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Xuefeng Du

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18 papers

2 author rows

AAAI Conference 2026 Conference Paper

Teach AI What It Doesn’t Know

Xuefeng Du

This talk surveys my research journey toward building reliable machine learning systems that behave safely and predictably in the open world. While modern machine learning models—including foundation models (FMs)—have demonstrated unprecedented capabilities, they often suffer from reliability failures under distribution shift, leading to overconfident mispredictions, hallucinated generations, or susceptibility to adversarial prompts. My research rethinks reliability not as an afterthought, but as a first-class algorithmic principle, to be optimized alongside accuracy with minimal human supervision. The talk is organized around three key threads. To respect the allotted 20-30 minutes, the first and second parts will be briefly discussed. 1. Unknown-Aware Learning via Outlier Synthesis. I introduce a class of learning algorithms that synthesize “virtual outliers” in representation or pixel space to explicitly teach models what they don’t know. This includes the VOS, NPOS, and Dream-OOD frameworks, which shape the energy landscape around in-distribution data to avoid overconfidence on OOD. 2. Learning in the Wild with Unlabeled Data. I present theoretical insights and practical algorithms for leveraging unlabeled in-the-wild data to improve reliability. This includes SAL framework, which uses a gradient-based spectral method to separate potential outliers, and SCONE, which handles semantic and covariate shifts via constrained optimization. These results turn unlabeled data contamination into a learning signal. 3. Reliable Foundation Models. I explore reliability failures in LLMs and multimodal systems. I introduce HaloScope for hallucination detection via subspace separation on LLM representations, and TSV that performs LLM latent steering for improved hallucination detection. I will also briefly cover the LLM security and alignment, which includes VLMGuard for detecting malicious prompts in vision-language models and a data-centric paradigm for AI alignment through source-aware feedback cleaning. Throughout the talk, I highlight how representation learning, data generation, and theoretical guarantees intersect to produce scalable, label-efficient reliability methods. I will also reflect on my broader vision: designing proactive and collaborative AI systems that anticipate uncertainty and support rich human-AI interaction—especially for underrepresented communities and emerging scientific domains. This talk will be accessible to a broad AAAI audience, combining foundational algorithmic insights with real-world applications and forward-looking perspectives on the future of responsible AI.

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NeurIPS Conference 2025 Conference Paper

Limited Preference Data? Learning Better Reward Model with Latent Space Synthesis

Leitian Tao
Xuefeng Du
Sharon Li

Reward modeling, crucial for aligning large language models (LLMs) with human preferences, is often bottlenecked by the high cost of preference data. Existing textual data synthesis methods are computationally expensive. We propose a novel framework LENS for synthesizing preference data directly in the LLM's latent embedding space. Our method employs a Variational Autoencoder (VAE) to learn a structured latent representation of response embeddings. By performing controlled perturbations in this latent space and decoding back to the embedding space, we efficiently generate diverse, semantically consistent synthetic preference pairs, bypassing costly text generation and annotation. We provide theoretical guarantees that our synthesized pairs approximately preserve original preference ordering and improve reward model generalization. Empirically, our latent-space synthesis significantly outperforms text-based augmentation on standard benchmarks, achieving superior results while being 18× faster in generation and using a 16, 000× smaller model. Our work offers a scalable and effective alternative for enhancing reward modeling through efficient data augmentation. Code is publicly available at https: //github. com/deeplearning-wisc/lens.

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TMLR Journal 2025 Journal Article

Out-of-Distribution Learning with Human Feedback

Haoyue Bai
Xuefeng Du
Katie Rainey
Shibin Parameswaran
Yixuan Li

Out-of-distribution (OOD) learning often relies on strong statistical assumptions or predefined OOD data distributions, limiting its effectiveness in real-world deployment for both OOD generalization and detection, especially when human inspection is minimal. This paper introduces a novel framework for OOD learning that integrates human feedback to enhance model adaptation and reliability. Our approach leverages freely available unlabeled data in the wild, which naturally captures environmental test-time OOD distributions under both covariate and semantic shifts. To effectively utilize such data, we propose selectively acquiring human feedback to label a small subset of informative samples. These labeled samples are then used to train both a multi-class classifier and an OOD detector. By incorporating human feedback, our method significantly improves model robustness and precision in handling OOD scenarios. We provide theoretical insights by establishing generalization error bounds for our algorithm. Extensive experiments demonstrate that our approach outperforms state-of-the-art methods by a significant margin. Code is publicly available at https://github.com/HaoyueBaiZJU/ood-hf.

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ICML Conference 2025 Conference Paper

Steer LLM Latents for Hallucination Detection

Seongheon Park
Xuefeng Du
Min-Hsuan Yeh
Haobo Wang 0001
Yixuan Li 0001

Hallucinations in LLMs pose a significant concern to their safe deployment in real-world applications. Recent approaches have leveraged the latent space of LLMs for hallucination detection, but their embeddings, optimized for linguistic coherence rather than factual accuracy, often fail to clearly separate truthful and hallucinated content. To this end, we propose the T ruthfulness S eparator V ector ( TSV ), a lightweight and flexible steering vector that reshapes the LLM’s representation space during inference to enhance the separation between truthful and hallucinated outputs, without altering model parameters. Our two-stage framework first trains TSV on a small set of labeled exemplars to form compact and well-separated clusters. It then augments the exemplar set with unlabeled LLM generations, employing an optimal transport-based algorithm for pseudo-labeling combined with a confidence-based filtering process. Extensive experiments demonstrate that TSV achieves state-of-the-art performance with minimal labeled data, exhibiting strong generalization across datasets and providing a practical solution for real-world LLM applications.

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ICML Conference 2025 Conference Paper

Understanding Multimodal LLMs Under Distribution Shifts: An Information-Theoretic Approach

Changdae Oh
Zhen Fang 0001
Shawn Im
Xuefeng Du
Yixuan Li 0001

Multimodal large language models (MLLMs) have shown promising capabilities but struggle under distribution shifts, where evaluation data differ from instruction tuning distributions. Although previous works have provided empirical evaluations, we argue that establishing a formal framework that can characterize and quantify the risk of MLLMs is necessary to ensure the safe and reliable application of MLLMs in the real world. By taking an information-theoretic perspective, we propose the first theoretical framework that enables the quantification of the maximum risk of MLLMs under distribution shifts. Central to our framework is the introduction of Effective Mutual Information (EMI), a principled metric that quantifies the relevance between input queries and model responses. We derive an upper bound for the EMI difference between in-distribution (ID) and out-of-distribution (OOD) data, connecting it to visual and textual distributional discrepancies. Extensive experiments on real benchmark datasets, spanning 61 shift scenarios, empirically validate our theoretical insights.

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NeurIPS Conference 2024 Conference Paper

HaloScope: Harnessing Unlabeled LLM Generations for Hallucination Detection

Xuefeng Du
Chaowei Xiao
Yixuan Li

The surge in applications of large language models (LLMs) has prompted concerns about the generation of misleading or fabricated information, known as hallucinations. Therefore, detecting hallucinations has become critical to maintaining trust in LLM-generated content. A primary challenge in learning a truthfulness classifier is the lack of a large amount of labeled truthful and hallucinated data. To address the challenge, we introduce HaloScope, a novel learning framework that leverages the unlabeled LLM generations in the wild for hallucination detection. Such unlabeled data arises freely upon deploying LLMs in the open world, and consists of both truthful and hallucinated information. To harness the unlabeled data, we present an automated scoring function for distinguishing between truthful and untruthful generations within unlabeled mixture data, thereby enabling the training of a binary classifier on top. Importantly, our framework does not require extra data collection and human annotations, offering strong flexibility and practicality for real-world applications. Extensive experiments show that HaloScope can achieve superior hallucination detection performance, outperforming the competitive rivals by a significant margin.

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ICLR Conference 2024 Conference Paper

How Does Unlabeled Data Provably Help Out-of-Distribution Detection?

Xuefeng Du
Zhen Fang 0001
Ilias Diakonikolas
Yixuan Li 0001

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.

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ICML Conference 2024 Conference Paper

When and How Does In-Distribution Label Help Out-of-Distribution Detection?

Xuefeng Du
Yiyou Sun
Yixuan Li 0001

Detecting data points deviating from the training distribution is pivotal for ensuring reliable machine learning. Extensive research has been dedicated to the challenge, spanning classical anomaly detection techniques to contemporary out-of-distribution (OOD) detection approaches. While OOD detection commonly relies on supervised learning from a labeled in-distribution (ID) dataset, anomaly detection may treat the entire ID data as a single class and disregard ID labels. This fundamental distinction raises a significant question that has yet to be rigorously explored: when and how does ID label help OOD detection? This paper bridges this gap by offering a formal understanding to theoretically delineate the impact of ID labels on OOD detection. We employ a graph-theoretic approach, rigorously analyzing the separability of ID data from OOD data in a closed-form manner. Key to our approach is the characterization of data representations through spectral decomposition on the graph. Leveraging these representations, we establish a provable error bound that compares the OOD detection performance with and without ID labels, unveiling conditions for achieving enhanced OOD detection. Lastly, we present empirical results on both simulated and real datasets, validating theoretical guarantees and reinforcing our insights.

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NeurIPS Conference 2023 Conference Paper

Dream the Impossible: Outlier Imagination with Diffusion Models

Xuefeng Du
Yiyou Sun
Jerry Zhu
Yixuan Li

Utilizing auxiliary outlier datasets to regularize the machine learning model has demonstrated promise for out-of-distribution (OOD) detection and safe prediction. Due to the labor intensity in data collection and cleaning, automating outlier data generation has been a long-desired alternative. Despite the appeal, generating photo-realistic outliers in the high dimensional pixel space has been an open challenge for the field. To tackle the problem, this paper proposes a new framework Dream-OOD, which enables imagining photo-realistic outliers by way of diffusion models, provided with only the in-distribution (ID) data and classes. Specifically, Dream-OOD learns a text-conditioned latent space based on ID data, and then samples outliers in the low-likelihood region via the latent, which can be decoded into images by the diffusion model. Different from prior works [16, 95], Dream-OOD enables visualizing and understanding the imagined outliers, directly in the pixel space. We conduct comprehensive quantitative and qualitative studies to understand the efficacy of Dream-OOD, and show that training with the samples generated by Dream-OOD can significantly benefit OOD detection performance.

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ICML Conference 2023 Conference Paper

Feed Two Birds with One Scone: Exploiting Wild Data for Both Out-of-Distribution Generalization and Detection

Haoyue Bai 0001
Gregory Canal
Xuefeng Du
Jeongyeol Kwon
Robert D. Nowak
Yixuan Li 0001

Modern machine learning models deployed in the wild can encounter both covariate and semantic shifts, giving rise to the problems of out-of-distribution (OOD) generalization and OOD detection respectively. While both problems have received significant research attention lately, they have been pursued independently. This may not be surprising, since the two tasks have seemingly conflicting goals. This paper provides a new unified approach that is capable of simultaneously generalizing to covariate shifts while robustly detecting semantic shifts. We propose a margin-based learning framework that exploits freely available unlabeled data in the wild that captures the environmental test-time OOD distributions under both covariate and semantic shifts. We show both empirically and theoretically that the proposed margin constraint is the key to achieving both OOD generalization and detection. Extensive experiments show the superiority of our framework, outperforming competitive baselines that specialize in either OOD generalization or OOD detection. Code is publicly available at https: //github. com/deeplearning-wisc/scone.

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TMLR Journal 2023 Journal Article

Noise-robust Graph Learning by Estimating and Leveraging Pairwise Interactions

Xuefeng Du
Tian Bian
Yu Rong
Bo Han
Tongliang Liu
Tingyang Xu
Wenbing Huang
Yixuan Li

Teaching Graph Neural Networks (GNNs) to accurately classify nodes under severely noisy labels is an important problem in real-world graph learning applications, but is currently underexplored. Although pairwise training methods have demonstrated promise in supervised metric learning and unsupervised contrastive learning, they remain less studied on noisy graphs, where the structural pairwise interactions (PI) between nodes are abundant and thus might benefit label noise learning rather than the pointwise methods. This paper bridges the gap by proposing a pairwise framework for noisy node classification on graphs, which relies on the PI as a primary learning proxy in addition to the pointwise learning from the noisy node class labels. Our proposed framework PI-GNN contributes two novel components: (1) a confidence-aware PI estimation model that adaptively estimates the PI labels, which are defined as whether the two nodes share the same node labels, and (2) a decoupled training approach that leverages the estimated PI labels to regularize a node classification model for robust node classification. Extensive experiments on different datasets and GNN architectures demonstrate the effectiveness of PI-GNN, yielding a promising improvement over the state-of-the-art methods. Code is publicly available at https://github.com/TianBian95/pi-gnn.

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ICLR Conference 2023 Conference Paper

Non-parametric Outlier Synthesis

Leitian Tao
Xuefeng Du
Jerry Zhu
Yixuan Li 0001

Out-of-distribution (OOD) detection is indispensable for safely deploying machine learning models in the wild. One of the key challenges is that models lack supervision signals from unknown data, and as a result, can produce overconfident predictions on OOD data. Recent work on outlier synthesis modeled the feature space as parametric Gaussian distribution, a strong and restrictive assumption that might not hold in reality. In this paper, we propose a novel framework, non-parametric outlier synthesis (NPOS), which generates artificial OOD training data and facilitates learning a reliable decision boundary between ID and OOD data. Importantly, our proposed synthesis approach does not make any distributional assumption on the ID embeddings, thereby offering strong flexibility and generality. We show that our synthesis approach can be mathematically interpreted as a rejection sampling framework. Extensive experiments show that NPOS can achieve superior OOD detection performance, outperforming the competitive rivals by a significant margin. Code is publicly available at https://github.com/deeplearning-wisc/npos.

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NeurIPS Conference 2022 Conference Paper

OpenOOD: Benchmarking Generalized Out-of-Distribution Detection

Jingkang Yang
Pengyun Wang
Dejian Zou
Zitang Zhou
Kunyuan Ding
Wenxuan Peng
Haoqi Wang
Guangyao Chen

Out-of-distribution (OOD) detection is vital to safety-critical machine learning applications and has thus been extensively studied, with a plethora of methods developed in the literature. However, the field currently lacks a unified, strictly formulated, and comprehensive benchmark, which often results in unfair comparisons and inconclusive results. From the problem setting perspective, OOD detection is closely related to neighboring fields including anomaly detection (AD), open set recognition (OSR), and model uncertainty, since methods developed for one domain are often applicable to each other. To help the community to improve the evaluation and advance, we build a unified, well-structured codebase called OpenOOD, which implements over 30 methods developed in relevant fields and provides a comprehensive benchmark under the recently proposed generalized OOD detection framework. With a comprehensive comparison of these methods, we are gratified that the field has progressed significantly over the past few years, where both preprocessing methods and the orthogonal post-hoc methods show strong potential.

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NeurIPS Conference 2022 Conference Paper

SIREN: Shaping Representations for Detecting Out-of-Distribution Objects

Xuefeng Du
Gabriel Gozum
Yifei Ming
Yixuan Li

Detecting out-of-distribution (OOD) objects is indispensable for safely deploying object detectors in the wild. Although distance-based OOD detection methods have demonstrated promise in image classification, they remain largely unexplored in object-level OOD detection. This paper bridges the gap by proposing a distance-based framework for detecting OOD objects, which relies on the model-agnostic representation space and provides strong generality across different neural architectures. Our proposed framework SIREN contributes two novel components: (1) a representation learning component that uses a trainable loss function to shape the representations into a mixture of von Mises-Fisher (vMF) distributions on the unit hypersphere, and (2) a test-time OOD detection score leveraging the learned vMF distributions in a parametric or non-parametric way. SIREN achieves competitive performance on both the recent detection transformers and CNN-based models, improving the AUROC by a large margin compared to the previous best method. Code is publicly available at https: //github. com/deeplearning-wisc/siren.

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ICLR Conference 2022 Conference Paper

VOS: Learning What You Don't Know by Virtual Outlier Synthesis

Xuefeng Du
Zhaoning Wang
Mu Cai
Yixuan Li 0001

Out-of-distribution (OOD) detection has received much attention lately due to its importance in the safe deployment of neural networks. One of the key challenges is that models lack supervision signals from unknown data, and as a result, can produce overconfident predictions on OOD data. Previous approaches rely on real outlier datasets for model regularization, which can be costly and sometimes infeasible to obtain in practice. In this paper, we present VOS, a novel framework for OOD detection by adaptively synthesizing virtual outliers that can meaningfully regularize the model's decision boundary during training. Specifically, VOS samples virtual outliers from the low-likelihood region of the class-conditional distribution estimated in the feature space. Alongside, we introduce a novel unknown-aware training objective, which contrastively shapes the uncertainty space between the ID data and synthesized outlier data. VOS achieves competitive performance on both object detection and image classification models, reducing the FPR95 by up to 9.36% compared to the previous best method on object detectors. Code is available at https://github.com/deeplearning-wisc/vos.

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AAAI Conference 2021 Conference Paper

How to Save your Annotation Cost for Panoptic Segmentation?

Xuefeng Du
ChenHan Jiang
Hang Xu
Gengwei Zhang
Zhenguo Li

How to properly reduce the annotation cost for panoptic segmentation? How to leverage and optimize the cost-quality trade-off for training data and model? These questions are key challenges towards a label-efficient and scalable panoptic segmentation system due to its expensive instance/semantic pixel-level annotation requirements. By closely examining different kinds of cheaper labels, we introduce a novel multiobjective framework to automatically determine the allocation of different annotations, so as to reach a better segmentation quality with a lower annotation cost. Specifically, we design a Cost-Quality Balanced Network (CQB-Net) to generate the panoptic segmentation map, which distills the crucial relations between various supervisions including panoptic labels, image-level classification labels, bounding boxes, and the semantic coherence information between the foreground and background. Instead of ad-hoc allocation during training, we formulate the optimization of cost-quality trade-off as a Multi-Objective Optimization Problem (MOOP). We model the marginal quality improvement of each annotation and approximate the Pareto-front to enable a label-efficient allocation ratio. Extensive experiments on COCO benchmark show the superiority of our method, e. g. achieving a segmentation quality of 43. 4% compared to 43. 0% of OCFusion while saving 2. 4x annotation cost.

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ICML Conference 2021 Conference Paper

Learning Diverse-Structured Networks for Adversarial Robustness

Xuefeng Du
Jingfeng Zhang
Bo Han 0003
Tongliang Liu
Yu Rong 0001
Gang Niu 0001
Junzhou Huang
Masashi Sugiyama

In adversarial training (AT), the main focus has been the objective and optimizer while the model has been less studied, so that the models being used are still those classic ones in standard training (ST). Classic network architectures (NAs) are generally worse than searched NA in ST, which should be the same in AT. In this paper, we argue that NA and AT cannot be handled independently, since given a dataset, the optimal NA in ST would be no longer optimal in AT. That being said, AT is time-consuming itself; if we directly search NAs in AT over large search spaces, the computation will be practically infeasible. Thus, we propose diverse-structured network (DS-Net), to significantly reduce the size of the search space: instead of low-level operations, we only consider predefined atomic blocks, where an atomic block is a time-tested building block like the residual block. There are only a few atomic blocks and thus we can weight all atomic blocks rather than find the best one in a searched block of DS-Net, which is an essential tradeoff between exploring diverse structures and exploiting the best structures. Empirical results demonstrate the advantages of DS-Net, i. e. , weighting the atomic blocks.

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NeurIPS Conference 2020 Conference Paper

Node Classification on Graphs with Few-Shot Novel Labels via Meta Transformed Network Embedding

Lin Lan
Pinghui Wang
Xuefeng Du
Kaikai Song
Jing Tao
Xiaohong Guan

We study the problem of node classification on graphs with few-shot novel labels, which has two distinctive properties: (1) There are novel labels to emerge in the graph; (2) The novel labels have only a few representative nodes for training a classifier. The study of this problem is instructive and corresponds to many applications such as recommendations for newly formed groups with only a few users in online social networks. To cope with this problem, we propose a novel Meta Transformed Network Embedding framework (MetaTNE), which consists of three modules: (1) A \emph{structural module} provides each node a latent representation according to the graph structure. (2) A \emph{meta-learning module} captures the relationships between the graph structure and the node labels as prior knowledge in a meta-learning manner. Additionally, we introduce an \emph{embedding transformation function} that remedies the deficiency of the straightforward use of meta-learning. Inherently, the meta-learned prior knowledge can be used to facilitate the learning of few-shot novel labels. (3) An \emph{optimization module} employs a simple yet effective scheduling strategy to train the above two modules with a balance between graph structure learning and meta-learning. Experiments on four real-world datasets show that MetaTNE brings a huge improvement over the state-of-the-art methods.

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