Xiyang Hu

Kay Liu, Yingtong Dou, Yue Zhao et al.

Detecting which nodes in graphs are outliers is a relatively new machine learning task with numerous applications. Despite the proliferation of algorithms developed in recent years for this task, there has been no standard comprehensive setting for performance evaluation. Consequently, it has been difficult to understand which methods work well and when under a broad range of settings. To bridge this gap, we present--to the best of our knowledge--the first comprehensive benchmark for unsupervised outlier node detection on static attributed graphs called BOND, with the following highlights. (1) We benchmark the outlier detection performance of 14 methods ranging from classical matrix factorization to the latest graph neural networks. (2) Using nine real datasets, our benchmark assesses how the different detection methods respond to two major types of synthetic outliers and separately to "organic" (real non-synthetic) outliers. (3) Using an existing random graph generation technique, we produce a family of synthetically generated datasets of different graph sizes that enable us to compare the running time and memory usage of the different outlier detection algorithms. Based on our experimental results, we discuss the pros and cons of existing graph outlier detection algorithms, and we highlight opportunities for future research. Importantly, our code is freely available and meant to be easily extendable: https://github.com/pygod-team/pygod/tree/main/benchmark

Songqiao Han, Xiyang Hu, Hailiang Huang et al.

Given a long list of anomaly detection algorithms developed in the last few decades, how do they perform with regard to (i) varying levels of supervision, (ii) different types of anomalies, and (iii) noisy and corrupted data? In this work, we answer these key questions by conducting (to our best knowledge) the most comprehensive anomaly detection benchmark with 30 algorithms on 57 benchmark datasets, named ADBench. Our extensive experiments (98,436 in total) identify meaningful insights into the role of supervision and anomaly types, and unlock future directions for researchers in algorithm selection and design. With ADBench, researchers can easily conduct comprehensive and fair evaluations for newly proposed methods on the datasets (including our contributed ones from natural language and computer vision domains) against the existing baselines. To foster accessibility and reproducibility, we fully open-source ADBench and the corresponding results.

Kay Liu, Yingtong Dou, Xueying Ding et al.

PyGOD is an open-source Python library for detecting outliers in graph data. As the first comprehensive library of its kind, PyGOD supports a wide array of leading graph-based methods for outlier detection under an easy-to-use, well-documented API designed for use by both researchers and practitioners. PyGOD provides modularized components of the different detectors implemented so that users can easily customize each detector for their purposes. To ease the construction of detection workflows, PyGOD offers numerous commonly used utility functions. To scale computation to large graphs, PyGOD supports functionalities for deep models such as sampling and mini-batch processing. PyGOD uses best practices in fostering code reliability and maintainability, including unit testing, continuous integration, and code coverage. To facilitate accessibility, PyGOD is released under a BSD 2-Clause license at https://pygod.org and at the Python Package Index (PyPI).

Yue Huang, Chujie Gao, Siyuan Wu et al.

Generative Foundation Models (GenFMs) have emerged as transformative tools. However, their widespread adoption raises critical concerns regarding trustworthiness across dimensions. This paper presents a comprehensive framework to address these challenges through three key contributions. First, we systematically review global AI governance laws and policies from governments and regulatory bodies, as well as industry practices and standards. Based on this analysis, we propose a set of guiding principles for GenFMs, developed through extensive multidisciplinary collaboration that integrates technical, ethical, legal, and societal perspectives. Second, we introduce TrustGen, the first dynamic benchmarking platform designed to evaluate trustworthiness across multiple dimensions and model types, including text-to-image, large language, and vision-language models. TrustGen leverages modular components--metadata curation, test case generation, and contextual variation--to enable adaptive and iterative assessments, overcoming the limitations of static evaluation methods. Using TrustGen, we reveal significant progress in trustworthiness while identifying persistent challenges. Finally, we provide an in-depth discussion of the challenges and future directions for trustworthy GenFMs, which reveals the complex, evolving nature of trustworthiness, highlighting the nuanced trade-offs between utility and trustworthiness, and consideration for various downstream applications, identifying persistent challenges and providing a strategic roadmap for future research. This work establishes a holistic framework for advancing trustworthiness in GenAI, paving the way for safer and more responsible integration of GenFMs into critical applications. To facilitate advancement in the community, we release the toolkit for dynamic evaluation.

Minqi Jiang, Chaochuan Hou, Ao Zheng et al.

Anomaly detection (AD) is a crucial task in machine learning with various applications, such as detecting emerging diseases, identifying financial frauds, and detecting fake news. However, obtaining complete, accurate, and precise labels for AD tasks can be expensive and challenging due to the cost and difficulties in data annotation. To address this issue, researchers have developed AD methods that can work with incomplete, inexact, and inaccurate supervision, collectively summarized as weakly supervised anomaly detection (WSAD) methods. In this study, we present the first comprehensive survey of WSAD methods by categorizing them into the above three weak supervision settings across four data modalities (i.e., tabular, graph, time-series, and image/video data). For each setting, we provide formal definitions, key algorithms, and potential future directions. To support future research, we conduct experiments on a selected setting and release the source code, along with a collection of WSAD methods and data.

Xiyang Hu, Xinchi Chen, Peng Qi et al.

Multilingual information retrieval (IR) is challenging since annotated training data is costly to obtain in many languages. We present an effective method to train multilingual IR systems when only English IR training data and some parallel corpora between English and other languages are available. We leverage parallel and non-parallel corpora to improve the pretrained multilingual language models' cross-lingual transfer ability. We design a semantic contrastive loss to align representations of parallel sentences that share the same semantics in different languages, and a new language contrastive loss to leverage parallel sentence pairs to remove language-specific information in sentence representations from non-parallel corpora. When trained on English IR data with these losses and evaluated zero-shot on non-English data, our model demonstrates significant improvement to prior work on retrieval performance, while it requires much less computational effort. We also demonstrate the value of our model for a practical setting when a parallel corpus is only available for a few languages, but a lack of parallel corpora resources persists for many other low-resource languages. Our model can work well even with a small number of parallel sentences, and be used as an add-on module to any backbones and other tasks.

Minqi Jiang, Chaochuan Hou, Ao Zheng et al.

Deep learning (DL) techniques have recently found success in anomaly detection (AD) across various fields such as finance, medical services, and cloud computing. However, most of the current research tends to view deep AD algorithms as a whole, without dissecting the contributions of individual design choices like loss functions and network architectures. This view tends to diminish the value of preliminary steps like data preprocessing, as more attention is given to newly designed loss functions, network architectures, and learning paradigms. In this paper, we aim to bridge this gap by asking two key questions: (i) Which design choices in deep AD methods are crucial for detecting anomalies? (ii) How can we automatically select the optimal design choices for a given AD dataset, instead of relying on generic, pre-existing solutions? To address these questions, we introduce ADGym, a platform specifically crafted for comprehensive evaluation and automatic selection of AD design elements in deep methods. Our extensive experiments reveal that relying solely on existing leading methods is not sufficient. In contrast, models developed using ADGym significantly surpass current state-of-the-art techniques.

Yuangang Li, Jiaqi Li, Zhuo Xiao et al.

Anomaly detection (AD) is an important machine learning task with applications in fraud detection, content moderation, and user behavior analysis. However, AD is relatively understudied in a natural language processing (NLP) context, limiting its effectiveness in detecting harmful content, phishing attempts, and spam reviews. We introduce NLP-ADBench, the most comprehensive NLP anomaly detection (NLP-AD) benchmark to date, which includes eight curated datasets and 19 state-of-the-art algorithms. These span 3 end-to-end methods and 16 two-step approaches that adapt classical, non-AD methods to language embeddings from BERT and OpenAI. Our empirical results show that no single model dominates across all datasets, indicating a need for automated model selection. Moreover, two-step methods with transformer-based embeddings consistently outperform specialized end-to-end approaches, with OpenAI embeddings outperforming those of BERT. We release NLP-ADBench at https://github.com/USC-FORTIS/NLP-ADBench, providing a unified framework for NLP-AD and supporting future investigations.

Li Li, Peilin Cai, Ryan A. Rossi et al.

We present PersonaConvBench, a large-scale benchmark for evaluating personalized reasoning and generation in multi-turn conversations with large language models (LLMs). Unlike existing work that focuses on either personalization or conversational structure in isolation, PersonaConvBench integrates both, offering three core tasks: sentence classification, impact regression, and user-centric text generation across ten diverse Reddit-based domains. This design enables systematic analysis of how personalized conversational context shapes LLM outputs in realistic multi-user scenarios. We benchmark several commercial and open-source LLMs under a unified prompting setup and observe that incorporating personalized history yields substantial performance improvements, including a 198 percent relative gain over the best non-conversational baseline in sentiment classification. By releasing PersonaConvBench with evaluations and code, we aim to support research on LLMs that adapt to individual styles, track long-term context, and produce contextually rich, engaging responses.

Tiankai Yang, Junjun Liu, Wingchun Siu et al.

Anomaly detection (AD) is essential in areas such as fraud detection, network monitoring, and scientific research. However, the diversity of data modalities and the increasing number of specialized AD libraries pose challenges for non-expert users who lack in-depth library-specific knowledge and advanced programming skills. To tackle this, we present AD-AGENT, an LLM-driven multi-agent framework that turns natural-language instructions into fully executable AD pipelines. AD-AGENT coordinates specialized agents for intent parsing, data preparation, library and model selection, documentation mining, and iterative code generation and debugging. Using a shared short-term workspace and a long-term cache, the agents integrate popular AD libraries like PyOD, PyGOD, and TSLib into a unified workflow. Experiments demonstrate that AD-AGENT produces reliable scripts and recommends competitive models across libraries. The system is open-sourced to support further research and practical applications in AD.

Yue Zhao, Xiyang Hu, Cheng Cheng et al.

Outlier detection (OD) is a key machine learning (ML) task for identifying abnormal objects from general samples with numerous high-stake applications including fraud detection and intrusion detection. Due to the lack of ground truth labels, practitioners often have to build a large number of unsupervised, heterogeneous models (i.e., different algorithms with varying hyperparameters) for further combination and analysis, rather than relying on a single model. How to accelerate the training and scoring on new-coming samples by outlyingness (referred as prediction throughout the paper) with a large number of unsupervised, heterogeneous OD models? In this study, we propose a modular acceleration system, called SUOD, to address it. The proposed system focuses on three complementary acceleration aspects (data reduction for high-dimensional data, approximation for costly models, and taskload imbalance optimization for distributed environment), while maintaining performance accuracy. Extensive experiments on more than 20 benchmark datasets demonstrate SUOD's effectiveness in heterogeneous OD acceleration, along with a real-world deployment case on fraudulent claim analysis at IQVIA, a leading healthcare firm. We open-source SUOD for reproducibility and accessibility.

Xiyang Hu, Cynthia Rudin, Margo Seltzer

Decision tree algorithms have been among the most popular algorithms for interpretable (transparent) machine learning since the early 1980's. The problem that has plagued decision tree algorithms since their inception is their lack of optimality, or lack of guarantees of closeness to optimality: decision tree algorithms are often greedy or myopic, and sometimes produce unquestionably suboptimal models. Hardness of decision tree optimization is both a theoretical and practical obstacle, and even careful mathematical programming approaches have not been able to solve these problems efficiently. This work introduces the first practical algorithm for optimal decision trees for binary variables. The algorithm is a co-design of analytical bounds that reduce the search space and modern systems techniques, including data structures and a custom bit-vector library. Our experiments highlight advantages in scalability, speed, and proof of optimality. The code is available at https://github.com/xiyanghu/OSDT.

Sizhe Liu, Yizhou Lu, Siyu Chen et al.

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized context of pharmaceutical research. This limitation prevents practitioners from making full use of the latest AI developments in drug discovery. To address this challenge, we introduce DrugAgent, a multi-agent framework that automates machine learning (ML) programming for drug discovery tasks. DrugAgent employs an LLM Planner that formulates high-level ideas and an LLM Instructor that identifies and integrates domain knowledge when implementing those ideas. We present case studies on three representative drug discovery tasks. Our results show that DrugAgent consistently outperforms leading baselines, including a relative improvement of 4.92% in ROC-AUC compared to ReAct for drug-target interaction (DTI). DrugAgent is publicly available at https://anonymous.4open.science/r/drugagent-5C42/.

Tiankai Yang, Yi Nian, Shawn Li et al.

Anomaly detection (AD) is an important machine learning task with many real-world uses, including fraud detection, medical diagnosis, and industrial monitoring. Within natural language processing (NLP), AD helps detect issues like spam, misinformation, and unusual user activity. Although large language models (LLMs) have had a strong impact on tasks such as text generation and summarization, their potential in AD has not been studied enough. This paper introduces AD-LLM, the first benchmark that evaluates how LLMs can help with NLP anomaly detection. We examine three key tasks: (i) zero-shot detection, using LLMs' pre-trained knowledge to perform AD without tasks-specific training; (ii) data augmentation, generating synthetic data and category descriptions to improve AD models; and (iii) model selection, using LLMs to suggest unsupervised AD models. Through experiments with different datasets, we find that LLMs can work well in zero-shot AD, that carefully designed augmentation methods are useful, and that explaining model selection for specific datasets remains challenging. Based on these results, we outline six future research directions on LLMs for AD.

Haoyan Xu, Zhengtao Yao, Ziyi Wang et al.

Out-of-distribution (OOD) detection in graphs is critical for ensuring model robustness in open-world and safety-sensitive applications. Existing graph OOD detection approaches typically train an in-distribution (ID) classifier on ID data alone, then apply post-hoc scoring to detect OOD instances. While OOD exposure - adding auxiliary OOD samples during training - can improve detection, current graph-based methods often assume access to real OOD nodes, which is often impractical or costly. In this paper, we present GOE-LLM, a framework that leverages Large Language Models (LLMs) to achieve OOD exposure on text-attributed graphs without using any real OOD nodes. GOE-LLM introduces two pipelines: (1) identifying pseudo-OOD nodes from the initially unlabeled graph using zero-shot LLM annotations, and (2) generating semantically informative synthetic OOD nodes via LLM-prompted text generation. These pseudo-OOD nodes are then used to regularize ID classifier training and enhance OOD detection awareness. Empirical results on multiple benchmarks show that GOE-LLM substantially outperforms state-of-the-art methods without OOD exposure, achieving up to a 23.5% improvement in AUROC for OOD detection, and attains performance on par with those relying on real OOD labels for exposure.

Xiyang Hu, Yan Huang, Beibei Li et al.

FinTech lending (e.g., micro-lending) has played a significant role in facilitating financial inclusion. It has reduced processing times and costs, enhanced the user experience, and made it possible for people to obtain loans who may not have qualified for credit from traditional lenders. However, there are concerns about the potentially biased algorithmic decision-making during loan screening. Machine learning algorithms used to evaluate credit quality can be influenced by representation bias in the training data, as we only have access to the default outcome labels of approved loan applications, for which the borrowers' socioeconomic characteristics are better than those of rejected ones. In this case, the model trained on the labeled data performs well on the historically approved population, but does not generalize well to borrowers of low socioeconomic background. In this paper, we investigate the problem of representation bias in loan screening for a real-world FinTech lending platform. We propose a new Transformer-based sequential loan screening model with self-supervised contrastive learning and domain adaptation to tackle this challenging issue. We use contrastive learning to train our feature extractor on unapproved (unlabeled) loan applications and use domain adaptation to generalize the performance of our label predictor. We demonstrate the effectiveness of our model through extensive experimentation in the real-world micro-lending setting. Our results show that our model significantly promotes the inclusiveness of funding decisions, while also improving loan screening accuracy and profit by 7.10% and 8.95%, respectively. We also show that incorporating the test data into contrastive learning and domain adaptation and labeling a small ratio of test data can further boost model performance.

Xiyang Hu, Yan Huang, Beibei Li et al.

We develop a structural econometric model to capture the decision dynamics of human evaluators on an online micro-lending platform, and estimate the model parameters using a real-world dataset. We find two types of biases in gender, preference-based bias and belief-based bias, are present in human evaluators' decisions. Both types of biases are in favor of female applicants. Through counterfactual simulations, we quantify the effect of gender bias on loan granting outcomes and the welfare of the company and the borrowers. Our results imply that both the existence of the preference-based bias and that of the belief-based bias reduce the company's profits. When the preference-based bias is removed, the company earns more profits. When the belief-based bias is removed, the company's profits also increase. Both increases result from raising the approval probability for borrowers, especially male borrowers, who eventually pay back loans. For borrowers, the elimination of either bias decreases the gender gap of the true positive rates in the credit risk evaluation. We also train machine learning algorithms on both the real-world data and the data from the counterfactual simulations. We compare the decisions made by those algorithms to see how evaluators' biases are inherited by the algorithms and reflected in machine-based decisions. We find that machine learning algorithms can mitigate both the preference-based bias and the belief-based bias.

Zheng Li, Yue Zhao, Xiyang Hu et al.

Outlier detection refers to the identification of data points that deviate from a general data distribution. Existing unsupervised approaches often suffer from high computational cost, complex hyperparameter tuning, and limited interpretability, especially when working with large, high-dimensional datasets. To address these issues, we present a simple yet effective algorithm called ECOD (Empirical-Cumulative-distribution-based Outlier Detection), which is inspired by the fact that outliers are often the "rare events" that appear in the tails of a distribution. In a nutshell, ECOD first estimates the underlying distribution of the input data in a nonparametric fashion by computing the empirical cumulative distribution per dimension of the data. ECOD then uses these empirical distributions to estimate tail probabilities per dimension for each data point. Finally, ECOD computes an outlier score of each data point by aggregating estimated tail probabilities across dimensions. Our contributions are as follows: (1) we propose a novel outlier detection method called ECOD, which is both parameter-free and easy to interpret; (2) we perform extensive experiments on 30 benchmark datasets, where we find that ECOD outperforms 11 state-of-the-art baselines in terms of accuracy, efficiency, and scalability; and (3) we release an easy-to-use and scalable (with distributed support) Python implementation for accessibility and reproducibility.

Zheng Li, Yue Zhao, Nicola Botta et al.

Outlier detection refers to the identification of rare items that are deviant from the general data distribution. Existing approaches suffer from high computational complexity, low predictive capability, and limited interpretability. As a remedy, we present a novel outlier detection algorithm called COPOD, which is inspired by copulas for modeling multivariate data distribution. COPOD first constructs an empirical copula, and then uses it to predict tail probabilities of each given data point to determine its level of "extremeness". Intuitively, we think of this as calculating an anomalous p-value. This makes COPOD both parameter-free, highly interpretable, and computationally efficient. In this work, we make three key contributions, 1) propose a novel, parameter-free outlier detection algorithm with both great performance and interpretability, 2) perform extensive experiments on 30 benchmark datasets to show that COPOD outperforms in most cases and is also one of the fastest algorithms, and 3) release an easy-to-use Python implementation for reproducibility.