arXiv subjects

Tyler Derr

Publications and source records attributed to Tyler Derr.

At least 37 records · Page 2Linked to original sources

arXiv2026

Graph2Video: Leveraging Video Models to Model Dynamic Graph Evolution

Dynamic graphs are common in real-world systems such as social media, recommender systems, and traffic networks. Existing dynamic graph models for link prediction often fall short in capturing the complexity of temporal evolution. They tend to overlook fine-grained variations in temporal interaction order, struggle with dependencies that span long time horizons, and offer limited capability to model pair-specific relational dynamics. To address these challenges, we propose \textbf{Graph2Video}, a video-inspired framework that views the temporal neighborhood of a target link as a sequence of "graph frames". By stacking temporally ordered subgraph frames into a "graph video", Graph2Video leverages the inductive biases of video foundation models to capture both fine-grained local variations and long-range temporal dynamics. It generates a link-level embedding that serves as a lightweight and plug-and-play link-centric memory unit. This embedding integrates seamlessly into existing dynamic graph encoders, effectively addressing the limitations of prior approaches. Extensive experiments on benchmark datasets show that Graph2Video outperforms state-of-the-art baselines on the link prediction task in most cases. The results highlight the potential of borrowing spatio-temporal modeling techniques from computer vision as a promising and effective approach for advancing dynamic graph learning.

cs.CV↗

arXiv2026

SaVe-TAG: LLM-based Interpolation for Long-Tailed Text-Attributed Graphs

Real-world graph data often follows long-tailed distributions, making it difficult for Graph Neural Networks (GNNs) to generalize well across both head and tail classes. Recent advances in Vicinal Risk Minimization (VRM) have shown promise in mitigating class imbalance with numeric interpolation; however, existing approaches largely rely on embedding-space arithmetic, which fails to capture the rich semantics inherent in text-attributed graphs. In this work, we propose our method, SaVe-TAG (Semantic-aware Vicinal Risk Minimization for Long-Tailed Text-Attributed Graphs), a novel VRM framework that leverages Large Language Models (LLMs) to perform text-level interpolation, generating on-manifold, boundary-enriching synthetic samples for minority classes. To mitigate the risk of noisy generation, we introduce a confidence-based edge assignment mechanism that uses graph topology as a natural filter to ensure structural consistency. We provide theoretical justification for our method and conduct extensive experiments on benchmark datasets, showing that our approach consistently outperforms both numeric interpolation and prior long-tailed node classification baselines. Our results highlight the importance of integrating semantic and structural signals for balanced and effective learning on text-attributed graphs. The source code is publicly available at: https://github.com/LWang-Laura/SaVe-TAG.

cs.AI↗

arXiv2026

Scaffold-Aware Generative Augmentation and Reranking for Enhanced Virtual Screening

Ligand-based virtual screening (VS) is an essential step in drug discovery that evaluates large chemical libraries to identify compounds that potentially bind to a therapeutic target. However, VS faces three major challenges: class imbalance due to the low active rate, structural imbalance among active molecules where certain scaffolds dominate, and the need to identify structurally diverse active compounds for novel drug development. We introduce ScaffAug, a scaffold-aware VS framework that addresses these challenges through three modules. The augmentation module first generates synthetic data conditioned on scaffolds of actual hits using generative models, specifically a graph diffusion model. This helps mitigate the class imbalance and furthermore the structural imbalance, due to our proposed scaffold-aware sampling algorithm, designed to produce more samples for active molecules with underrepresented scaffolds. A model-agnostic self-training module is then used to safely integrate the generated synthetic data from our augmentation module with the original labeled data. Lastly, we introduce a reranking module that improves VS by enhancing scaffold diversity in the top recommended set of molecules, while still maintaining and even enhancing the overall general performance of identifying novel, active compounds. We conduct comprehensive computational experiments across five target classes, comparing ScaffAug against existing baseline methods by reporting the performance of multiple evaluation metrics and performing ablation studies on ScaffAug. Overall, this work introduces novel perspectives on effectively enhancing VS by leveraging generative augmentations, reranking, and general scaffold-awareness.

cs.LG↗

arXiv2025

Ensemble Privacy Defense for Knowledge-Intensive LLMs against Membership Inference Attacks

Retrieval-Augmented Generation (RAG) and Supervised Finetuning (SFT) have become the predominant paradigms for equipping Large Language Models (LLMs) with external knowledge for diverse, knowledge-intensive tasks. However, while such knowledge injection improves performance, it also exposes new attack surfaces. Membership Inference Attacks (MIAs), which aim to determine whether a given data sample was included in a model's training set, pose serious threats to privacy and trust in sensitive domains. To this end, we first systematically evaluate the vulnerability of RAG- and SFT-based LLMs to various MIAs. Then, to address the privacy risk, we further introduce a novel, model-agnostic defense framework, Ensemble Privacy Defense (EPD), which aggregates and evaluates the outputs of a knowledge-injected LLM, a base LLM, and a dedicated judge model to enhance resistance against MIAs. Comprehensive experiments show that, on average, EPD reduces MIA success by up to 27.8\% for SFT and 526.3\% for RAG compared to inference-time baseline, while maintaining answer quality.

cs.CR↗

arXiv2025

A Survey of Graph Unlearning

Graph unlearning emerges as a crucial advancement in the pursuit of responsible AI, providing the means to remove sensitive data traces from trained models, thereby upholding the \textit{right to be forgotten}. It is evident that graph machine learning exhibits sensitivity to data privacy and adversarial attacks, necessitating the application of graph unlearning techniques to address these concerns effectively. In this comprehensive survey paper, we present the first systematic review of graph unlearning approaches, encompassing a diverse array of methodologies and offering a detailed taxonomy and up-to-date literature overview to facilitate the understanding of researchers new to this field. To ensure clarity, we provide lucid explanations of the fundamental concepts and evaluation measures used in graph unlearning, catering to a broader audience with varying levels of expertise. Delving into potential applications, we explore the versatility of graph unlearning across various domains, including but not limited to social networks, adversarial settings, recommender systems, and resource-constrained environments like the Internet of Things, illustrating its potential impact in safeguarding data privacy and enhancing AI systems' robustness. Finally, we shed light on promising research directions, encouraging further progress and innovation within the domain of graph unlearning. By laying a solid foundation and fostering continued progress, this survey seeks to inspire researchers to further advance the field of graph unlearning, thereby instilling confidence in the ethical growth of AI systems and reinforcing the responsible application of machine learning techniques in various domains.

cs.LG↗

arXiv2025

Defining and Benchmarking a Data-Centric Design Space for Brain Graph Construction

The construction of brain graphs from functional Magnetic Resonance Imaging (fMRI) data plays a crucial role in enabling graph machine learning for neuroimaging. However, current practices often rely on rigid pipelines that overlook critical data-centric choices in how brain graphs are constructed. In this work, we adopt a Data-Centric AI perspective and systematically define and benchmark a data-centric design space for brain graph construction, constrasting with primarily model-centric prior work. We organize this design space into three stages: temporal signal processing, topology extraction, and graph featurization. Our contributions lie less in novel components and more in evaluating how combinations of existing and modified techniques influence downstream performance. Specifically, we study high-amplitude BOLD signal filtering, sparsification and unification strategies for connectivity, alternative correlation metrics, and multi-view node and edge features, such as incorporating lagged dynamics. Experiments on the HCP1200 and ABIDE datasets show that thoughtful data-centric configurations consistently improve classification accuracy over standard pipelines. These findings highlight the critical role of upstream data decisions and underscore the importance of systematically exploring the data-centric design space for graph-based neuroimaging. Our code is available at https://github.com/GeQinwen/DataCentricBrainGraphs.

cs.LG↗

arXiv2025

Towards Bridging Review Sparsity in Recommendation with Textual Edge Graph Representation

Textual reviews enrich recommender systems with fine-grained preference signals and enhanced explainability. However, in real-world scenarios, users rarely leave reviews, resulting in severe sparsity that undermines the effectiveness of existing models. A natural solution is to impute or generate missing reviews to enrich the data. However, conventional imputation techniques -- such as matrix completion and LLM-based augmentation -- either lose contextualized semantics by embedding texts into vectors, or overlook structural dependencies among user-item interactions. To address these shortcomings, we propose TWISTER (ToWards Imputation on Sparsity with Textual Edge Graph Representation), a unified framework that imputes missing reviews by jointly modeling semantic and structural signals. Specifically, we represent user-item interactions as a Textual-Edge Graph (TEG), treating reviews as edge attributes. To capture relational context, we construct line-graph views and employ a large language model as a graph-aware aggregator. For each interaction lacking a textual review, our model aggregates the neighborhood's natural-language representations to generate a coherent and personalized review. Experiments on the Amazon and Goodreads datasets show that TWISTER consistently outperforms traditional numeric, graph-based, and LLM baselines, delivering higher-quality imputed reviews and, more importantly, enhanced recommendation performance. In summary, TWISTER generates reviews that are more helpful, authentic, and specific, while smoothing structural signals for improved recommendations.

cs.IR↗

arXiv2025

Personalization of Large Language Models: A Survey

Personalization of Large Language Models (LLMs) has recently become increasingly important with a wide range of applications. Despite the importance and recent progress, most existing works on personalized LLMs have focused either entirely on (a) personalized text generation or (b) leveraging LLMs for personalization-related downstream applications, such as recommendation systems. In this work, we bridge the gap between these two separate main directions for the first time by introducing a taxonomy for personalized LLM usage and summarizing the key differences and challenges. We provide a formalization of the foundations of personalized LLMs that consolidates and expands notions of personalization of LLMs, defining and discussing novel facets of personalization, usage, and desiderata of personalized LLMs. We then unify the literature across these diverse fields and usage scenarios by proposing systematic taxonomies for the granularity of personalization, personalization techniques, datasets, evaluation methods, and applications of personalized LLMs. Finally, we highlight challenges and important open problems that remain to be addressed. By unifying and surveying recent research using the proposed taxonomies, we aim to provide a clear guide to the existing literature and different facets of personalization in LLMs, empowering both researchers and practitioners.

cs.CL↗

arXiv2025

BTS: A Comprehensive Benchmark for Tie Strength Prediction

The rapid rise of online social networks underscores the need to understand the heterogeneous strengths of online relationships. Yet, efforts to assess tie strength (TS) are hindered by the lack of ground-truth labels, differing research perspectives, and limited model performance in real-world settings. To address this gap, we introduce BTS, a comprehensive Benchmark for Tie Strength prediction, aiming to establish a standardized foundation for evaluating and advancing TS prediction methodologies. Specifically, our contributions are: TS Pseudo-Label Techniques -- we categorize TS into seven standardized pseudo-labeling techniques based on prior literature; TS Dataset Collection -- we present a representative collection of three social networks and perform data analysis by investigating the class distributions and correlations across the generated pseudo-labels; TS Pseudo-Label Evaluation Framework -- we propose a standardized framework to evaluate the pseudo-label quality from the perspective of tie resilience; Benchmarking -- we evaluate existing tie strength prediction model performance using the BTS dataset collection, exploring the effects of different experiment settings, models, and evaluation criteria on the results. Furthermore, we derive key insights to enhance existing methods and shed light on promising directions for future research in this domain. The BTS dataset collection, along with the curation codes and experimental scripts, is all available at: https://github.com/XueqiC/Awesome-Tie-Strength-Prediction.

cs.SI↗

arXiv2025

SimAug: Enhancing Recommendation with Pretrained Language Models for Dense and Balanced Data Augmentation

Deep Neural Networks (DNNs) are extensively used in collaborative filtering due to their impressive effectiveness. These systems depend on interaction data to learn user and item embeddings that are crucial for recommendations. However, the data often suffers from sparsity and imbalance issues: limited observations of user-item interactions can result in sub-optimal performance, and a predominance of interactions with popular items may introduce recommendation bias. To address these challenges, we employ Pretrained Language Models (PLMs) to enhance the interaction data with textual information, leading to a denser and more balanced dataset. Specifically, we propose a simple yet effective data augmentation method (SimAug) based on the textual similarity from PLMs, which can be seamlessly integrated to any systems as a lightweight, plug-and-play component in the pre-processing stage. Our experiments across nine datasets consistently demonstrate improvements in both utility and fairness when training with the augmented data generated by SimAug. The code is available at https://github.com/YuyingZhao/SimAug.

cs.IR↗

arXiv2025

Amplifying Your Social Media Presence: Personalized Influential Content Generation with LLMs

The remarkable advancements in Large Language Models (LLMs) have revolutionized the content generation process in social media, offering significant convenience in writing tasks. However, existing applications, such as sentence completion and fluency enhancement, do not fully address the complex challenges in real-world social media contexts. A prevalent goal among social media users is to increase the visibility and influence of their posts. This paper, therefore, delves into the compelling question: Can LLMs generate personalized influential content to amplify a user's presence on social media? We begin by examining prevalent techniques in content generation to assess their impact on post influence. Acknowledging the critical impact of underlying network structures in social media, which are instrumental in initiating content cascades and highly related to the influence/popularity of a post, we then inject network information into prompt for content generation to boost the post's influence. We design multiple content-centric and structure-aware prompts. The empirical experiments across LLMs validate their ability in improving the influence and draw insights on which strategies are more effective. Our code is available at https://github.com/YuyingZhao/LLM-influence-amplifier.

cs.SI↗

arXiv2025

Towards Trustworthy Retrieval Augmented Generation for Large Language Models: A Survey

Retrieval-Augmented Generation (RAG) is an advanced technique designed to address the challenges of Artificial Intelligence-Generated Content (AIGC). By integrating context retrieval into content generation, RAG provides reliable and up-to-date external knowledge, reduces hallucinations, and ensures relevant context across a wide range of tasks. However, despite RAG's success and potential, recent studies have shown that the RAG paradigm also introduces new risks, including robustness issues, privacy concerns, adversarial attacks, and accountability issues. Addressing these risks is critical for future applications of RAG systems, as they directly impact their trustworthiness. Although various methods have been developed to improve the trustworthiness of RAG methods, there is a lack of a unified perspective and framework for research in this topic. Thus, in this paper, we aim to address this gap by providing a comprehensive roadmap for developing trustworthy RAG systems. We place our discussion around five key perspectives: reliability, privacy, safety, fairness, explainability, and accountability. For each perspective, we present a general framework and taxonomy, offering a structured approach to understanding the current challenges, evaluating existing solutions, and identifying promising future research directions. To encourage broader adoption and innovation, we also highlight the downstream applications where trustworthy RAG systems have a significant impact.

cs.CL↗

arXiv2024

NeuroGraph: Benchmarks for Graph Machine Learning in Brain Connectomics

Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional magnetic resonance imaging (MRI) research, interactions between brain regions are commonly modeled using graph-based representations. The potency of graph machine learning methods has been established across myriad domains, marking a transformative step in data interpretation and predictive modeling. Yet, despite their promise, the transposition of these techniques to the neuroimaging domain has been challenging due to the expansive number of potential preprocessing pipelines and the large parameter search space for graph-based dataset construction. In this paper, we introduce NeuroGraph, a collection of graph-based neuroimaging datasets, and demonstrated its utility for predicting multiple categories of behavioral and cognitive traits. We delve deeply into the dataset generation search space by crafting 35 datasets that encompass static and dynamic brain connectivity, running in excess of 15 baseline methods for benchmarking. Additionally, we provide generic frameworks for learning on both static and dynamic graphs. Our extensive experiments lead to several key observations. Notably, using correlation vectors as node features, incorporating larger number of regions of interest, and employing sparser graphs lead to improved performance. To foster further advancements in graph-based data driven neuroimaging analysis, we offer a comprehensive open-source Python package that includes the benchmark datasets, baseline implementations, model training, and standard evaluation.

cs.LG↗

arXiv2024

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking

While deep learning has revolutionized computer-aided drug discovery, the AI community has predominantly focused on model innovation and placed less emphasis on establishing best benchmarking practices. We posit that without a sound model evaluation framework, the AI community's efforts cannot reach their full potential, thereby slowing the progress and transfer of innovation into real-world drug discovery. Thus, in this paper, we seek to establish a new gold standard for small molecule drug discovery benchmarking, WelQrate. Specifically, our contributions are threefold: WelQrate Dataset Collection - we introduce a meticulously curated collection of 9 datasets spanning 5 therapeutic target classes. Our hierarchical curation pipelines, designed by drug discovery experts, go beyond the primary high-throughput screen by leveraging additional confirmatory and counter screens along with rigorous domain-driven preprocessing, such as Pan-Assay Interference Compounds (PAINS) filtering, to ensure the high-quality data in the datasets; WelQrate Evaluation Framework - we propose a standardized model evaluation framework considering high-quality datasets, featurization, 3D conformation generation, evaluation metrics, and data splits, which provides a reliable benchmarking for drug discovery experts conducting real-world virtual screening; Benchmarking - we evaluate model performance through various research questions using the WelQrate dataset collection, exploring the effects of different models, dataset quality, featurization methods, and data splitting strategies on the results. In summary, we recommend adopting our proposed WelQrate as the gold standard in small molecule drug discovery benchmarking. The WelQrate dataset collection, along with the curation codes, and experimental scripts are all publicly available at WelQrate.org.

cs.LG↗

arXiv2024

Robust Graph Neural Networks via Unbiased Aggregation

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses. In this work, we delve into the robustness analysis of representative robust GNNs and provide a unified robust estimation point of view to understand their robustness and limitations. Our novel analysis of estimation bias motivates the design of a robust and unbiased graph signal estimator. We then develop an efficient Quasi-Newton Iterative Reweighted Least Squares algorithm to solve the estimation problem, which is unfolded as robust unbiased aggregation layers in GNNs with theoretical guarantees. Our comprehensive experiments confirm the strong robustness of our proposed model under various scenarios, and the ablation study provides a deep understanding of its advantages. Our code is available at https://github.com/chris-hzc/RUNG.

cs.LG↗

arXiv2024

Towards Trustworthy Knowledge Graph Reasoning: An Uncertainty Aware Perspective

Recently, Knowledge Graphs (KGs) have been successfully coupled with Large Language Models (LLMs) to mitigate their hallucinations and enhance their reasoning capability, such as in KG-based retrieval-augmented frameworks. However, current KG-LLM frameworks lack rigorous uncertainty estimation, limiting their reliable deployment in high-stakes applications. Directly incorporating uncertainty quantification into KG-LLM frameworks presents challenges due to their complex architectures and the intricate interactions between the knowledge graph and language model components. To address this gap, we propose a new trustworthy KG-LLM framework, Uncertainty Aware Knowledge-Graph Reasoning (UAG), which incorporates uncertainty quantification into the KG-LLM framework. We design an uncertainty-aware multi-step reasoning framework that leverages conformal prediction to provide a theoretical guarantee on the prediction set. To manage the error rate of the multi-step process, we additionally introduce an error rate control module to adjust the error rate within the individual components. Extensive experiments show that our proposed UAG can achieve any pre-defined coverage rate while reducing the prediction set/interval size by 40% on average over the baselines.

cs.AI↗

arXiv2024

FT-AED: Benchmark Dataset for Early Freeway Traffic Anomalous Event Detection

Early and accurate detection of anomalous events on the freeway, such as accidents, can improve emergency response and clearance. However, existing delays and errors in event identification and reporting make it a difficult problem to solve. Current large-scale freeway traffic datasets are not designed for anomaly detection and ignore these challenges. In this paper, we introduce the first large-scale lane-level freeway traffic dataset for anomaly detection. Our dataset consists of a month of weekday radar detection sensor data collected in 4 lanes along an 18-mile stretch of Interstate 24 heading toward Nashville, TN, comprising over 3.7 million sensor measurements. We also collect official crash reports from the Nashville Traffic Management Center and manually label all other potential anomalies in the dataset. To show the potential for our dataset to be used in future machine learning and traffic research, we benchmark numerous deep learning anomaly detection models on our dataset. We find that unsupervised graph neural network autoencoders are a promising solution for this problem and that ignoring spatial relationships leads to decreased performance. We demonstrate that our methods can reduce reporting delays by over 10 minutes on average while detecting 75% of crashes. Our dataset and all preprocessing code needed to get started are publicly released at https://vu.edu/ft-aed/ to facilitate future research.

cs.LG↗

arXiv2024

Edge Classification on Graphs: New Directions in Topological Imbalance

Recent years have witnessed the remarkable success of applying Graph machine learning (GML) to node/graph classification and link prediction. However, edge classification task that enjoys numerous real-world applications such as social network analysis and cybersecurity, has not seen significant advancement. To address this gap, our study pioneers a comprehensive approach to edge classification. We identify a novel `Topological Imbalance Issue', which arises from the skewed distribution of edges across different classes, affecting the local subgraph of each edge and harming the performance of edge classifications. Inspired by the recent studies in node classification that the performance discrepancy exists with varying local structural patterns, we aim to investigate if the performance discrepancy in topological imbalanced edge classification can also be mitigated by characterizing the local class distribution variance. To overcome this challenge, we introduce Topological Entropy (TE), a novel topological-based metric that measures the topological imbalance for each edge. Our empirical studies confirm that TE effectively measures local class distribution variance, and indicate that prioritizing edges with high TE values can help address the issue of topological imbalance. Based on this, we develop two strategies - Topological Reweighting and TE Wedge-based Mixup - to focus training on (synthetic) edges based on their TEs. While topological reweighting directly manipulates training edge weights according to TE, our wedge-based mixup interpolates synthetic edges between high TE wedges. Ultimately, we integrate these strategies into a novel topological imbalance strategy for edge classification: TopoEdge. Through extensive experiments, we demonstrate the efficacy of our proposed strategies on newly curated datasets and thus establish a new benchmark for (imbalanced) edge classification.

cs.LG↗