Ismael Boureima

Afia Anjum, Maksim E. Eren, Ismael Boureima et al.

In recent years, Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of natural language processing (NLP) tasks, such as question-answering, sentiment analysis, text summarization, and machine translation. However, the ever-growing complexity of LLMs demands immense computational resources, hindering the broader research and application of these models. To address this, various parameter-efficient fine-tuning strategies, such as Low-Rank Approximation (LoRA) and Adapters, have been developed. Despite their potential, these methods often face limitations in compressibility. Specifically, LoRA struggles to scale effectively with the increasing number of trainable parameters in modern large scale LLMs. Additionally, Low-Rank Economic Tensor-Train Adaptation (LoRETTA), which utilizes tensor train decomposition, has not yet achieved the level of compression necessary for fine-tuning very large scale models with limited resources. This paper introduces Tensor Train Low-Rank Approximation (TT-LoRA), a novel parameter-efficient fine-tuning (PEFT) approach that extends LoRETTA with optimized tensor train (TT) decomposition integration. By eliminating Adapters and traditional LoRA-based structures, TT-LoRA achieves greater model compression without compromising downstream task performance, along with reduced inference latency and computational overhead. We conduct an exhaustive parameter search to establish benchmarks that highlight the trade-off between model compression and performance. Our results demonstrate significant compression of LLMs while maintaining comparable performance to larger models, facilitating their deployment on resource-constraint platforms.

Ryan Barron, Maksim E. Eren, Manish Bhattarai et al.

In several Machine Learning (ML) clustering and dimensionality reduction approaches, such as non-negative matrix factorization (NMF), RESCAL, and K-Means clustering, users must select a hyper-parameter k to define the number of clusters or components that yield an ideal separation of samples or clean clusters. This selection, while difficult, is crucial to avoid overfitting or underfitting the data. Several ML applications use scoring methods (e.g., Silhouette and Davies Boulding scores) to evaluate the cluster pattern stability for a specific k. The score is calculated for different trials over a range of k, and the ideal k is heuristically selected as the value before the model starts overfitting, indicated by a drop or increase in the score resembling an elbow curve plot. While the grid-search method can be used to accurately find a good k value, visiting a range of k can become time-consuming and computationally resource-intensive. In this paper, we introduce the Binary Bleed method based on binary search, which significantly reduces the k search space for these grid-search ML algorithms by truncating the target k values from the search space using a heuristic with thresholding over the scores. Binary Bleed is designed to work with single-node serial, single-node multi-processing, and distributed computing resources. In our experiments, we demonstrate the reduced search space gain over a naive sequential search of the ideal k and the accuracy of the Binary Bleed in identifying the correct k for NMFk, K-Means pyDNMFk, and pyDRESCALk with Silhouette and Davies Boulding scores. We make our implementation of Binary Bleed for the NMF algorithm available on GitHub.

Manish Bhattarai, Ismael Boureima, Nishath Rajiv Ranasinghe et al.

We argue that decomposing reward into weighted, verifiable criteria and using an LLM judge to score them provides a partial-credit optimization signal: instead of a binary outcome or a single holistic score, each response is graded along multiple task-specific criteria. We formalize \emph{rubric-grounded reinforcement learning (RL)}: a framework in which the policy is optimized against a structured, multi-criterion reward produced by a frozen LLM judge that conditions on auxiliary grounding the policy never sees. We instantiate the framework by deriving rubrics from an Office of Scientific and Technical Information (OSTI)-derived corpus of roughly 100,000 scientific and technical documents and training Llama-3.1-8B-Instruct with Group Relative Policy Optimization (GRPO). With GRPO-based training, the model achieves $71.7\%$ normalized reward on held-out rubric evaluation. The GRPO-tuned policy also improves over the base model on four reasoning benchmarks not derived from the training corpus -- GSM8K, MATH, GPQA Main, and GPQA Diamond. These results provide evidence that structured, document-grounded rewards can improve held-out rubric performance and induce transferable reasoning behaviors beyond the corpus used to construct the training environment.

Manish Bhattarai, Ryan Barron, Maksim Eren et al.

Retrieval-Augmented Generation (RAG) enhances Large Language Models (LLMs) by integrating external document retrieval to provide domain-specific or up-to-date knowledge. The effectiveness of RAG depends on the relevance of retrieved documents, which is influenced by the semantic alignment of embeddings with the domain's specialized content. Although full fine-tuning can align language models to specific domains, it is computationally intensive and demands substantial data. This paper introduces Hierarchical Embedding Alignment Loss (HEAL), a novel method that leverages hierarchical fuzzy clustering with matrix factorization within contrastive learning to efficiently align LLM embeddings with domain-specific content. HEAL computes level/depth-wise contrastive losses and incorporates hierarchical penalties to align embeddings with the underlying relationships in label hierarchies. This approach enhances retrieval relevance and document classification, effectively reducing hallucinations in LLM outputs. In our experiments, we benchmark and evaluate HEAL across diverse domains, including Healthcare, Material Science, Cyber-security, and Applied Maths.

Manish Bhattarai, Minh Vu, Javier E. Santos et al.

We introduce a novel method to enhance cross-language code translation from Fortran to C++ by integrating task-specific embedding alignment into a Retrieval-Augmented Generation (RAG) framework. Unlike conventional retrieval approaches that utilize generic embeddings agnostic to the downstream task, our strategy aligns the retrieval model directly with the objective of maximizing translation quality, as quantified by the CodeBLEU metric. This alignment ensures that the embeddings are semantically and syntactically meaningful for the specific code translation task. Our methodology involves constructing a dataset of 25,000 Fortran code snippets sourced from Stack-V2 dataset and generating their corresponding C++ translations using the LLaMA 3.1-8B language model. We compute pairwise CodeBLEU scores between the generated translations and ground truth examples to capture fine-grained similarities. These scores serve as supervision signals in a contrastive learning framework, where we optimize the embedding model to retrieve Fortran-C++ pairs that are most beneficial for improving the language model's translation performance. By integrating these CodeBLEU-optimized embeddings into the RAG framework, our approach significantly enhances both retrieval accuracy and code generation quality over methods employing generic embeddings. On the HPC Fortran2C++ dataset, our method elevates the average CodeBLEU score from 0.64 to 0.73, achieving a 14% relative improvement. On the Numerical Recipes dataset, we observe an increase from 0.52 to 0.60, marking a 15% relative improvement. Importantly, these gains are realized without any fine-tuning of the language model, underscoring the efficiency and practicality of our approach.

Manish Bhattarai, Miguel Cordova, Minh Vu et al.

We present Agentic Retrieval-Augmented Code Synthesis (ARCS), a system that improves LLM-based code generation without fine-tuning. ARCS operates through a budgeted synthesize-execute-repair loop over a frozen model: it retrieves relevant code context before generation, proposes candidates, executes them against tests, and repairs based on execution feedback. This retrieval-before-generation design reduces hallucination and accelerates convergence. We formalize ARCS as a state-action process with provable guarantees on termination, monotonic improvement, and bounded cost. A tiered controller (Small/Medium/Large) trades latency for accuracy predictably. On HumanEval, ARCS achieves up to 87.2% pass@1 with Llama-3.1-405B, surpassing CodeAgent (82.3%) while using simpler control than tree-search methods. On TransCoder, it achieves >= 90% accuracy on most translation pairs. On a LANL scientific corpus, it improves CodeBLEU by +0.115 over baseline RAG. ARCS provides a practical, reproducible approach to reliable code synthesis using existing LLM checkpoints.

Ismael Boureima, Manish Bhattarai, Maksim Eren et al.

We propose an efficient distributed out-of-memory implementation of the Non-negative Matrix Factorization (NMF) algorithm for heterogeneous high-performance-computing (HPC) systems. The proposed implementation is based on prior work on NMFk, which can perform automatic model selection and extract latent variables and patterns from data. In this work, we extend NMFk by adding support for dense and sparse matrix operation on multi-node, multi-GPU systems. The resulting algorithm is optimized for out-of-memory (OOM) problems where the memory required to factorize a given matrix is greater than the available GPU memory. Memory complexity is reduced by batching/tiling strategies, and sparse and dense matrix operations are significantly accelerated with GPU cores (or tensor cores when available). Input/Output (I/O) latency associated with batch copies between host and device is hidden using CUDA streams to overlap data transfers and compute asynchronously, and latency associated with collective communications (both intra-node and inter-node) is reduced using optimized NVIDIA Collective Communication Library NCCL based communicators. Benchmark results show significant improvement, from 32X to 76x speedup, with the new implementation using GPUs over the CPU-based NMFk. Good weak scaling was demonstrated on up to 4096 multi-GPU cluster nodes with approximately 25,000 GPUs when decomposing a dense 340 Terabyte-size matrix and an 11 Exabyte-size sparse matrix of density 10e-6.