Dawon Ahn

Nícolas Roque dos Santos, Dawon Ahn, Diego Minatel et al.

Graph Neural Networks (GNNs) have demonstrated remarkable results in various real-world applications, including drug discovery, object detection, social media analysis, recommender systems, and text classification. In contrast to their vast potential, training them on large-scale graphs presents significant computational challenges due to the resources required for their storage and processing. Graph Condensation has emerged as a promising solution to reduce these demands by learning a synthetic compact graph that preserves the essential information of the original one while maintaining the GNN's predictive performance. Despite their efficacy, current graph condensation approaches frequently rely on a computationally intensive bi-level optimization. Moreover, they fail to maintain a mapping between synthetic and original nodes, limiting the interpretability of the model's decisions. In this sense, a wide range of decomposition techniques have been applied to learn linear or multi-linear functions from graph data, offering a more transparent and less resource-intensive alternative. However, their applicability to graph condensation remains unexplored. This paper addresses this gap and proposes a novel method called Multi-view Graph Condensation via Tensor Decomposition (GCTD) to investigate to what extent such techniques can synthesize an informative smaller graph and achieve comparable downstream task performance. Extensive experiments on six real-world datasets demonstrate that GCTD effectively reduces graph size while preserving GNN performance, achieving up to a 4.0\ improvement in accuracy on three out of six datasets and competitive performance on large graphs compared to existing approaches. Our code is available at https://anonymous.4open.science/r/gctd-345A.

Paimon Goulart, Jordan Steinhauser, Dawon Ahn et al.

Scientific discovery pipelines typically involve complex, rigid, and time-consuming processes, from data preparation to analyzing and interpreting findings. Recent advances in AI have the potential to transform such pipelines in a way that domain experts can focus on interpreting and understanding findings, rather than debugging rigid pipelines or manually annotating data. As part of an active collaboration between data science/AI researchers and behavioral neuroscientists, we showcase an example AI-enhanced pipeline, specifically designed to transform and accelerate the way that the domain experts in the team are able to gain insights out of experimental data. The application at hand is in the domain of behavioral neuroscience, studying fear generalization in mice, an important problem whose progress can advance our understanding of clinically significant and often debilitating conditions such as PTSD (Post-Traumatic Stress Disorder). We identify the emerging paradigm of "In-Context Learning" (ICL) as a suitable interface for domain experts to automate parts of their pipeline without the need for or familiarity with AI model training and fine-tuning, and showcase its remarkable efficacy in data preparation and pattern interpretation. Also, we introduce novel AI-enhancements to tensor decomposition model, which allows for more seamless pattern discovery from the heterogeneous data in our application. We thoroughly evaluate our proposed pipeline experimentally, showcasing its superior performance compared to what is standard practice in the domain, as well as against reasonable ML baselines that do not fall under the ICL paradigm, to ensure that we are not compromising performance in our quest for a seamless and easy-to-use interface for domain experts. Finally, we demonstrate effective discovery, with results validated by the domain experts in the team.

Shaan Pakala, Dawon Ahn, Evangelos Papalexakis

When designing materials to optimize certain properties, there are often many possible configurations of designs that need to be explored. For example, the materials' composition of elements will affect properties such as strength or conductivity, which are necessary to know when developing new materials. Exploring all combinations of elements to find optimal materials becomes very time consuming, especially when there are more design variables. For this reason, there is growing interest in using machine learning (ML) to predict a material's properties. In this work, we model the optimization of certain material properties as a tensor completion problem, to leverage the structure of our datasets and navigate the vast number of combinations of material configurations. Across a variety of material property prediction tasks, our experiments show tensor completion methods achieving 10-20% decreased error compared with baseline ML models such as GradientBoosting and Multilayer Perceptron (MLP), while maintaining similar training speed.

Dawon Ahn, Evangelos E. Papalexakis

How can we accurately complete tensors by learning relationships of dimensions along each mode? Tensor completion, a widely studied problem, is to predict missing entries in incomplete tensors. Tensor decomposition methods, fundamental tensor analysis tools, have been actively developed to solve tensor completion tasks. However, standard tensor decomposition models have not been designed to learn relationships of dimensions along each mode, which limits to accurate tensor completion. Also, previously developed tensor decomposition models have required prior knowledge between relations within dimensions to model the relations, expensive to obtain. This paper proposes TGL (Tensor Decomposition Learning Global and Local Structures) to accurately predict missing entries in tensors. TGL reconstructs a tensor with factor matrices which learn local structures with GNN without prior knowledges. Extensive experiments are conducted to evaluate TGL with baselines and datasets.

Yiran Luo, Het Patel, Yu Fu et al.

Recent research has shown that pruning large-scale language models for inference is an effective approach to improving model efficiency, significantly reducing model weights with minimal impact on performance. Interestingly, pruning can sometimes even enhance accuracy by removing noise that accumulates during training, particularly through matrix decompositions. However, recent work has primarily focused on single matrix decompositions or lower precision techniques, which may fail to fully capture structural patterns. To address these limitations, we introduce TRAWL (Tensor Reduced and Approximated Weights for Large Language Models), a technique that applies tensor decomposition across multiple weight matrices to effectively denoise LLMs by capturing global structural patterns. Our experiments show that TRAWL improves model performance by up to 16% over baseline models on benchmark datasets, without requiring additional data, training, or fine-tuning.

Dawon Ahn, Jun-Gi Jang, U Kang

Given a time-evolving tensor with missing entries, how can we effectively factorize it for precisely predicting the missing entries? Tensor factorization has been extensively utilized for analyzing various multi-dimensional real-world data. However, existing models for tensor factorization have disregarded the temporal property for tensor factorization while most real-world data are closely related to time. Moreover, they do not address accuracy degradation due to the sparsity of time slices. The essential problems of how to exploit the temporal property for tensor decomposition and consider the sparsity of time slices remain unresolved. In this paper, we propose TATD (Time-Aware Tensor Decomposition), a novel tensor decomposition method for real-world temporal tensors. TATD is designed to exploit temporal dependency and time-varying sparsity of real-world temporal tensors. We propose a new smoothing regularization with Gaussian kernel for modeling time dependency. Moreover, we improve the performance of TATD by considering time-varying sparsity. We design an alternating optimization scheme suitable for temporal tensor factorization with our smoothing regularization. Extensive experiments show that TATD provides the state-of-the-art accuracy for decomposing temporal tensors.