. Finally, the system recommends to an expert on areas of interests for further examination. The performance of the model is presented and analyzed based on few representative cases. Although the models presented here were developed for metallography analysis, most of them can be generalized to a wider set of problems in which anomaly detection of geometrical objects is desired. All models as well as the data-sets that were created for this work, are publicly available at https://github.com/Scientific-Computing-Lab-NRCN/MLography.

Complete CVDL Methodology for Investigating Hydrodynamic Instabilities

In fluid dynamics, one of the most important research fields is hydrodynamic instabilities and their evolution in different flow regimes. The investigation of said instabilities is concerned with the highly non-linear dynamics. Currently, three main methods are used for understanding of such phenomenon - namely analytical models, experiments and simulations - and all of them are primarily investigated and correlated using human expertise. In this work we claim and demonstrate that a major portion of this research effort could and should be analysed using recent breakthrough advancements in the field of Computer Vision with Deep Learning (CVDL, or Deep Computer-Vision). Specifically, we target and evaluate specific state-of-the-art techniques - such as Image Retrieval, Template Matching, Parameters Regression and Spatiotemporal Prediction - for the quantitative and qualitative benefits they provide. In order to do so we focus in this research on one of the most representative instabilities, the Rayleigh-Taylor one, simulate its behaviour and create an open-sourced state-of-the-art annotated database (RayleAI). Finally, we use adjusted experimental results and novel physical loss methodologies to validate the correspondence of the predicted results to actual physical reality to prove the models efficiency. The techniques which were developed and proved in this work can be served as essential tools for physicists in the field of hydrodynamics for investigating a variety of physical systems, and also could be used via Transfer Learning to other instabilities research. A part of the techniques can be easily applied on already exist simulation results. All models as well as the data-set that was created for this work, are publicly available at: https://github.com/scientific-computing-nrcn/SimulAI.