Tyler Derr

AAAI Conference 2026 Conference Paper

Graph2Video: Leveraging Video Models to Model Dynamic Graph Evolution

• Hua Liu
• Yanbin Wei
• Fei Xing
• Tyler Derr
• Haoyu Han
• Yu Zhang

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 full complexity of temporal evolution. They tend to overlook fine‑grained variations in interaction order, struggle with dependencies that span long time horizons, and provide limited modeling of pair‑specific relational dynamics. To address those challenges, we propose 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, 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 in the link prediction task on most cases. The results highlight that borrowing spatio‑temporal modeling techniques from computer vision provides a principled and effective avenue for advancing dynamic graph learning.

TIST Journal 2026 Journal Article

Introduction to the Special Issue on Transformers

• Feng Xia
• Tyler Derr
• Anh Tuan Luu
• Richa Singh
• Aline Villavicencio

ICLR Conference 2025 Conference Paper

A Large-scale Training Paradigm for Graph Generative Models

• Yu Wang 0160
• Ryan A. Rossi
• Namyong Park 0001
• Huiyuan Chen
• Nesreen K. Ahmed
• Puja Trivedi
• Franck Dernoncourt
• Danai Koutra

Large Generative Models (LGMs) such as GPT, Stable Diffusion, Sora, and Suno are trained on a huge amount of texts, images, videos, and audio that are extremely diverse from numerous domains. This large-scale training paradigm on diverse well-curated data enhances the creativity and diversity of the generated content. However, all previous graph-generative models (e.g., GraphRNN, MDVAE, MoFlow, GDSS, and DiGress) have been trained only on one dataset each time, which cannot replicate the revolutionary success achieved by LGMs in other fields. To remedy this crucial gap, we propose a large-scale training paradigm that uses a large corpus of graphs (over 5000 graphs) from 13 domains, leading to the development of large graph generative models (LGGMs). We empirically demonstrate that the pre-trained LGGMs have superior zero-shot generative capability to existing graph generative models. Furthermore, our pre-trained LGGMs can be easily fine-tuned with graphs from target domains and demonstrate even better performance than those directly trained from scratch, behaving as a solid starting point for real-world customization. Inspired by Stable Diffusion, we further equip LGGMs with the Text-to-Graph generation capability, such as providing the description of the network name and domain (i.e., "The power-1138-bus graph represents a network of buses in a power distribution system.") and network statistics (i.e., "The graph has a low average degree, suitable for modeling social media interactions."). This Text-to-Graph capability integrates the extensive world knowledge in the underlying language model, offering users fine-grained control of the generated graphs. We release the code, the model checkpoint, and the datasets at https://github.com/KINDLab-Fly/LGGM.

TIST Journal 2025 Journal Article

Fairness and Diversity in Recommender Systems: A Survey

• Yuying Zhao
• Yu Wang
• Yunchao Liu
• Xueqi Cheng
• Charu C. Aggarwal
• Tyler Derr

Recommender systems (RS) are effective tools for mitigating information overload and have seen extensive applications across various domains. However, the single focus on utility goals proves to be inadequate in addressing real-world concerns, leading to increasing attention to fairness-aware and diversity-aware RS. While most existing studies explore fairness and diversity independently, we identify strong connections between these two domains. In this survey, we first discuss each of them individually and then dive into their connections. Additionally, motivated by the concepts of user-level and item-level fairness, we broaden the understanding of diversity to encompass not only the item level but also the user level. With this expanded perspective on user and item-level diversity, we re-interpret fairness studies from the viewpoint of diversity. This fresh perspective enhances our understanding of fairness-related work and paves the way for potential future research directions. Articles discussed in this survey along with public code links are available at: https://github.com/YuyingZhao/Awesome-Fairness-and-Diversity-Papers-in-Recommender-Systems

TMLR Journal 2025 Journal Article

Personalization of Large Language Models: A Survey

• Zhehao Zhang
• Ryan A. Rossi
• Branislav Kveton
• Yijia Shao
• Diyi Yang
• Hamed Zamani
• Franck Dernoncourt
• Joe Barrow

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.

AAAI Conference 2025 Conference Paper

Towards Trustworthy Knowledge Graph Reasoning: An Uncertainty Aware Perspective

• Bo Ni
• Yu Wang
• Lu Cheng
• Erik Blasch
• Tyler Derr

Recently, Knowledge Graphs (KGs) have been successfully coupled with Large Language Models (LLMs) to mitigate their hallucinations and enhance their reasoning capability, e.g., KG-based retrieval-augmented framework. However, current KG-LLM frameworks lack rigorous uncertainty estimation, limiting their reliable deployment in applications where the cost of errors is significant. Directly incorporating uncertainty quantification into KG-LLM frameworks presents a challenge due to their more complex architectures and the intricate interactions between the knowledge graph and language model components. To address this crucial gap, we propose a new trustworthy KG-LLM framework, UAG (Uncertainty Aware Knowledge-Graph Reasoning), 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 UAG can achieve any pre-defined coverage rate while reducing the prediction set/interval size by 40% on average over the baselines.

ICLR Conference 2024 Conference Paper

A Topological Perspective on Demystifying GNN-Based Link Prediction Performance

• Yu Wang 0160
• Tong Zhao 0003
• Yuying Zhao
• Yunchao Liu 0001
• Xueqi Cheng
• Neil Shah
• Tyler Derr

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies improve the overall GNNs' LP performance, none have explored their varying performance across different nodes and the underlying reasons. To this end, we demystify which nodes perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit worse LP performance, we surprisingly observe an inconsistent performance trend. This prompts us to propose a node-level metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC correlates with LP performance more than other node-level topological metrics, better identifying low-performing nodes than using degree. With TC, we discover a novel topological distribution shift issue in which nodes' newly joined neighbors tend to become less interactive with their existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and justify its efficacy in approximating TC with reduced computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

NeurIPS Conference 2024 Conference Paper

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

• Austin Coursey
• Junyi Ji
• Marcos Quinones-Grueiro
• William Barbour
• Yuhang Zhang
• Tyler Derr
• Gautam Biswas
• Daniel B. Work

Early and accurate detection of anomalous events on the freeway, such as accidents, can improve emergency response and clearance. However, existing delays and mistakes from manual crash reporting records 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 Tennessee Department of Transportation 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.

AAAI Conference 2024 Conference Paper

Knowledge Graph Prompting for Multi-Document Question Answering

• Yu Wang
• Nedim Lipka
• Ryan A. Rossi
• Alexa Siu
• Ruiyi Zhang
• Tyler Derr

The `pre-train, prompt, predict' paradigm of large language models (LLMs) has achieved remarkable success in open-domain question answering (OD-QA). However, few works explore this paradigm in multi-document question answering (MD-QA), a task demanding a thorough understanding of the logical associations among the contents and structures of documents. To fill this crucial gap, we propose a Knowledge Graph Prompting (KGP) method to formulate the right context in prompting LLMs for MD-QA, which consists of a graph construction module and a graph traversal module. For graph construction, we create a knowledge graph (KG) over multiple documents with nodes symbolizing passages or document structures (e.g., pages/tables), and edges denoting the semantic/lexical similarity between passages or document structural relations. For graph traversal, we design an LLM-based graph traversal agent that navigates across nodes and gathers supporting passages assisting LLMs in MD-QA. The constructed graph serves as the global ruler that regulates the transitional space among passages and reduces retrieval latency. Concurrently, the graph traversal agent acts as a local navigator that gathers pertinent context to progressively approach the question and guarantee retrieval quality. Extensive experiments underscore the efficacy of KGP for MD-QA, signifying the potential of leveraging graphs in enhancing the prompt design and retrieval augmented generation for LLMs. Our code: https://github.com/YuWVandy/KG-LLM-MDQA.

AAAI Conference 2024 Conference Paper

Leveraging Opposite Gender Interaction Ratio as a Path towards Fairness in Online Dating Recommendations Based on User Sexual Orientation

• Yuying Zhao
• Yu Wang
• Yi Zhang
• Pamela Wisniewski
• Charu Aggarwal
• Tyler Derr

Online dating platforms have gained widespread popularity as a means for individuals to seek potential romantic relationships. While recommender systems have been designed to improve the user experience in dating platforms by providing personalized recommendations, increasing concerns about fairness have encouraged the development of fairness-aware recommender systems from various perspectives (e.g., gender and race). However, sexual orientation, which plays a significant role in finding a satisfying relationship, is under-investigated. To fill this crucial gap, we propose a novel metric, Opposite Gender Interaction Ratio (OGIR), as a way to investigate potential unfairness for users with varying preferences towards the opposite gender. We empirically analyze a real online dating dataset and observe existing recommender algorithms could suffer from group unfairness according to OGIR. We further investigate the potential causes for such gaps in recommendation quality, which lead to the challenges of group quantity imbalance and group calibration imbalance. Ultimately, we propose a fair recommender system based on re-weighting and re-ranking strategies to respectively mitigate these associated imbalance challenges. Experimental results demonstrate both strategies improve fairness while their combination achieves the best performance towards maintaining model utility while improving fairness.

NeurIPS Conference 2024 Conference Paper

Robust Graph Neural Networks via Unbiased Aggregation

• Zhichao Hou
• Ruiqi Feng
• Tyler Derr
• Xiaorui Liu

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 tounderstand 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.

NeurIPS Conference 2024 Conference Paper

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

• Yunchao Liu
• Ha Dong
• Xin Wang
• Rocco Moretti
• Yu Wang
• Zhaoqian Su
• Jiawei Gu
• Bobby Bodenheimer

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 www. WelQrate. org.

AAAI Conference 2023 Conference Paper

Fairness and Explainability: Bridging the Gap towards Fair Model Explanations

• Yuying Zhao
• Yu Wang
• Tyler Derr

While machine learning models have achieved unprecedented success in real-world applications, they might make biased/unfair decisions for specific demographic groups and hence result in discriminative outcomes. Although research efforts have been devoted to measuring and mitigating bias, they mainly study bias from the result-oriented perspective while neglecting the bias encoded in the decision-making procedure. This results in their inability to capture procedure-oriented bias, which therefore limits the ability to have a fully debiasing method. Fortunately, with the rapid development of explainable machine learning, explanations for predictions are now available to gain insights into the procedure. In this work, we bridge the gap between fairness and explainability by presenting a novel perspective of procedure-oriented fairness based on explanations. We identify the procedure-based bias by measuring the gap of explanation quality between different groups with Ratio-based and Value-based Explanation Fairness. The new metrics further motivate us to design an optimization objective to mitigate the procedure-based bias where we observe that it will also mitigate bias from the prediction. Based on our designed optimization objective, we propose a Comprehensive Fairness Algorithm (CFA), which simultaneously fulfills multiple objectives - improving traditional fairness, satisfying explanation fairness, and maintaining the utility performance. Extensive experiments on real-world datasets demonstrate the effectiveness of our proposed CFA and highlight the importance of considering fairness from the explainability perspective. Our code: https://github.com/YuyingZhao/FairExplanations-CFA.

AAAI Conference 2023 Conference Paper

Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery

• Yunchao (Lance) Liu
• Yu Wang
• Oanh Vu
• Rocco Moretti
• Bobby Bodenheimer
• Jens Meiler
• Tyler Derr

In computer-aided drug discovery, quantitative structure activity relation models are trained to predict biological activity from chemical structure. Despite the recent success of applying graph neural network to this task, important chemical information such as molecular chirality is ignored. To fill this crucial gap, we propose Molecular-Kernel Graph NeuralNetwork (MolKGNN) for molecular representation learning, which features SE(3)-/conformation invariance, chirality-awareness, and interpretability. For our MolKGNN, we first design a molecular graph convolution to capture the chemical pattern by comparing the atom's similarity with the learnable molecular kernels. Furthermore, we propagate the similarity score to capture the higher-order chemical pattern. To assess the method, we conduct a comprehensive evaluation with nine well-curated datasets spanning numerous important drug targets that feature realistic high class imbalance and it demonstrates the superiority of MolKGNN over other graph neural networks in computer-aided drug discovery. Meanwhile, the learned kernels identify patterns that agree with domain knowledge, confirming the pragmatic interpretability of this approach. Our code and supplementary material are publicly available at https://github.com/meilerlab/MolKGNN.

NeurIPS Conference 2023 Conference Paper

NeuroGraph: Benchmarks for Graph Machine Learning in Brain Connectomics

• Anwar Said
• Roza Bayrak
• Tyler Derr
• Mudassir Shabbir
• Daniel Moyer
• Catie Chang
• Xenofon Koutsoukos

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.

AAAI Conference 2021 Conference Paper

Stock Selection via Spatiotemporal Hypergraph Attention Network: A Learning to Rank Approach

• Ramit Sawhney
• Shivam Agarwal
• Arnav Wadhwa
• Tyler Derr
• Rajiv Ratn Shah

Quantitative trading and investment decision making are intricate financial tasks that rely on accurate stock selection. Despite advances in deep learning that have made significant progress in the complex and highly stochastic stock prediction problem, modern solutions face two significant limitations. They do not directly optimize the target of investment in terms of profit, and treat each stock as independent from the others, ignoring the rich signals between related stocks’ temporal price movements. Building on these limitations, we reformulate stock prediction as a learning to rank problem and propose STHAN-SR, a neural hypergraph architecture for stock selection. The key novelty of our work is the proposal of modeling the complex relations between stocks through a hypergraph and a temporal Hawkes attention mechanism to tailor a new spatiotemporal attention hypergraph network architecture to rank stocks based on profit by jointly modeling stock interdependence and the temporal evolution of their prices. Through experiments on three markets spanning over six years of data, we show that STHAN-SR significantly outperforms state-of-the-art neural stock forecasting methods. We validate our design choices through ablative and exploratory analyses over STHAN-SR’s spatial and temporal components and demonstrate its practical applicability.

IJCAI Conference 2019 Conference Paper

Deep Adversarial Social Recommendation

• Wenqi Fan
• Tyler Derr
• Yao Ma
• Jianping Wang
• Jiliang Tang
• Qing Li

Recent years have witnessed rapid developments on social recommendation techniques for improving the performance of recommender systems due to the growing influence of social networks to our daily life. The majority of existing social recommendation methods unify user representation for the user-item interactions (item domain) and user-user connections (social domain). However, it may restrain user representation learning in each respective domain, since users behave and interact differently in the two domains, which makes their representations to be heterogeneous. In addition, most of traditional recommender systems can not efficiently optimize these objectives, since they utilize negative sampling technique which is unable to provide enough informative guidance towards the training during the optimization process. In this paper, to address the aforementioned challenges, we propose a novel deep adversarial social recommendation framework DASO. It adopts a bidirectional mapping method to transfer users' information between social domain and item domain using adversarial learning. Comprehensive experiments on two real-world datasets show the effectiveness of the proposed framework.