Large language models (LLMs) exhibit logically inconsistent hallucinations that appear coherent yet violate reasoning principles, with recent research suggesting an inverse relationship between causal reasoning capabilities and such hallucinations. However, existing reasoning approaches in LLMs, such as Chain-of-Thought (CoT) and its graph-based variants, operate at the linguistic token level rather than modeling the underlying causal relationships between variables, lacking the ability to represent conditional independencies or satisfy causal identification assumptions. To bridge this gap, we introduce causal-DAG construction and reasoning (CDCR-SFT), a supervised fine-tuning framework that trains LLMs to explicitly construct variable-level directed acyclic graph (DAG) and then perform reasoning over it. Moreover, we present a dataset comprising 25,368 samples (CausalDR), where each sample includes an input question, explicit causal DAG, graph-based reasoning trace, and validated answer. Experiments on four LLMs across eight tasks show that CDCR-SFT improves the causal reasoning capability with the state-of-the-art 95.33% accuracy on CLADDER (surpassing human performance of 94.8% for the first time) and reduces the hallucination on HaluEval with 10% improvements. It demonstrates that explicit causal structure modeling in LLMs can effectively mitigate logical inconsistencies in LLM outputs.

Learning from preference-based feedback has become an effective approach for aligning LLMs across diverse tasks.However, highquality human-annotated preference data remains expensive and scarce.Existing methods address this challenge through either selfrewarding, which scales by using purely AIgenerated labels but risks unreliability, or active learning, which ensures quality through oracle annotation but cannot fully leverage unlabeled data.In this paper, we present COACT, a novel framework that synergistically combines selfrewarding and active learning through strategic human-AI collaboration.COACT leverages self-consistency to identify both reliable selflabeled data and samples that are requiring oracle verification.Additionally, oracle feedback guides the model to generate new instructions within its solvable capability.Evaluated on three reasoning benchmarks across two model families, COACT achieves average improvements of +13.25% on GSM8K, +8.19% on MATH, and +13.16% on WebInstruct, consistently outperforming all baselines.1

Time series anomaly detection (TSAD) has been a long-standing pillar problem in Web-scale systems and online infrastructures, such as service reliability monitoring, system fault diagnosis, and performance optimization. Large language models (LLMs) have demonstrated unprecedented capabilities in time series analysis, the potential of multimodal LLMs (MLLMs), particularly vision-language models, in TSAD remains largely under-explored. One natural way for humans to detect time series anomalies is through visualization and textual description. It motivates our research question: Can multimodal LLMs perform time series anomaly detection? Existing studies often oversimplify the problem by treating point-wise anomalies as special cases of range-wise ones or by aggregating point anomalies to approximate range-wise scenarios. They limit our understanding for realistic scenarios such as multi-granular anomalies and irregular time series. To address the gap, we build a VisualTimeAnomaly benchmark to comprehensively investigate zero-shot capabilities of MLLMs for TSAD, progressively from point-, range-, to variate-wise anomalies, and extends to irregular sampling conditions. Our study reveals several key insights in multimodal MLLMs for TSAD. Built on these findings, we propose a MLLMs-based multi-agent framework TSAD-Agents to achieve automatic TSAD. Our framework comprises scanning, planning, detection, and checking agents that synergistically collaborate to reason, plan, and self-reflect to enable automatic TSAD. These agents adaptively invoke tools such as traditional methods and MLLMs and dynamically switch between text and image modalities to optimize detection performance.

Yu Xia, Subhojyoti Mukherjee, Zhouhang Xie, Junda Wu, Xintong Li, Ryan Aponte, Hanjia Lyu, Joe Barrow, Hongjie Chen, Franck Dernoncourt, Branislav Kveton, Tong Yu, Ruiyi Zhang, Jiuxiang Gu, Nesreen K. Ahmed, Yu Wang, Xiang Chen, Hanieh Deilamsalehy, Sungchul Kim, Zhengmian Hu, Yue Zhao, Nedim Lipka, Seunghyun Yoon, Ting-Hao Kenneth Huang, Zichao Wang, Puneet Mathur, Soumyabrata Pal, Koyel Mukherjee, Zhehao Zhang, Namyong Park, Thien Huu Nguyen, Jiebo Luo, Ryan A. Rossi, Julian McAuley. Proceedings of the 63rd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2025.

Out-of-distribution (OOD) detection is crucial for ensuring the robustness of machine learning models by identifying samples that deviate from the training distribution. While traditional OOD detection has predominantly focused on single-modality inputs, such as images, recent advancements in multimodal models have shown the potential of utilizing multiple modalities (e.g., video, optical flow, audio) to improve detection performance. However, existing approaches often neglect intra-class variability within in-distribution (ID) data, assuming that samples of the same class are perfectly cohesive and consistent. This assumption can lead to performance degradation, especially when prediction discrepancies are indiscriminately amplified across all samples. To address this issue, we propose Dynamic Prototype Updating (DPU), a novel plug-and-play framework for multimodal OOD detection that accounts for intra-class variations. Our method dynamically updates class center representations for each class by measuring the variance of similar samples within each batch, enabling tailored adjustments. This approach allows us to intensify prediction discrepancies based on the updated class centers, thereby enhancing the model’s robustness and generalization across different modalities. Extensive experiments on two tasks, five datasets, and nine base OOD algorithms demonstrate that DPU significantly improves OOD detection performances, setting a new state-of-the-art in multimodal OOD detection, including improvements up to 80% in Far-OOD detection. To improve accessibility and reproducibility, our code is released at https://github.com/lili0415/DPU-OOD-Detection.

Recent advancements in diffusion models have made generative image editing more accessible than ever. While these developments allow users to generate creative edits with ease, they also raise significant ethical concerns, particularly regarding malicious edits to human portraits that threaten individuals’ privacy and identity security. Existing general-purpose image protection methods primarily focus on generating adversarial perturbations to nullify edit effects. However, these approaches often exhibit instability to protect against diverse editing requests. In this work, we introduce a novel perspective to personal human portrait protection against malicious editing. Unlike traditional methods aiming to prevent edits from taking effect, our method, FaceLock, optimizes adversarial perturbations to ensure that original biometric information—such as facial features—is either destroyed or substantially altered post-editing, rendering the subject in the edited output biometrically unrecognizable. Our approach innovatively integrates facial recognition and visual perception factors into the perturbation optimization process, ensuring robust protection against a variety of editing attempts. Besides, we shed light on several critical issues with commonly used evaluation metrics in image editing and reveal cheating methods by which they can be easily manipulated, leading to deceptive assessments of protection. Through extensive experiments, we demonstrate that FaceLock significantly outperforms all baselines in defense performance against a wide range of malicious edits. Moreover, our method also exhibits strong robustness against purification techniques. Comprehensive ablation studies confirm the stability and broad applicability of our method across diverse diffusion-based editing algorithms. Our work not only advances the state-of-the-art in biometric defense but also sets the foundation for more secure and privacy-preserving practices in image editing. The code is publicly available at: https://github.com/taco-group/FaceLock.

Accurate typhoon track forecasting is crucial for early system warning and disaster response. While Transformer-based models have demonstrated strong performance in modeling the temporal dynamics of dense trajectories of humans and vehicles in smart cities, they usually lack access to broader contextual knowledge that enhances the forecasting reliability of sparse meteorological trajectories, such as typhoon tracks. To address this challenge, we propose TyphoFormer, a novel framework that incorporates natural language descriptions as auxiliary prompts to improve typhoon trajectory forecasting. For each time step, we use Large Language Model (LLM) to generate concise textual descriptions based on the numerical attributes recorded in the North Atlantic hurricane database. The language descriptions capture high-level meteorological semantics and are embedded as auxiliary special tokens prepended to the numerical time series input. By integrating both textual and sequential information within a unified Transformer encoder, TyphoFormer enables the model to leverage contextual cues that are otherwise inaccessible through numerical features alone. Extensive experiments are conducted on HURDAT2 benchmark, results show that our TyphoFormer consistently outperforms other state-of-the-art baseline methods, particularly under challenging scenarios involving nonlinear path shifts and limited historical observations.

How can we automatically select an out-of-distribution (OOD) detection model for various underlying tasks? This is crucial for maintaining the reliability of open-world applications by identifying data distribution shifts, particularly in critical domains such as online transactions, autonomous driving, and real-time patient diagnosis. Despite the availability of numerous OOD detection methods, the challenge of selecting an optimal model for diverse tasks remains largely underexplored, especially in scenarios lacking ground truth labels. In this work, we introduce MetaOOD, the first zero-shot, unsupervised framework that utilizes meta-learning to select an OOD detection model automatically. As a meta-learning approach, MetaOOD leverages historical performance data of existing methods across various benchmark OOD detection datasets, enabling the effective selection of a suitable model for new datasets without the need for labeled data at the test time. To quantify task similarities more accurately, we introduce language model-based embeddings that capture the distinctive OOD characteristics of both datasets and detection models. Through extensive experimentation with 24 unique test dataset pairs to choose from among 11 OOD detection models, we demonstrate that MetaOOD significantly outperforms existing methods and only brings marginal time overhead. Our results, validated by Wilcoxon statistical tests, show that MetaOOD surpasses a diverse group of 11 baselines, including established OOD detectors and advanced unsupervised selection methods.

Model extraction attacks pose significant security threats to deployed language models, potentially compromising intellectual property and user privacy. This survey provides a comprehensive taxonomy of LLM-specific extraction attacks and defenses, categorizing attacks into functionality extraction, training data extraction, and prompt-targeted attacks. We analyze various attack methodologies including API-based knowledge distillation, direct querying, parameter recovery, and prompt stealing techniques that exploit transformer architectures. We then examine defense mechanisms organized into model protection, data privacy protection, and prompt-targeted strategies, evaluating their effectiveness across different deployment scenarios. We propose specialized metrics for evaluating both attack effectiveness and defense performance, addressing the specific challenges of generative language models. Through our analysis, we identify critical limitations in current approaches and propose promising research directions, including integrated attack methodologies and adaptive defense mechanisms that balance security with model utility. This work serves NLP researchers, ML engineers, and security professionals seeking to protect language models in production environments.

Agent systems based on large language models (LLMs) have shown great potential in complex reasoning tasks, but building efficient and generalizable workflows remains a major challenge. Most existing approaches rely on manually designed processes, which limits their adaptability across different tasks. While a few methods attempt automated workflow generation, they are often tied to specific datasets or query types and make limited use of intermediate feedback, reducing system robustness and reasoning depth. Moreover, their operations are typically predefined and inflexible. To address these limitations, we propose **DyFlow**, a dynamic workflow generation framework that adaptively constructs and adjusts reasoning procedures based on task requirements and real-time intermediate feedback, thereby enhancing cross-task generalization. DyFlow consists of two core components: a designer and an executor. The designer decomposes complex problems into a sequence of sub-goals defined by high-level objectives and dynamically plans the next steps based on intermediate outputs and feedback. These plans are then carried out by the executor, which executes each operation using dynamic operators with context-aware parameterization, enabling flexible and semantically grounded reasoning. We systematically evaluate DyFlow across diverse domains, including social reasoning, biomedical tasks, mathematical problem solving, and code generation. Results demonstrate that DyFlow significantly outperforms existing baselines, achieving substantial Pass@k improvements and exhibiting robust generalization across diverse domains.

Anomaly detection (AD) is essential in identifying rare and often critical events in complex systems, finding applications in fields such as network intrusion detection, financial fraud detection, and fault detection in infrastructure and industrial systems. While AD is typically treated as an unsupervised learning task due to the high cost of label annotation, it is more practical to assume access to a small set of labeled anomaly samples from domain experts, as is the case for semi-supervised AD. Semi-supervised and supervised approaches can leverage such labeled data, resulting in improved performance. In this article, rather than proposing a new semi-supervised or supervised approach for AD, we introduce a novel algorithm for generating additional pseudo-anomalies on the basis of the limited labeled anomalies and a large volume of unlabeled data. This serves as an augmentation to facilitate the detection of new anomalies. Our proposed algorithm, named nearest neighbor Gaussian mix-up (NNG-Mix), efficiently integrates information from both labeled and unlabeled data to generate pseudo-anomalies. We compare the performance of this novel algorithm with commonly applied augmentation techniques, such as Mixup and Cutout. We evaluate NNG-Mix by training various existing semi-supervised and supervised AD algorithms on the original training data along with the generated pseudo-anomalies. Through extensive experiments on 57 benchmark datasets in ADBench, reflecting different data types, we demonstrate that NNG-Mix outperforms other data augmentation methods. It yields significant performance improvements compared to the baselines trained exclusively on the original training data. Notably, NNG-Mix yields up to 16.4%, 8.8%, and 8.0% improvements on Classical, CV, and NLP datasets in ADBench. Our source code is available at https://github.com/donghao51/NNG-Mix.

Anomaly detection (AD), often termed outlier detection, is a key machine learning (ML) task, aiming to identify uncommon yet crucial patterns in data. With the increasing complexity of the modern world, the applications of AD span wide—from NASA's spacecraft monitoring to early patient prioritization at University of Pittsburgh Medical Center. Technology giants like Google and Amazon also leverage AD for service disruption identification. Here, I will traverse my AD works with promising new directions, particularly emphasizing reproducible benchmarks (Part 1), automated algorithms (Part 2), and scalable systems (Part 3).

Large language models (LLMs) have gained considerable attention for their excellent natural language processing capabilities. Nonetheless, these LLMs present many challenges, particularly in the realm of trustworthiness. This paper introduces TrustLLM, a comprehensive study of trustworthiness in LLMs, including principles for different dimensions of trustworthiness, established benchmark, evaluation, and analysis of trustworthiness for mainstream LLMs, and discussion of open challenges and future directions. Specifically, we first propose a set of principles for trustworthy LLMs that span eight different dimensions. Based on these principles, we further establish a benchmark across six dimensions including truthfulness, safety, fairness, robustness, privacy, and machine ethics. We then present a study evaluating 16 mainstream LLMs in TrustLLM, consisting of over 30 datasets. Our findings firstly show that in general trustworthiness and capability (i.e., functional effectiveness) are positively related. Secondly, our observations reveal that proprietary LLMs generally outperform most open-source counterparts in terms of trustworthiness, raising concerns about the potential risks of widely accessible open-source LLMs. However, a few open-source LLMs come very close to proprietary ones, suggesting that open-source models can achieve high levels of trustworthiness without additional mechanisms like moderator, offering valuable insights for developers in this field. Thirdly, it is important to note that some LLMs may be overly calibrated towards exhibiting trustworthiness, to the extent that they compromise their utility by mistakenly treating benign prompts as harmful and consequently not responding. Besides these observations, we’ve uncovered key insights into the multifaceted trustworthiness in LLMs. We emphasize the importance of ensuring transparency not only in the models themselves but also in the technologies that underpin trustworthiness. We advocate that the establishment of an AI alliance between industry, academia, the open-source community to foster collaboration is imperative to advance the trustworthiness of LLMs.

Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner. Despite their effective performance, these strategies face limitations in the molecule synthetic route generation due to a greedy selection of the next molecule set without any lookahead. Furthermore, existing strategies cannot control the generation of synthetic routes based on possible criteria such as material costs, yields, and step count. In this work, we propose a general and principled framework via conditional residual energy-based models (EBMs), that focus on the quality of the entire synthetic route based on the specific criteria. By incorporating an additional energy-based function into our probabilistic model, our proposed algorithm can enhance the quality of the most probable synthetic routes (with higher probabilities) generated by various strategies in a plug-and-play fashion. Extensive experiments demonstrate that our framework can consistently boost performance across various strategies and outperforms previous state-of-the-art top-1 accuracy by a margin of 2.5%. Code is available at https://github.com/SongtaoLiu0823/CREBM.

Deep neural network based Outlier Detection (DOD) has seen a recent surge of attention thanks to the many advances in deep learning. In this paper, we consider a critical-yet-understudied challenge with unsupervised DOD, that is, effective hyperparameter (HP) tuning/model selection. While several prior work report the sensitivity of OD models to HP settings, the issue is ever so critical for the modern DOD models that exhibit a long list of HPs. We introduce HYPER for tuning DOD models, tackling two fundamental challenges: (1) validation without supervision (due to lack of labeled outliers), and (2) efficient search of the HP/model space (due to exponential growth in the number of HPs). A key idea is to design and train a novel hypernetwork (HN) that maps HPs onto optimal weights of the main DOD model. In turn, HYPER capitalizes on a single HN that can dynamically generate weights for many DOD models (corresponding to varying HPs), which offers significant speed-up. In addition, it employs meta-learning on historical OD tasks with labels to train a proxy validation function, likewise trained with our proposed HN efficiently. Extensive experiments on different OD tasks show that HYPER achieves competitive performance against 8 baselines with significant efficiency gains.

Detecting out-of-distribution (OOD) samples is important for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. Existing research has mainly focused on unimodal scenarios on image data. However, real-world applications are inherently multimodal, which makes it essential to leverage information from multiple modalities to enhance the efficacy of OOD detection. To establish a foundation for more realistic Multimodal OOD Detection, we introduce the first-of-its-kind benchmark, MultiOOD, characterized by diverse dataset sizes and varying modality combinations. We first evaluate existing unimodal OOD detection algorithms on MultiOOD, observing that the mere inclusion of additional modalities yields substantial improvements. This underscores the importance of utilizing multiple modalities for OOD detection. Based on the observation of Modality Prediction Discrepancy between in-distribution (ID) and OOD data, and its strong correlation with OOD performance, we propose the Agree-to-Disagree (A2D) algorithm to encourage such discrepancy during training. Moreover, we introduce a novel outlier synthesis method, NP-Mix, which explores broader feature spaces by leveraging the information from nearest neighbor classes and complements A2D to strengthen OOD detection performance. Extensive experiments on MultiOOD demonstrate that training with A2D and NP-Mix improves existing OOD detection algorithms by a large margin. To support accessibility and reproducibility, our source code and MultiOOD benchmark are available at https://github.com/donghao51/MultiOOD.

Existing works on anomaly detection (AD) rely on clean labels from human annotators that are expensive to acquire in practice. In this work, we propose a method to leverage weak/noisy labels (e.g., risk scores generated by machine rules for detecting malware) that are cheaper to obtain for anomaly detection. Specifically, we propose ADMoE, the first framework for anomaly detection algorithms to learn from noisy labels. In a nutshell, ADMoE leverages mixture-of-experts (MoE) architecture to encourage specialized and scalable learning from multiple noisy sources. It captures the similarities among noisy labels by sharing most model parameters, while encouraging specialization by building "expert" sub-networks. To further juice out the signals from noisy labels, ADMoE uses them as input features to facilitate expert learning. Extensive results on eight datasets (including a proprietary enterprise security dataset) demonstrate the effectiveness of ADMoE, where it brings up to 34% performance improvement over not using it. Also, it outperforms a total of 13 leading baselines with equivalent network parameters and FLOPS. Notably, ADMoE is model-agnostic to enable any neural network-based detection methods to handle noisy labels, where we showcase its results on both multiple-layer perceptron (MLP) and the leading AD method DeepSAD.

Neural architecture search (NAS) for Graph neural networks (GNNs), called NAS-GNNs, has achieved significant performance over manually designed GNN architectures. However, these methods inherit issues from the conventional NAS methods, such as high computational cost and optimization difficulty. More importantly, previous NAS methods have ignored the uniqueness of GNNs, where GNNs possess expressive power without training. With the randomly-initialized weights, we can then seek the optimal architecture parameters via the sparse coding objective and derive a novel NAS-GNNs method, namely neural architecture coding (NAC). Consequently, our NAC holds a no-update scheme on GNNs and can efficiently compute in linear time. Empirical evaluations on multiple GNN benchmark datasets demonstrate that our approach leads to state-of-the-art performance, which is up to $200\times$ faster and $18.8%$ more accurate than the strong baselines.

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.

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 calledECOD(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,ECODfirst estimates the underlying distribution of the input data in a nonparametric fashion by computing the empirical cumulative distribution per dimension of the data.ECODthen uses these empirical distributions to estimate tail probabilities per dimension for each data point. Finally,ECODcomputes 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 calledECOD, which is both parameter-free and easy to interpret; (2) we perform extensive experiments on 30 benchmark datasets, where we find thatECODoutperforms 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.

Today there exists no shortage of outlier detection algorithms in the literature, yet the complementary and critical problem of unsupervised outlier model selection (UOMS) is vastly understudied. In this work, we propose ELECT, a new approach to select an effective candidate model, i.e. an outlier detection algorithm and its hyperparameter(s), to employ on a new dataset without any labels. At its core, ELECT is based on meta-learning; transferring prior knowledge (e.g. model performance) on historical datasets that are similar to the new one to facilitate UOMS. Uniquely, it employs a dataset similarity measure that is performance-based, which is more direct and goal-driven than other measures used in the past. ELECT adaptively searches for similar historical datasets, as such, it can serve an output on-demand, being able to accommodate varying time budgets. Extensive experiments show that ELECT significantly outperforms a wide range of basic UOMS baselines, including no model selection (always using the same popular model such as iForest) as well as more recent selection strategies based on meta-features.

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.

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

Outlier detection (OD) is a key machine learning task for finding rare and deviant data samples, with many time-critical applications such as fraud detection and intrusion detection. In this work, we propose TOD, the first tensor-based system for efficient and scalable outlier detection on distributed multi-GPU machines. A key idea behind TOD is decomposing complex OD applications into a small collection of basic tensor algebra operators. This decomposition enables TOD to accelerate OD computations by leveraging recent advances in deep learning infrastructure in both hardware and software. Moreover, to deploy memory-intensive OD applications on modern GPUs with limited on-device memory, we introduce two key techniques. First,provable quantizationspeeds up OD computations and reduces its memory footprint by automatically performing specific floating-point operations in lower precision while provably guaranteeing no accuracy loss. Second, to exploit the aggregated compute resources and memory capacity of multiple GPUs, we introduceautomatic batching, which decomposes OD computations into small batches for both sequential execution on a single GPU and parallel execution across multiple GPUs. TOD supports a diverse set of OD algorithms. Evaluation on 11 real-world and 3 synthetic OD datasets shows that TOD is on average 10.9X faster than the leading CPU-based OD system PyOD (with a maximum speedup of 38.9X), and can handle much larger datasets than existing GPU-based OD systems. In addition, TOD allows easy integration of new OD operators, enabling fast prototyping of emerging and yet-to-discovered OD algorithms.

We present TODS, an automated Time Series Outlier Detection System for research and industrial applications. TODS is a highly modular system that supports easy pipeline construction. The basic building block of TODS is primitive, which is an implementation of a function with hyperparameters. TODS currently supports 70 primitives, including data processing, time series processing, feature analysis, detection algorithms, and a reinforcement module. Users can freely construct a pipeline using these primitives and perform end- to-end outlier detection with the constructed pipeline. TODS provides a Graphical User Interface (GUI), where users can flexibly design a pipeline with drag-and-drop. Moreover, a data-driven searcher is provided to automatically discover the most suitable pipelines given a dataset. TODS is released under Apache 2.0 license at https://github.com/datamllab/tods. A video is available on YouTube (https://youtu.be/JOtYxTclZgQ)

Given an unsupervised outlier detection task on a new dataset, how can we automatically select a good outlier detection algorithm and its hyperparameter(s) (collectively called a model)? In this work, we tackle the unsupervised outlier model selection (UOMS) problem, and propose MetaOD, a principled, data-driven approach to UOMS based on meta-learning. The UOMS problem is notoriously challenging, as compared to model selection for classification and clustering, since (i) model evaluation is infeasible due to the lack of hold-out data with labels, and (ii) model comparison is infeasible due to the lack of a universal objective function. MetaOD capitalizes on the performances of a large body of detection models on historical outlier detection benchmark datasets, and carries over this prior experience to automatically select an effective model to be employed on a new dataset without any labels, model evaluations or model comparisons. To capture task similarity within our meta-learning framework, we introduce specialized meta-features that quantify outlying characteristics of a dataset. Extensive experiments show that selecting a model by MetaOD significantly outperforms no model selection (e.g. always using the same popular model or the ensemble of many) as well as other meta-learning techniques that we tailored for UOMS. Moreover upon (meta-)training, MetaOD is extremely efficient at test time; selecting from a large pool of 300+ models takes less than 1 second for a new task. We open-source MetaOD and our meta-learning database for practical use and to foster further research on the UOMS problem.

Model combination, often regarded as a key sub-field of ensemble learning, has been widely used in both academic research and industry applications. To facilitate this process, we propose and implement an easy-to-use Python toolkit, combo, to aggregate models and scores under various scenarios, including classification, clustering, and anomaly detection. In a nutshell, combo provides a unified and consistent way to combine both raw and pretrained models from popular machine learning libraries, e.g., scikit-learn, XGBoost, and LightGBM. With accessibility and robustness in mind, combo is designed with detailed documentation, interactive examples, continuous integration, code coverage, and maintainability check; it can be installed easily through Python Package Index (PyPI) or {https://github.com/yzhao062/combo}.

Single cell RNA-sequencing (scRNA-seq) technology enables comprehensive transcriptomic profiling of thousands of cells with distinct phenotypic and physiological states in a complex tissue. Substantial efforts have been made to characterize single cells of distinct identities from scRNA-seq data, including various cell clustering techniques. While existing approaches can handle single cells in terms of different cell (sub)types at a high resolution, identification of the functional variability within the same cell type remains unsolved. In addition, there is a lack of robust method to handle the inter-subject variation that often brings severe confounding effects for the functional clustering of single cells. In this study, we developed a novel data denoising and cell clustering approach, namely CIBS, to provide biologically explainable functional classification for scRNA-seq data. CIBS is based on a systems biology model of transcriptional regulation that assumes a multi-modality distribution of the cells' activation status, and it utilizes a Boolean matrix factorization approach on the discretized expression status to robustly derive functional modules. CIBS is empowered by a novel fast Boolean Matrix Factorization method, namely PFAST, to increase the computational feasibility on large scale scRNA-seq data. Application of CIBS on two scRNA-seq datasets collected from cancer tumor micro-environment successfully identified subgroups of cancer cells with distinct expression patterns of epithelial-mesenchymal transition and extracellular matrix marker genes, which was not revealed by the existing cell clustering analysis tools. The identified cell groups were significantly associated with the clinically confirmed lymph-node invasion and metastasis events across different patients.

How can we spot money laundering in large-scale graph-like accounting datasets? How to identify the most suspicious period in a time-evolving accounting graph? What kind of accounts and events should practitioners prioritize under time constraints? To tackle these crucial challenges in accounting and auditing tasks, we propose a flexible system called AutoAudit, which can be valuable for auditors and risk management professionals. To sum up, there are four major advantages of the proposed system: (a) "Smurfing" Detection, spots nearly 100% of injected money laundering transactions automatically in real-world datasets. (b) Attention Routing, attends to the most suspicious part of time-evolving graphs and provides an intuitive interpretation. (c) Insight Discovery, identifies similar month-pair patterns proved by "success stories" and patterns following Power Laws in log-logistic scales. (d) Scalability and Generality, ensures AutoAudit scales linearly and can be easily extended to other real-world graph datasets. Experiments on various real-world datasets illustrate the effectiveness of our method. To facilitate reproducibility and accessibility, we make the code, figure, and results public at https://github.com/mengchillee/AutoAudit.

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.

Convolution neural networks have achieved unprecedented success for image super resolution (SR). However, such methods typically assume a predetermined degradation that deviates from real-world cases, resulting in poor performance frequently. To improve upon this, researchers have proposed various methods to handle super resolution under multiple degradations. Despite, such methods fail to capture an accurate image prior, which is a crucial part of reconstructing image details. In this work, we propose a novel framework called Decoupled Super Resolver (DSR) with both promising performance and applicability. DSR employs a LR Finer to project a degraded image back to its clean version and a Combinational Super Resolver to retrieve a more comprehensive and accurate prior. The latter module further enables DSR to output high-resolution images by combining both image-specific knowledge and external statistics. Extensive experiments under various degradation settings demonstrate the effectiveness of DSR by setting new state-of-the-arts on multiple benchmarks.

Previous attempts at music artist classification use frame level audio features which summarize frequency content within short intervals of time. Comparatively, more recent music information retrieval tasks take advantage of temporal structure in audio spectrograms using deep convolutional and recurrent models. This paper revisits artist classification with this new framework and empirically explores the impacts of incorporating temporal structure in the feature representation. To this end, an established classification architecture, a Convolutional Recurrent Neural Network (CRNN), is applied to the artist20 music artist identification dataset under a comprehensive set of conditions. These include audio clip length, which is a novel contribution in this work, and previously identified considerations such as dataset split and feature level. Our results improve upon baseline works, verify the influence of the producer effect on classification performance and demonstrate the trade-offs between audio length and training set size. The best performing model achieves an average F1 score of 0.937 across three independent trials which is a substantial improvement over the corresponding baseline under similar conditions. Additionally, to showcase the effectiveness of the CRNN's feature extraction capabilities, we visualize audio samples at the model's bottleneck layer demonstrating that learned representations segment into clusters belonging to their respective artists.

In unsupervised outlier ensembles, the absence of ground truth makes the combination of base outlier detectors a challenging task. Specifically, existing parallel outlier ensembles lack a reliable way of selecting competent base detectors, affecting accuracy and stability, during model combination. In this paper, we propose a framework—called Locally Selective Combination in Parallel Outlier Ensembles (LSCP)—which addresses the issue by defining a local region around a test instance using the consensus of its nearest neighbors in randomly selected feature subspaces. The top-performing base detectors in this local region are selected and combined as the model's final output. Four variants of the LSCP framework are compared with seven widely used parallel frameworks. Experimental results demonstrate that one of these variants, LSCP_AOM, consistently outperforms baselines on the majority of twenty real-world datasets.

PyOD is an open-source Python toolbox for performing scalable outlier detection on multivariate data. Uniquely, it provides access to a wide range of outlier detection algorithms, including established outlier ensembles and more recent neural network-based approaches, under a single, well-documented API designed for use by both practitioners and researchers. With robustness and scalability in mind, best practices such as unit testing, continuous integration, code coverage, maintainability checks, interactive examples and parallelization are emphasized as core components in the toolbox's development. PyOD is compatible with both Python 2 and 3 and can be installed through Python Package Index (PyPI) or https://github.com/yzhao062/pyod.

A new semi-supervised ensemble algorithm called XGBOD (Extreme Gradient Boosting Outlier Detection) is proposed, described and demonstrated for the enhanced detection of outliers from normal observations in various practical datasets. The proposed framework combines the strengths of both supervised and unsupervised machine learning methods by creating a hybrid approach that exploits each of their individual performance capabilities in outlier detection. XGBOD uses multiple unsupervised outlier mining algorithms to extract useful representations from the underlying data that augment the predictive capabilities of an embedded supervised classifier on an improved feature space. The novel approach is shown to provide superior performance in comparison to competing individual detectors, the full ensemble and two existing representation learning based algorithms across seven outlier datasets.