Maksim E. Eren

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.

Maksim E. Eren, Luke E. Richards, Manish Bhattarai et al.

Non-negative matrix factorization (NMF) with missing-value completion is a well-known effective Collaborative Filtering (CF) method used to provide personalized user recommendations. However, traditional CF relies on the privacy-invasive collection of users' explicit and implicit feedback to build a central recommender model. One-shot federated learning has recently emerged as a method to mitigate the privacy problem while addressing the traditional communication bottleneck of federated learning. In this paper, we present the first unsupervised one-shot federated CF implementation, named FedSPLIT, based on NMF joint factorization. In our solution, the clients first apply local CF in-parallel to build distinct client-specific recommenders. Then, the privacy-preserving local item patterns and biases from each client are shared with the processor to perform joint factorization in order to extract the global item patterns. Extracted patterns are then aggregated to each client to build the local models via knowledge distillation. In our experiments, we demonstrate the feasibility of our approach with standard recommendation datasets. FedSPLIT can obtain similar results than the state of the art (and even outperform it in certain situations) with a substantial decrease in the number of communications.

Selma Wanna, Ryan Barron, Nick Solovyev et al.

Topic modeling is a technique for organizing and extracting themes from large collections of unstructured text. Non-negative matrix factorization (NMF) is a common unsupervised approach that decomposes a term frequency-inverse document frequency (TF-IDF) matrix to uncover latent topics and segment the dataset accordingly. While useful for highlighting patterns and clustering documents, NMF does not provide explicit topic labels, necessitating subject matter experts (SMEs) to assign labels manually. We present a methodology for automating topic labeling in documents clustered via NMF with automatic model determination (NMFk). By leveraging the output of NMFk and employing prompt engineering, we utilize large language models (LLMs) to generate accurate topic labels. Our case study on over 34,000 scientific abstracts on Knowledge Graphs demonstrates the effectiveness of our method in enhancing knowledge management and document organization.

Nicholas Solovyev, Ryan Barron, Manish Bhattarai et al.

Highly specific datasets of scientific literature are important for both research and education. However, it is difficult to build such datasets at scale. A common approach is to build these datasets reductively by applying topic modeling on an established corpus and selecting specific topics. A more robust but time-consuming approach is to build the dataset constructively in which a subject matter expert (SME) handpicks documents. This method does not scale and is prone to error as the dataset grows. Here we showcase a new tool, based on machine learning, for constructively generating targeted datasets of scientific literature. Given a small initial "core" corpus of papers, we build a citation network of documents. At each step of the citation network, we generate text embeddings and visualize the embeddings through dimensionality reduction. Papers are kept in the dataset if they are "similar" to the core or are otherwise pruned through human-in-the-loop selection. Additional insight into the papers is gained through sub-topic modeling using SeNMFk. We demonstrate our new tool for literature review by applying it to two different fields in machine learning.

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.

Alexander Most, Maksim Eren, Nigel Lawrence et al.

Supervisory Control and Data Acquisition (SCADA) systems often serve as the nervous system for substations within power grids. These systems facilitate real-time monitoring, data acquisition, control of equipment, and ensure smooth and efficient operation of the substation and its connected devices. Previous work has shown that dimensionality reduction-based approaches, such as Principal Component Analysis (PCA), can be used for accurate identification of anomalies in SCADA systems. While not specifically applied to SCADA, non-negative matrix factorization (NMF) has shown strong results at detecting anomalies in wireless sensor networks. These unsupervised approaches model the normal or expected behavior and detect the unseen types of attacks or anomalies by identifying the events that deviate from the expected behavior. These approaches; however, do not model the complex and multi-dimensional interactions that are naturally present in SCADA systems. Differently, non-negative tensor decomposition is a powerful unsupervised machine learning (ML) method that can model the complex and multi-faceted activity details of SCADA events. In this work, we novelly apply the tensor decomposition method Canonical Polyadic Alternating Poisson Regression (CP-APR) with a probabilistic framework, which has previously shown state-of-the-art anomaly detection results on cyber network data, to identify anomalies in SCADA systems. We showcase that the use of statistical behavior analysis of SCADA communication with tensor decomposition improves the specificity and accuracy of identifying anomalies in electrical grid systems. In our experiments, we model real-world SCADA system data collected from the electrical grid operated by Los Alamos National Laboratory (LANL) which provides transmission and distribution service through a partnership with Los Alamos County, and detect synthetically generated anomalies.

Maksim Eren, Eric Michalak, Brian Cook et al.

Culture shapes reasoning, values, prioritization, and strategic decision-making, yet large language models (LLMs) often exhibit cultural biases that misalign with target populations. As LLMs are increasingly used for strategic decision-making, policy support, and document engineering tasks such as summarization, categorization, and compliance-oriented auditing, improving cultural alignment is important for ensuring that downstream analyses and recommendations reflect target-population value profiles rather than default model priors. Previous work introduced a survey-grounded cultural alignment framework and showed that culture-specific prompting can reduce misalignment, but it primarily evaluated proprietary models and relied on manual prompt engineering. In this paper, we validate and extend that framework by reproducing its social sciences survey based projection and distance metrics on open-weight LLMs, testing whether the same cultural skew and benefits of culture conditioning persist outside closed LLM systems. Building on this foundation, we introduce use of prompt programming with DSPy for this problem-treating prompts as modular, optimizable programs-to systematically tune cultural conditioning by optimizing against cultural-distance objectives. In our experiments, we show that prompt optimization often improves upon cultural prompt engineering, suggesting prompt compilation with DSPy can provide a more stable and transferable route to culturally aligned LLM responses.

Ryan C. Barron, Maksim E. Eren, Olga M. Serafimova et al.

Agentic Generative AI, powered by Large Language Models (LLMs) with Retrieval-Augmented Generation (RAG), Knowledge Graphs (KGs), and Vector Stores (VSs), represents a transformative technology applicable to specialized domains such as legal systems, research, recommender systems, cybersecurity, and global security, including proliferation research. This technology excels at inferring relationships within vast unstructured or semi-structured datasets. The legal domain here comprises complex data characterized by extensive, interrelated, and semi-structured knowledge systems with complex relations. It comprises constitutions, statutes, regulations, and case law. Extracting insights and navigating the intricate networks of legal documents and their relations is crucial for effective legal research. Here, we introduce a generative AI system that integrates RAG, VS, and KG, constructed via Non-Negative Matrix Factorization (NMF), to enhance legal information retrieval and AI reasoning and minimize hallucinations. In the legal system, these technologies empower AI agents to identify and analyze complex connections among cases, statutes, and legal precedents, uncovering hidden relationships and predicting legal trends-challenging tasks that are essential for ensuring justice and improving operational efficiency. Our system employs web scraping techniques to systematically collect legal texts, such as statutes, constitutional provisions, and case law, from publicly accessible platforms like Justia. It bridges the gap between traditional keyword-based searches and contextual understanding by leveraging advanced semantic representations, hierarchical relationships, and latent topic discovery. This framework supports legal document clustering, summarization, and cross-referencing, for scalable, interpretable, and accurate retrieval for semi-structured data while advancing computational law and AI.

Nicole Villavicencio-Garduño, Maksim Ekin Eren, Milo Prisbrey et al.

Artificial Intelligence (AI) is increasingly used to automate a variety of real-world computer vision (CV) applications, such as autonomous vehicle control, facial recognition, and security cameras. Recent research has shown that acoustic vibration can induce real physical motion in cameras, interfering with their internal stabilization mechanisms. Because the motion falls outside the conditions the stabilization system was designed to handle, the system introduces artifacts into the frame, causing AI-based CV models to misclassify, miss targets, or hallucinate objects. Previous work used ultrasonic frequencies (>20 kHz) to perform short-range attacks, which limits them to short distances due to the attenuation exhibited by high frequencies. In this work, we investigate acoustic attacks using lower frequencies in the audible range (<20 kHz), and we further expand our analysis to include how various image and object features are affected by the attacks. Specifically, we performed physical experiments to demonstrate the viability of our attacks on an off-the-shelf object detection model (YOLO11) by resonating a commercially available camera with various frequencies. Based on our results, we provide insights into several factors that make an AI CV system more vulnerable to these attacks, which could help inform the development of future mitigation strategies.

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.

Ryan Barron, Maksim E. Eren, Duc P. Truong et al.

Missing link prediction is a method for network analysis, with applications in recommender systems, biology, social sciences, cybersecurity, information retrieval, and Artificial Intelligence (AI) reasoning in Knowledge Graphs. Missing link prediction identifies unseen but potentially existing connections in a network by analyzing the observed patterns and relationships. In proliferation detection, this supports efforts to identify and characterize attempts by state and non-state actors to acquire nuclear weapons or associated technology - a notoriously challenging but vital mission for global security. Dimensionality reduction techniques like Non-Negative Matrix Factorization (NMF) and Logistic Matrix Factorization (LMF) are effective but require selection of the matrix rank parameter, that is, of the number of hidden features, k, to avoid over/under-fitting. We introduce novel Weighted (WNMFk), Boolean (BNMFk), and Recommender (RNMFk) matrix factorization methods, along with ensemble variants incorporating logistic factorization, for link prediction. Our methods integrate automatic model determination for rank estimation by evaluating stability and accuracy using a modified bootstrap methodology and uncertainty quantification (UQ), assessing prediction reliability under random perturbations. We incorporate Otsu threshold selection and k-means clustering for Boolean matrix factorization, comparing them to coordinate descent-based Boolean thresholding. Our experiments highlight the impact of rank k selection, evaluate model performance under varying test-set sizes, and demonstrate the benefits of UQ for reliable predictions using abstention. We validate our methods on three synthetic datasets (Boolean and uniformly distributed) and benchmark them against LMF and symmetric LMF (symLMF) on five real-world protein-protein interaction networks, showcasing an improved prediction performance.

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

Much of human knowledge in cybersecurity is encapsulated within the ever-growing volume of scientific papers. As this textual data continues to expand, the importance of document organization methods becomes increasingly crucial for extracting actionable insights hidden within large text datasets. Knowledge Graphs (KGs) serve as a means to store factual information in a structured manner, providing explicit, interpretable knowledge that includes domain-specific information from the cybersecurity scientific literature. One of the challenges in constructing a KG from scientific literature is the extraction of ontology from unstructured text. In this paper, we address this topic and introduce a method for building a multi-modal KG by extracting structured ontology from scientific papers. We demonstrate this concept in the cybersecurity domain. One modality of the KG represents observable information from the papers, such as the categories in which they were published or the authors. The second modality uncovers latent (hidden) patterns of text extracted through hierarchical and semantic non-negative matrix factorization (NMF), such as named entities, topics or clusters, and keywords. We illustrate this concept by consolidating more than two million scientific papers uploaded to arXiv into the cyber-domain, using hierarchical and semantic NMF, and by building a cyber-domain-specific KG.

Maksim E. Eren, Dorianis M. Perez

Artificial intelligence (AI) is reshaping how research is conceived, conducted, and communicated across fields from chemistry to biomedicine. This commentary examines how AI is transforming the research workflow. AI systems now help researchers manage the information deluge, filtering the literature, surfacing cross-disciplinary links for ideas and collaborations, generating hypotheses, and designing and executing experiments. These developments mark a shift from AI as a mere computational tool to AI as an active collaborator in science. Yet this transformation demands thoughtful integration and governance. We argue that at this time AI must augment but not replace human judgment in academic workflows such as peer review, ethical evaluation, and validation of results. This paper calls for the deliberate adoption of AI within the scientific practice through policies that promote transparency, reproducibility, and accountability.

Ryan C. Barron, Maksim E. Eren, Valentin Stanev et al.

Link prediction infers missing or future relations between graph nodes, based on connection patterns. Scientific literature networks and knowledge graphs are typically large, sparse, and noisy, and often contain missing links between entities. We present an AI-driven hierarchical link prediction framework that integrates matrix factorization to infer hidden associations and steer discovery in complex material domains. Our method combines Hierarchical Nonnegative Matrix Factorization (HNMFk) and Boolean matrix factorization (BNMFk) with automatic model selection, as well as Logistic matrix factorization (LMF), we use to construct a three-level topic tree from a 46,862-document corpus focused on 73 transition-metal dichalcogenides (TMDs). These materials are studied in a variety of physics fields with many current and potential applications. An ensemble BNMFk + LMF approach fuses discrete interpretability with probabilistic scoring. The resulting HNMFk clusters map each material onto coherent topics like superconductivity, energy storage, and tribology. Also, missing or weakly connected links are highlight between topics and materials, suggesting novel hypotheses for cross-disciplinary exploration. We validate our method by removing publications about superconductivity in well-known superconductors, and show the model predicts associations with the superconducting TMD clusters. This shows the method finds hidden connections in a graph of material to latent topic associations built from scientific literature, especially useful when examining a diverse corpus of scientific documents covering the same class of phenomena or materials but originating from distinct communities and perspectives. The inferred links generating new hypotheses, produced by our method, are exposed through an interactive Streamlit dashboard, designed for human-in-the-loop scientific discovery.

Maksim E. Eren, Manish Bhattarai, Kim Rasmussen et al.

Malware is one of the most dangerous and costly cyber threats to national security and a crucial factor in modern cyber-space. However, the adoption of machine learning (ML) based solutions against malware threats has been relatively slow. Shortcomings in the existing ML approaches are likely contributing to this problem. The majority of current ML approaches ignore real-world challenges such as the detection of novel malware. In addition, proposed ML approaches are often designed either for malware/benign-ware classification or malware family classification. Here we introduce and showcase preliminary capabilities of a new method that can perform precise identification of novel malware families, while also unifying the capability for malware/benign-ware classification and malware family classification into a single framework.

Ran Liu, Maksim Eren, Charles Nicholas

With the increasing number and sophistication of malware attacks, malware detection systems based on machine learning (ML) grow in importance. At the same time, many popular ML models used in malware classification are supervised solutions. These supervised classifiers often do not generalize well to novel malware. Therefore, they need to be re-trained frequently to detect new malware specimens, which can be time-consuming. Our work addresses this problem in a hybrid framework of theoretical Quantum ML, combined with feature selection strategies to reduce the data size and malware classifier training time. The preliminary results show that VQC with XGBoost selected features can get a 78.91% test accuracy on the simulator. The average accuracy for the model trained using the features selected with XGBoost was 74% (+- 11.35%) on the IBM 5 qubits machines.

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.

Maksim E. Eren, Nick Solovyev, Chris Hamer et al.

The unprecedented outbreak of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2), or COVID-19, continues to be a significant worldwide problem. As a result, a surge of new COVID-19 related research has followed suit. The growing number of publications requires document organization methods to identify relevant information. In this paper, we expand upon our previous work with clustering the CORD-19 dataset by applying multi-dimensional analysis methods. Tensor factorization is a powerful unsupervised learning method capable of discovering hidden patterns in a document corpus. We show that a higher-order representation of the corpus allows for the simultaneous grouping of similar articles, relevant journals, authors with similar research interests, and topic keywords. These groupings are identified within and among the latent components extracted via tensor decomposition. We further demonstrate the application of this method with a publicly available interactive visualization of the dataset.

John Boutsikas, Maksim E. Eren, Charles Varga et al.

The use of Machine Learning has become a significant part of malware detection efforts due to the influx of new malware, an ever changing threat landscape, and the ability of Machine Learning methods to discover meaningful distinctions between malicious and benign software. Antivirus vendors have also begun to widely utilize malware classifiers based on dynamic and static malware analysis features. Therefore, a malware author might make evasive binary modifications against Machine Learning models as part of the malware development life cycle to execute an attack successfully. This makes the studying of possible classifier evasion strategies an essential part of cyber defense against malice. To this extent, we stage a grey box setup to analyze a scenario where the malware author does not know the target classifier algorithm, and does not have access to decisions made by the classifier, but knows the features used in training. In this experiment, a malicious actor trains a surrogate model using the EMBER-2018 dataset to discover binary mutations that cause an instance to be misclassified via a Monte Carlo tree search. Then, mutated malware is sent to the victim model that takes the place of an antivirus API to test whether it can evade detection.