Na Zou

Mingxuan Zhang, Jiahui Han, Dadi Guo et al.

LLM-based agents are rapidly advancing, autonomously invoking external tools to complete multi-step tasks for users. However, agents often acquire more sensitive information than the task requires. Existing privacy benchmarks audit what the agent's response or outgoing actions disclose, but overlook the acquisition stage where data first enters the agent's context. The over-acquired information is then one careless action or one attack away from an outright leak. To assess its prevalence, we introduce \emph{PrivacyPeek}, a benchmark for evaluating acquisition-stage privacy leakage of LLM-based agents, with $1{,}182$ cases across $7$ acquisition behaviours and $16$ application domains. Specifically, \emph{Acquisition Inspection} examines the agent's tool-call trajectory, both the tools it invokes and the data it receives, to detect when it acquires sensitive information beyond the task scope. \emph{Probe Elicitation} then issues a follow-up probe and measures how readily an attacker could elicit sensitive information the agent acquired but did not disclose. Our experiments on 10 LLM-based agents across 4 model families show that the unnecessary acquisition of sensitive information is widespread. In addition, we observe a correlation between the task-completion capability and acquisition-stage leakage. Prompt-level defences reduce only a small fraction of acquisition-stage leakage, leaving the majority unmitigated. These results make auditing acquisition-stage privacy both urgent and necessary. Our dataset and code are available at https://github.com/Xuan269/PrivacyPeek-Resource.

Daochen Zha, Kwei-Herng Lai, Qiaoyu Tan et al.

Imbalanced learning is a fundamental challenge in data mining, where there is a disproportionate ratio of training samples in each class. Over-sampling is an effective technique to tackle imbalanced learning through generating synthetic samples for the minority class. While numerous over-sampling algorithms have been proposed, they heavily rely on heuristics, which could be sub-optimal since we may need different sampling strategies for different datasets and base classifiers, and they cannot directly optimize the performance metric. Motivated by this, we investigate developing a learning-based over-sampling algorithm to optimize the classification performance, which is a challenging task because of the huge and hierarchical decision space. At the high level, we need to decide how many synthetic samples to generate. At the low level, we need to determine where the synthetic samples should be located, which depends on the high-level decision since the optimal locations of the samples may differ for different numbers of samples. To address the challenges, we propose AutoSMOTE, an automated over-sampling algorithm that can jointly optimize different levels of decisions. Motivated by the success of SMOTE~\cite{chawla2002smote} and its extensions, we formulate the generation process as a Markov decision process (MDP) consisting of three levels of policies to generate synthetic samples within the SMOTE search space. Then we leverage deep hierarchical reinforcement learning to optimize the performance metric on the validation data. Extensive experiments on six real-world datasets demonstrate that AutoSMOTE significantly outperforms the state-of-the-art resampling algorithms. The code is at https://github.com/daochenzha/autosmote

Xiaotian Han, Jianfeng Chi, Yu Chen et al.

This paper introduces the Fair Fairness Benchmark (\textsf{FFB}), a benchmarking framework for in-processing group fairness methods. Ensuring fairness in machine learning is important for ethical compliance. However, there exist challenges in comparing and developing fairness methods due to inconsistencies in experimental settings, lack of accessible algorithmic implementations, and limited extensibility of current fairness packages and tools. To address these issues, we introduce an open-source standardized benchmark for evaluating in-processing group fairness methods and provide a comprehensive analysis of state-of-the-art methods to ensure different notions of group fairness. This work offers the following key contributions: the provision of flexible, extensible, minimalistic, and research-oriented open-source code; the establishment of unified fairness method benchmarking pipelines; and extensive benchmarking, which yields key insights from $\mathbf{45,079}$ experiments, $\mathbf{14,428}$ GPU hours. We believe that our work will significantly facilitate the growth and development of the fairness research community.

Zhimeng Jiang, Xiaotian Han, Hongye Jin et al.

Fairness in machine learning has attracted increasing attention in recent years. The fairness methods improving algorithmic fairness for in-distribution data may not perform well under distribution shifts. In this paper, we first theoretically demonstrate the inherent connection between distribution shift, data perturbation, and model weight perturbation. Subsequently, we analyze the sufficient conditions to guarantee fairness (i.e., low demographic parity) for the target dataset, including fairness for the source dataset, and low prediction difference between the source and target datasets for each sensitive attribute group. Motivated by these sufficient conditions, we propose robust fairness regularization (RFR) by considering the worst case within the model weight perturbation ball for each sensitive attribute group. We evaluate the effectiveness of our proposed RFR algorithm on synthetic and real distribution shifts across various datasets. Experimental results demonstrate that RFR achieves better fairness-accuracy trade-off performance compared with several baselines. The source code is available at \url{https://github.com/zhimengj0326/RFR_NeurIPS23}.

Xiaotian Han, Zhimeng Jiang, Hongye Jin et al.

Demographic parity is the most widely recognized measure of group fairness in machine learning, which ensures equal treatment of different demographic groups. Numerous works aim to achieve demographic parity by pursuing the commonly used metric $ΔDP$. Unfortunately, in this paper, we reveal that the fairness metric $ΔDP$ can not precisely measure the violation of demographic parity, because it inherently has the following drawbacks: i) zero-value $ΔDP$ does not guarantee zero violation of demographic parity, ii) $ΔDP$ values can vary with different classification thresholds. To this end, we propose two new fairness metrics, Area Between Probability density function Curves (ABPC) and Area Between Cumulative density function Curves (ABCC), to precisely measure the violation of demographic parity at the distribution level. The new fairness metrics directly measure the difference between the distributions of the prediction probability for different demographic groups. Thus our proposed new metrics enjoy: i) zero-value ABCC/ABPC guarantees zero violation of demographic parity; ii) ABCC/ABPC guarantees demographic parity while the classification thresholds are adjusted. We further re-evaluate the existing fair models with our proposed fairness metrics and observe different fairness behaviors of those models under the new metrics. The code is available at https://github.com/ahxt/new_metric_for_demographic_parity

Hongyi Ling, Zhimeng Jiang, Meng Liu et al.

We study graph data augmentation by mixup, which has been used successfully on images. A key operation of mixup is to compute a convex combination of a pair of inputs. This operation is straightforward for grid-like data, such as images, but challenging for graph data. The key difficulty lies in the fact that different graphs typically have different numbers of nodes, and thus there lacks a node-level correspondence between graphs. In this work, we propose S-Mixup, a simple yet effective mixup method for graph classification by soft alignments. Specifically, given a pair of graphs, we explicitly obtain node-level correspondence via computing a soft assignment matrix to match the nodes between two graphs. Based on the soft assignments, we transform the adjacency and node feature matrices of one graph, so that the transformed graph is aligned with the other graph. In this way, any pair of graphs can be mixed directly to generate an augmented graph. We conduct systematic experiments to show that S-Mixup can improve the performance and generalization of graph neural networks (GNNs) on various graph classification tasks. In addition, we show that S-Mixup can increase the robustness of GNNs against noisy labels.

Mengnan Du, Fengxiang He, Na Zou et al.

Large language models (LLMs) have achieved state-of-the-art performance on a series of natural language understanding tasks. However, these LLMs might rely on dataset bias and artifacts as shortcuts for prediction. This has significantly affected their generalizability and adversarial robustness. In this paper, we provide a review of recent developments that address the shortcut learning and robustness challenge of LLMs. We first introduce the concepts of shortcut learning of language models. We then introduce methods to identify shortcut learning behavior in language models, characterize the reasons for shortcut learning, as well as introduce mitigation solutions. Finally, we discuss key research challenges and potential research directions in order to advance the field of LLMs.

Huiqi Deng, Na Zou, Mengnan Du et al.

Various attribution methods have been developed to explain deep neural networks (DNNs) by inferring the attribution/importance/contribution score of each input variable to the final output. However, existing attribution methods are often built upon different heuristics. There remains a lack of a unified theoretical understanding of why these methods are effective and how they are related. To this end, for the first time, we formulate core mechanisms of fourteen attribution methods, which were designed on different heuristics, into the same mathematical system, i.e., the system of Taylor interactions. Specifically, we prove that attribution scores estimated by fourteen attribution methods can all be reformulated as the weighted sum of two types of effects, i.e., independent effects of each individual input variable and interaction effects between input variables. The essential difference among the fourteen attribution methods mainly lies in the weights of allocating different effects. Based on the above findings, we propose three principles for a fair allocation of effects to evaluate the faithfulness of the fourteen attribution methods.

Sirui Ding, Ruixiang Tang, Daochen Zha et al.

Liver transplant is an essential therapy performed for severe liver diseases. The fact of scarce liver resources makes the organ assigning crucial. Model for End-stage Liver Disease (MELD) score is a widely adopted criterion when making organ distribution decisions. However, it ignores post-transplant outcomes and organ/donor features. These limitations motivate the emergence of machine learning (ML) models. Unfortunately, ML models could be unfair and trigger bias against certain groups of people. To tackle this problem, this work proposes a fair machine learning framework targeting graft failure prediction in liver transplant. Specifically, knowledge distillation is employed to handle dense and sparse features by combining the advantages of tree models and neural networks. A two-step debiasing method is tailored for this framework to enhance fairness. Experiments are conducted to analyze unfairness issues in existing models and demonstrate the superiority of our method in both prediction and fairness performance.

Guanchu Wang, Mengnan Du, Ninghao Liu et al.

Existing work on fairness modeling commonly assumes that sensitive attributes for all instances are fully available, which may not be true in many real-world applications due to the high cost of acquiring sensitive information. When sensitive attributes are not disclosed or available, it is needed to manually annotate a small part of the training data to mitigate bias. However, the skewed distribution across different sensitive groups preserves the skewness of the original dataset in the annotated subset, which leads to non-optimal bias mitigation. To tackle this challenge, we propose Active Penalization Of Discrimination (APOD), an interactive framework to guide the limited annotations towards maximally eliminating the effect of algorithmic bias. The proposed APOD integrates discrimination penalization with active instance selection to efficiently utilize the limited annotation budget, and it is theoretically proved to be capable of bounding the algorithmic bias. According to the evaluation on five benchmark datasets, APOD outperforms the state-of-the-arts baseline methods under the limited annotation budget, and shows comparable performance to fully annotated bias mitigation, which demonstrates that APOD could benefit real-world applications when sensitive information is limited.

Yushun Dong, Binchi Zhang, Zhenyu Lei et al.

Graph Neural Networks (GNNs) have been increasingly deployed in a plethora of applications. However, the graph data used for training may contain sensitive personal information of the involved individuals. Once trained, GNNs typically encode such information in their learnable parameters. As a consequence, privacy leakage may happen when the trained GNNs are deployed and exposed to potential attackers. Facing such a threat, machine unlearning for GNNs has become an emerging technique that aims to remove certain personal information from a trained GNN. Among these techniques, certified unlearning stands out, as it provides a solid theoretical guarantee of the information removal effectiveness. Nevertheless, most of the existing certified unlearning methods for GNNs are only designed to handle node and edge unlearning requests. Meanwhile, these approaches are usually tailored for either a specific design of GNN or a specially designed training objective. These disadvantages significantly jeopardize their flexibility. In this paper, we propose a principled framework named IDEA to achieve flexible and certified unlearning for GNNs. Specifically, we first instantiate four types of unlearning requests on graphs, and then we propose an approximation approach to flexibly handle these unlearning requests over diverse GNNs. We further provide theoretical guarantee of the effectiveness for the proposed approach as a certification. Different from existing alternatives, IDEA is not designed for any specific GNNs or optimization objectives to perform certified unlearning, and thus can be easily generalized. Extensive experiments on real-world datasets demonstrate the superiority of IDEA in multiple key perspectives.

Yanchao Li, Wanhao Liu, Ben Gao et al.

LLM agents now draw on growing skill libraries to handle complex tasks. However, injecting more skills does not always improve task completion and can even degrade it. Existing methods still treat skill injection as a static step, selecting skills with fixed criteria, fixing the budget in advance, and leaving descriptions unchanged. We argue that this static treatment can undermine the utility of skills, because which skills are exposed, how many are included, and how they are presented all affect downstream performance. We propose SkillsInjector, a two-stage adaptive method that jointly addresses these decisions. First, a context planner learns execution-grounded skill preferences and admits an adaptive number of skills for each task. A set-aware renderer then tailors how selected descriptions are presented relative to their co-injected neighbors. Across tau2-bench, SkillsBench, and ALFWorld, SkillsInjector achieves the highest score, improving over the strongest baseline by 3.9, 6.1, and 7.3 percentage points, respectively. Ablation studies show that skill selection, adaptive budgeting, and set-aware rendering each contribute to the gain. These results show that skill-augmented agents benefit from optimizing the injected context itself. Code will be released upon publication

Yushun Dong, Binchi Zhang, Yiling Yuan et al.

Graph Neural Networks (GNNs) have shown satisfying performance on various graph learning tasks. To achieve better fitting capability, most GNNs are with a large number of parameters, which makes these GNNs computationally expensive. Therefore, it is difficult to deploy them onto edge devices with scarce computational resources, e.g., mobile phones and wearable smart devices. Knowledge Distillation (KD) is a common solution to compress GNNs, where a light-weighted model (i.e., the student model) is encouraged to mimic the behavior of a computationally expensive GNN (i.e., the teacher GNN model). Nevertheless, most existing GNN-based KD methods lack fairness consideration. As a consequence, the student model usually inherits and even exaggerates the bias from the teacher GNN. To handle such a problem, we take initial steps towards fair knowledge distillation for GNNs. Specifically, we first formulate a novel problem of fair knowledge distillation for GNN-based teacher-student frameworks. Then we propose a principled framework named RELIANT to mitigate the bias exhibited by the student model. Notably, the design of RELIANT is decoupled from any specific teacher and student model structures, and thus can be easily adapted to various GNN-based KD frameworks. We perform extensive experiments on multiple real-world datasets, which corroborates that RELIANT achieves less biased GNN knowledge distillation while maintaining high prediction utility.

Wei Shi, Ziheng Peng, Sihang Li et al.

LLM agents exhibit a consistent tendency to over-call, invoking tools even in situations where none is needed. On the When2Call benchmark, six models from three families show high call accuracy but much lower no-call accuracy, leaving overall accuracy in the 55%-70% range. We trace this to an Intrinsic Bias Hypothesis (IBH): the call/no-call decision mapping carries an activation-independent call offset, so the model favors call even at activation parity. Using Sparse Autoencoders (SAEs), we recover behavior-aligned feature bases for the call/no_call decision, reduce them to a signed activation margin, and estimate the offset directly. Across all six models, the model is decision-neutral only when no_call activation outweighs call activation, consistent with IBH. We then causally test IBH with Adaptive Margin-Calibrated Steering (AMCS), a closed-form counter-bias shift along SAE decoder directions. Cancelling the diagnosed offset mitigates over-calling and improves overall accuracy with a negligible drop in call accuracy. Our work recasts over-calling from an empirical phenomenon into a mechanistic object amenable to causal correction. Code is available at https://github.com/SKURA502/agent-sae/.

Guanchu Wang, Zirui Liu, Zhimeng Jiang et al.

Activation compressed training provides a solution towards reducing the memory cost of training deep neural networks~(DNNs). However, state-of-the-art work combines a search of quantization bit-width with the training, which makes the procedure complicated and less transparent. To this end, we propose a simple and effective method to compress DNN training. Our method is motivated by an instructive observation: DNN backward propagation mainly utilizes the low-frequency component (LFC) of the activation maps, while the majority of memory is for caching the high-frequency component (HFC) during the training. This indicates the HFC of activation maps is highly redundant and compressible during DNN training, which inspires our proposed Dual Activation Precision (DIVISION). During the training, DIVISION preserves the high-precision copy of LFC and compresses the HFC into a light-weight copy with low numerical precision. This can significantly reduce the memory cost without negatively affecting the precision of backward propagation such that DIVISION maintains competitive model accuracy. Experiment results show DIVISION has better comprehensive performance than state-of-the-art methods, including over 10x compression of activation maps and competitive training throughput, without loss of model accuracy.

Chia-Yuan Chang, Jiayi Yuan, Sirui Ding et al.

Clinical trials are indispensable in developing new treatments, but they face obstacles in patient recruitment and retention, hindering the enrollment of necessary participants. To tackle these challenges, deep learning frameworks have been created to match patients to trials. These frameworks calculate the similarity between patients and clinical trial eligibility criteria, considering the discrepancy between inclusion and exclusion criteria. Recent studies have shown that these frameworks outperform earlier approaches. However, deep learning models may raise fairness issues in patient-trial matching when certain sensitive groups of individuals are underrepresented in clinical trials, leading to incomplete or inaccurate data and potential harm. To tackle the issue of fairness, this work proposes a fair patient-trial matching framework by generating a patient-criterion level fairness constraint. The proposed framework considers the inconsistency between the embedding of inclusion and exclusion criteria among patients of different sensitive groups. The experimental results on real-world patient-trial and patient-criterion matching tasks demonstrate that the proposed framework can successfully alleviate the predictions that tend to be biased.

Chia-Yuan Chang, Yu-Neng Chuang, Guanchu Wang et al.

Domain generalization aims to learn a generalization model that can perform well on unseen test domains by only training on limited source domains. However, existing domain generalization approaches often bring in prediction-irrelevant noise or require the collection of domain labels. To address these challenges, we consider the domain generalization problem from a different perspective by categorizing underlying feature groups into domain-shared and domain-specific features. Nevertheless, the domain-specific features are difficult to be identified and distinguished from the input data. In this work, we propose DomaIn-SPEcific Liberating (DISPEL), a post-processing fine-grained masking approach that can filter out undefined and indistinguishable domain-specific features in the embedding space. Specifically, DISPEL utilizes a mask generator that produces a unique mask for each input data to filter domain-specific features. The DISPEL framework is highly flexible to be applied to any fine-tuned models. We derive a generalization error bound to guarantee the generalization performance by optimizing a designed objective loss. The experimental results on five benchmarks demonstrate DISPEL outperforms existing methods and can further generalize various algorithms.

Yang Sui, Yu-Neng Chuang, Guanchu Wang et al.

Large Language Models (LLMs) have demonstrated remarkable capabilities in complex tasks. Recent advancements in Large Reasoning Models (LRMs), such as OpenAI o1 and DeepSeek-R1, have further improved performance in System-2 reasoning domains like mathematics and programming by harnessing supervised fine-tuning (SFT) and reinforcement learning (RL) techniques to enhance the Chain-of-Thought (CoT) reasoning. However, while longer CoT reasoning sequences improve performance, they also introduce significant computational overhead due to verbose and redundant outputs, known as the "overthinking phenomenon". In this paper, we provide the first structured survey to systematically investigate and explore the current progress toward achieving efficient reasoning in LLMs. Overall, relying on the inherent mechanism of LLMs, we categorize existing works into several key directions: (1) model-based efficient reasoning, which considers optimizing full-length reasoning models into more concise reasoning models or directly training efficient reasoning models; (2) reasoning output-based efficient reasoning, which aims to dynamically reduce reasoning steps and length during inference; (3) input prompts-based efficient reasoning, which seeks to enhance reasoning efficiency based on input prompt properties such as difficulty or length control. Additionally, we introduce the use of efficient data for training reasoning models, explore the reasoning capabilities of small language models, and discuss evaluation methods and benchmarking. Project website: https://github.com/Eclipsess/Awesome-Efficient-Reasoning-LLMs

Yu-Neng Chuang, Kwei-Herng Lai, Ruixiang Tang et al.

Knowledge graph data are prevalent in real-world applications, and knowledge graph neural networks (KGNNs) are essential techniques for knowledge graph representation learning. Although KGNN effectively models the structural information from knowledge graphs, these frameworks amplify the underlying data bias that leads to discrimination towards certain groups or individuals in resulting applications. Additionally, as existing debiasing approaches mainly focus on the entity-wise bias, eliminating the multi-hop relational bias that pervasively exists in knowledge graphs remains an open question. However, it is very challenging to eliminate relational bias due to the sparsity of the paths that generate the bias and the non-linear proximity structure of knowledge graphs. To tackle the challenges, we propose Fair-KGNN, a KGNN framework that simultaneously alleviates multi-hop bias and preserves the proximity information of entity-to-relation in knowledge graphs. The proposed framework is generalizable to mitigate the relational bias for all types of KGNN. We develop two instances of Fair-KGNN incorporating with two state-of-the-art KGNN models, RGCN and CompGCN, to mitigate gender-occupation and nationality-salary bias. The experiments carried out on three benchmark knowledge graph datasets demonstrate that the Fair-KGNN can effectively mitigate unfair situations during representation learning while preserving the predictive performance of KGNN models.

Sirui Ding, Qiaoyu Tan, Chia-yuan Chang et al.

Organ transplant is the essential treatment method for some end-stage diseases, such as liver failure. Analyzing the post-transplant cause of death (CoD) after organ transplant provides a powerful tool for clinical decision making, including personalized treatment and organ allocation. However, traditional methods like Model for End-stage Liver Disease (MELD) score and conventional machine learning (ML) methods are limited in CoD analysis due to two major data and model-related challenges. To address this, we propose a novel framework called CoD-MTL leveraging multi-task learning to model the semantic relationships between various CoD prediction tasks jointly. Specifically, we develop a novel tree distillation strategy for multi-task learning, which combines the strength of both the tree model and multi-task learning. Experimental results are presented to show the precise and reliable CoD predictions of our framework. A case study is conducted to demonstrate the clinical importance of our method in the liver transplant.

Chia-Yuan Chang, Yu-Neng Chuang, Zhimeng Jiang et al.

In real-world applications, machine learning models often become obsolete due to shifts in the joint distribution arising from underlying temporal trends, a phenomenon known as the "concept drift". Existing works propose model-specific strategies to achieve temporal generalization in the near-future domain. However, the diverse characteristics of real-world datasets necessitate customized prediction model architectures. To this end, there is an urgent demand for a model-agnostic temporal domain generalization approach that maintains generality across diverse data modalities and architectures. In this work, we aim to address the concept drift problem from a data-centric perspective to bypass considering the interaction between data and model. Developing such a framework presents non-trivial challenges: (i) existing generative models struggle to generate out-of-distribution future data, and (ii) precisely capturing the temporal trends of joint distribution along chronological source domains is computationally infeasible. To tackle the challenges, we propose the COncept Drift simulAtor (CODA) framework incorporating a predicted feature correlation matrix to simulate future data for model training. Specifically, CODA leverages feature correlations to represent data characteristics at specific time points, thereby circumventing the daunting computational costs. Experimental results demonstrate that using CODA-generated data as training input effectively achieves temporal domain generalization across different model architectures.

Shenghan Zhang, Haoxuan Li, Ruixiang Tang et al.

Detailed phenotype information is fundamental to accurate diagnosis and risk estimation of diseases. As a rich source of phenotype information, electronic health records (EHRs) promise to empower diagnostic variant interpretation. However, how to accurately and efficiently extract phenotypes from the heterogeneous EHR data remains a challenge. In this work, we present PheME, an Ensemble framework using Multi-modality data of structured EHRs and unstructured clinical notes for accurate Phenotype prediction. Firstly, we employ multiple deep neural networks to learn reliable representations from the sparse structured EHR data and redundant clinical notes. A multi-modal model then aligns multi-modal features onto the same latent space to predict phenotypes. Secondly, we leverage ensemble learning to combine outputs from single-modal models and multi-modal models to improve phenotype predictions. We choose seven diseases to evaluate the phenotyping performance of the proposed framework. Experimental results show that using multi-modal data significantly improves phenotype prediction in all diseases, the proposed ensemble learning framework can further boost the performance.

Chia-Yuan Chang, Yu-Neng Chuang, Kwei-Herng Lai et al.

Despite the impressive prediction ability, machine learning models show discrimination towards certain demographics and suffer from unfair prediction behaviors. To alleviate the discrimination, extensive studies focus on eliminating the unequal distribution of sensitive attributes via multiple approaches. However, due to privacy concerns, sensitive attributes are often either unavailable or missing in real-world scenarios. Therefore, several existing works alleviate the bias without sensitive attributes. Those studies face challenges, either in inaccurate predictions of sensitive attributes or the need to mitigate unequal distribution of manually defined non-sensitive attributes related to bias. The latter requires strong assumptions about the correlation between sensitive and non-sensitive attributes. As data distribution and task goals vary, the strong assumption on non-sensitive attributes may not be valid and require domain expertise. In this work, we propose an assumption-free framework to detect the related attributes automatically by modeling feature interaction for bias mitigation. The proposed framework aims to mitigate the unfair impact of identified biased feature interactions. Experimental results on four real-world datasets demonstrate that our proposed framework can significantly alleviate unfair prediction behaviors by considering biased feature interactions.

Zhimeng Jiang, Xiaotian Han, Chao Fan et al.

There has been significant progress in improving the performance of graph neural networks (GNNs) through enhancements in graph data, model architecture design, and training strategies. For fairness in graphs, recent studies achieve fair representations and predictions through either graph data pre-processing (e.g., node feature masking, and topology rewiring) or fair training strategies (e.g., regularization, adversarial debiasing, and fair contrastive learning). How to achieve fairness in graphs from the model architecture perspective is less explored. More importantly, GNNs exhibit worse fairness performance compared to multilayer perception since their model architecture (i.e., neighbor aggregation) amplifies biases. To this end, we aim to achieve fairness via a new GNN architecture. We propose \textsf{F}air \textsf{M}essage \textsf{P}assing (FMP) designed within a unified optimization framework for GNNs. Notably, FMP \textit{explicitly} renders sensitive attribute usage in \textit{forward propagation} for node classification task using cross-entropy loss without data pre-processing. In FMP, the aggregation is first adopted to utilize neighbors' information and then the bias mitigation step explicitly pushes demographic group node presentation centers together. In this way, FMP scheme can aggregate useful information from neighbors and mitigate bias to achieve better fairness and prediction tradeoff performance. Experiments on node classification tasks demonstrate that the proposed FMP outperforms several baselines in terms of fairness and accuracy on three real-world datasets. The code is available in {\url{https://github.com/zhimengj0326/FMP}}.

Yicheng Wang, Xiaotian Han, Leisheng Yu et al.

Parkinson's disease (PD), a neurodegenerative disorder, often manifests as speech and voice dysfunction. While utilizing voice data for PD detection has great potential in clinical applications, the widely used deep learning models currently have fairness issues regarding different ages of onset. These deep models perform well for the elderly group (age $>$ 55) but are less accurate for the young group (age $\leq$ 55). Through our investigation, the discrepancy between the elderly and the young arises due to 1) an imbalanced dataset and 2) the milder symptoms often seen in early-onset patients. However, traditional debiasing methods are impractical as they typically impair the prediction accuracy for the majority group while minimizing the discrepancy. To address this issue, we present a new debiasing method using GradCAM-based feature masking combined with ensemble models, ensuring that neither fairness nor accuracy is compromised. Specifically, the GradCAM-based feature masking selectively obscures age-related features in the input voice data while preserving essential information for PD detection. The ensemble models further improve the prediction accuracy for the minority (young group). Our approach effectively improves detection accuracy for early-onset patients without sacrificing performance for the elderly group. Additionally, we propose a two-step detection strategy for the young group, offering a practical risk assessment for potential early-onset PD patients.

Qizhang Feng, Mengnan Du, Na Zou et al.

The digitization of healthcare data coupled with advances in computational capabilities has propelled the adoption of machine learning (ML) in healthcare. However, these methods can perpetuate or even exacerbate existing disparities, leading to fairness concerns such as the unequal distribution of resources and diagnostic inaccuracies among different demographic groups. Addressing these fairness problem is paramount to prevent further entrenchment of social injustices. In this survey, we analyze the intersection of fairness in machine learning and healthcare disparities. We adopt a framework based on the principles of distributive justice to categorize fairness concerns into two distinct classes: equal allocation and equal performance. We provide a critical review of the associated fairness metrics from a machine learning standpoint and examine biases and mitigation strategies across the stages of the ML lifecycle, discussing the relationship between biases and their countermeasures. The paper concludes with a discussion on the pressing challenges that remain unaddressed in ensuring fairness in healthcare ML, and proposes several new research directions that hold promise for developing ethical and equitable ML applications in healthcare.

Xiaotian Han, Kaixiong Zhou, Ting-Hsiang Wang et al.

In social network, a person located at the periphery region (marginal node) is likely to be treated unfairly when compared with the persons at the center. While existing fairness works on graphs mainly focus on protecting sensitive attributes (e.g., age and gender), the fairness incurred by the graph structure should also be given attention. On the other hand, the information aggregation mechanism of graph neural networks amplifies such structure unfairness, as marginal nodes are often far away from other nodes. In this paper, we focus on novel fairness incurred by the graph structure on graph neural networks, named \emph{structure fairness}. Specifically, we first analyzed multiple graphs and observed that marginal nodes in graphs have a worse performance of downstream tasks than others in graph neural networks. Motivated by the observation, we propose \textbf{S}tructural \textbf{Fair} \textbf{G}raph \textbf{N}eural \textbf{N}etwork (SFairGNN), which combines neighborhood expansion based structure debiasing with hop-aware attentive information aggregation to achieve structure fairness. Our experiments show \SFairGNN can significantly improve structure fairness while maintaining overall performance in the downstream tasks.

Ling Tang, Qian Chen, Jilin Mei et al.

Clinical electroencephalogram (EEG) analysis rests on a hand-crafted feature catalog refined over decades, \emph{e.g.,} band power, connectivity, complexity, and more. Modern EEG foundation models bypass this catalog, learn directly from raw signals via self-supervised pretraining, and match or outperform feature-engineered baselines on most clinical benchmarks. Whether the two representations align is an open question, which we decompose into three sub-questions: \emph{what does the model learn}, \emph{what does the model use}, and \emph{how much can be explained}. We answer them with layer-wise ridge probing, LEACE-style cross-covariance subspace erasure, and a transparent classifier benchmarked against a random-feature baseline. The audit covers three foundation models (CSBrain, CBraMod, LaBraM), five clinical tasks (MDD, Stress, ISRUC-Sleep, TUSL, Siena), and a 6-family 63-feature lexicon. Of the $945$ (model, task, feature) units, $648$ ($68.6\%$) are representation-causal and $199$ ($21.1\%$) are encoded-only. Across tasks, $50$ features qualify as universal candidates with strong support (all three architectures RC) in two or more tasks. Frequency-domain features dominate, but the other five families each contribute substantial causal mass. Confirmed features recover, on average, $79.3\%$ of the foundation model's advantage over the random baseline, with a clean task gradient (MDD $\approx 0.99$ down to Stress $\approx 0.56$): tasks near ceiling are almost fully recovered by the lexicon, while harder tasks leave a non-trivial residual that pinpoints a concrete target for future concept discovery.

Zhimeng Jiang, Zirui Liu, Xiaotian Han et al.

Deep neural networks are ubiquitously adopted in many applications, such as computer vision, natural language processing, and graph analytics. However, well-trained neural networks can make prediction errors after deployment as the world changes. \textit{Model editing} involves updating the base model to correct prediction errors with less accessible training data and computational resources. Despite recent advances in model editors in computer vision and natural language processing, editable training in graph neural networks (GNNs) is rarely explored. The challenge with editable GNN training lies in the inherent information aggregation across neighbors, which can lead model editors to affect the predictions of other nodes unintentionally. In this paper, we first observe the gradient of cross-entropy loss for the target node and training nodes with significant inconsistency, which indicates that directly fine-tuning the base model using the loss on the target node deteriorates the performance on training nodes. Motivated by the gradient inconsistency observation, we propose a simple yet effective \underline{G}radient \underline{R}ewiring method for \underline{E}ditable graph neural network training, named \textbf{GRE}. Specifically, we first store the anchor gradient of the loss on training nodes to preserve the locality. Subsequently, we rewire the gradient of the loss on the target node to preserve performance on the training node using anchor gradient. Experiments demonstrate the effectiveness of GRE on various model architectures and graph datasets in terms of multiple editing situations. The source code is available at \url{https://github.com/zhimengj0326/Gradient_rewiring_editing}

Daochen Zha, Zaid Pervaiz Bhat, Yi-Wei Chen et al.

Action recognition is an important task for video understanding with broad applications. However, developing an effective action recognition solution often requires extensive engineering efforts in building and testing different combinations of the modules and their hyperparameters. In this demo, we present AutoVideo, a Python system for automated video action recognition. AutoVideo is featured for 1) highly modular and extendable infrastructure following the standard pipeline language, 2) an exhaustive list of primitives for pipeline construction, 3) data-driven tuners to save the efforts of pipeline tuning, and 4) easy-to-use Graphical User Interface (GUI). AutoVideo is released under MIT license at https://github.com/datamllab/autovideo

Ruixiang Tang, Mengnan Du, Yuening Li et al.

Image captioning has made substantial progress with huge supporting image collections sourced from the web. However, recent studies have pointed out that captioning datasets, such as COCO, contain gender bias found in web corpora. As a result, learning models could heavily rely on the learned priors and image context for gender identification, leading to incorrect or even offensive errors. To encourage models to learn correct gender features, we reorganize the COCO dataset and present two new splits COCO-GB V1 and V2 datasets where the train and test sets have different gender-context joint distribution. Models relying on contextual cues will suffer from huge gender prediction errors on the anti-stereotypical test data. Benchmarking experiments reveal that most captioning models learn gender bias, leading to high gender prediction errors, especially for women. To alleviate the unwanted bias, we propose a new Guided Attention Image Captioning model (GAIC) which provides self-guidance on visual attention to encourage the model to capture correct gender visual evidence. Experimental results validate that GAIC can significantly reduce gender prediction errors with a competitive caption quality. Our codes and the designed benchmark datasets are available at https://github.com/datamllab/Mitigating_Gender_Bias_In_Captioning_System.

Yuening Li, Daochen Zha, Na Zou et al.

PyODDS is an end-to end Python system for outlier detection with database support. PyODDS provides outlier detection algorithms which meet the demands for users in different fields, w/wo data science or machine learning background. PyODDS gives the ability to execute machine learning algorithms in-database without moving data out of the database server or over the network. It also provides access to a wide range of outlier detection algorithms, including statistical analysis and more recent deep learning based approaches. PyODDS is released under the MIT open-source license, and currently available at (https://github.com/datamllab/pyodds) with official documentations at (https://pyodds.github.io/).

Chia-Yuan Chang, Zhimeng Jiang, Vineeth Rakesh et al.

Large Language Models (LLMs) are becoming essential tools for various natural language processing tasks but often suffer from generating outdated or incorrect information. Retrieval-Augmented Generation (RAG) addresses this issue by incorporating external, real-time information retrieval to ground LLM responses. However, the existing RAG systems frequently struggle with the quality of retrieval documents, as irrelevant or noisy documents degrade performance, increase computational overhead, and undermine response reliability. To tackle this problem, we propose Multi-Agent Filtering Retrieval-Augmented Generation (MAIN-RAG), a training-free RAG framework that leverages multiple LLM agents to collaboratively filter and score retrieved documents. Specifically, MAIN-RAG introduces an adaptive filtering mechanism that dynamically adjusts the relevance filtering threshold based on score distributions, effectively minimizing noise while maintaining high recall of relevant documents. The proposed approach leverages inter-agent consensus to ensure robust document selection without requiring additional training data or fine-tuning. Experimental results across four QA benchmarks demonstrate that MAIN-RAG consistently outperforms traditional RAG approaches, achieving a 2-11% improvement in answer accuracy while reducing the number of irrelevant retrieved documents. Quantitative analysis further reveals that our approach achieves superior response consistency and answer accuracy over baseline methods, offering a competitive and practical alternative to training-based solutions.

Kaituo Zhang, Zhimeng Jiang, Na Zou

Recent breakthroughs in Large Language Models (LLMs) have revealed remarkable generative capabilities and emerging self-regulatory mechanisms, including self-correction and self-rewarding. However, current detoxification techniques rarely exploit these built-in abilities; instead, they rely on external modules, labor-intensive data annotation, or human intervention --factors that hinder scalability and consistency. In this paper, we introduce a fully self-reflective detoxification framework that harnesses the inherent capacities of LLMs to detect, correct toxic content, and refine LLMs without external modules and data annotation. Specifically, we propose a Toxic Signal Detector --an internal self-identification mechanism, coupled with a systematic intervention process to transform toxic text into its non-toxic counterpart. This iterative procedure yields a contrastive detoxification dataset used to fine-tune the model, enhancing its ability for safe and coherent text generation. Experiments on benchmark datasets such as DetoxLLM and ParaDetox show that our method achieves better detoxification performance than state-of-the-art methods while preserving semantic fidelity. By obviating the need for human intervention or external components, this paper reveals the intrinsic self-detoxification ability of LLMs, offering a consistent and effective approach for mitigating harmful content generation. Ultimately, our findings underscore the potential for truly self-regulated language models, paving the way for more responsible and ethically guided text generation systems.

Shaojie Wang, Sirui Ding, Na Zou

Recent advances in large language models (LLMs) have revolutionized natural language processing, yet evaluating their intrinsic linguistic understanding remains challenging. Moving beyond specialized evaluation tasks, we propose an information-theoretic framework grounded in mutual information (MI) to achieve this. We formalize the understanding as MI between an input sentence and its latent representation (sentence-level MI), measuring how effectively input information is preserved in latent representation. Given that LLMs learn embeddings for individual tokens, we decompose sentence-level MI into token-level MI between tokens and sentence embeddings, establishing theoretical bounds connecting these measures. Based on this foundation, we theoretically derive a computable lower bound for token-level MI using Fano's inequality, which directly relates to token-level recoverability-the ability to predict original tokens from sentence embedding. We implement this recoverability task to comparatively measure MI across different LLMs, revealing that encoder-only models consistently maintain higher information fidelity than their decoder-only counterparts, with the latter exhibiting a distinctive late-layer "forgetting" pattern where mutual information is first enhanced and then discarded. Moreover, fine-tuning to maximize token-level recoverability consistently improves understanding ability of LLMs on tasks without task-specific supervision, demonstrating that mutual information can serve as a foundation for understanding and improving language model capabilities.

Kaituo Zhang, Mingzhi Hu, Hoang Anh Duy Le et al.

Large Language Models (LLMs) have emerged as powerful tools for generating data across various modalities. By transforming data from a scarce resource into a controllable asset, LLMs mitigate the bottlenecks imposed by the acquisition costs of real-world data for model training, evaluation, and system iteration. However, ensuring the high quality of LLM-generated synthetic data remains a critical challenge. Existing research primarily focuses on generation methodologies, with limited direct attention to the quality of the resulting data. Furthermore, most studies are restricted to single modalities, lacking a unified perspective across different data types. To bridge this gap, we propose the \textbf{LLM Data Auditor framework}. In this framework, we first describe how LLMs are utilized to generate data across six distinct modalities. More importantly, we systematically categorize intrinsic metrics for evaluating synthetic data from two dimensions: quality and trustworthiness. This approach shifts the focus from extrinsic evaluation, which relies on downstream task performance, to the inherent properties of the data itself. Using this evaluation system, we analyze the experimental evaluations of representative generation methods for each modality and identify substantial deficiencies in current evaluation practices. Based on these findings, we offer concrete recommendations for the community to improve the evaluation of data generation. Finally, the framework outlines methodologies for the practical application of synthetic data across different modalities.

Zhimeng Jiang, Xiaotian Han, Chao Fan et al.

Despite recent advances in achieving fair representations and predictions through regularization, adversarial debiasing, and contrastive learning in graph neural networks (GNNs), the working mechanism (i.e., message passing) behind GNNs inducing unfairness issue remains unknown. In this work, we theoretically and experimentally demonstrate that representative aggregation in message-passing schemes accumulates bias in node representation due to topology bias induced by graph topology. Thus, a \textsf{F}air \textsf{M}essage \textsf{P}assing (FMP) scheme is proposed to aggregate useful information from neighbors but minimize the effect of topology bias in a unified framework considering graph smoothness and fairness objectives. The proposed FMP is effective, transparent, and compatible with back-propagation training. An acceleration approach on gradient calculation is also adopted to improve algorithm efficiency. Experiments on node classification tasks demonstrate that the proposed FMP outperforms the state-of-the-art baselines in effectively and efficiently mitigating bias on three real-world datasets.

Ruixiang Tang, Ninghao Liu, Fan Yang et al.

Explainable machine learning attracts increasing attention as it improves transparency of models, which is helpful for machine learning to be trusted in real applications. However, explanation methods have recently been demonstrated to be vulnerable to manipulation, where we can easily change a model's explanation while keeping its prediction constant. To tackle this problem, some efforts have been paid to use more stable explanation methods or to change model configurations. In this work, we tackle the problem from the training perspective, and propose a new training scheme called Adversarial Training on EXplanations (ATEX) to improve the internal explanation stability of a model regardless of the specific explanation method being applied. Instead of directly specifying explanation values over data instances, ATEX only puts requirement on model predictions which avoids involving second-order derivatives in optimization. As a further discussion, we also find that explanation stability is closely related to another property of the model, i.e., the risk of being exposed to adversarial attack. Through experiments, besides showing that ATEX improves model robustness against manipulation targeting explanation, it also brings additional benefits including smoothing explanations and improving the efficacy of adversarial training if applied to the model.

Mingyang Wan, Daochen Zha, Ninghao Liu et al.

Machine learning models are becoming pervasive in high-stakes applications. Despite their clear benefits in terms of performance, the models could show discrimination against minority groups and result in fairness issues in a decision-making process, leading to severe negative impacts on the individuals and the society. In recent years, various techniques have been developed to mitigate the unfairness for machine learning models. Among them, in-processing methods have drawn increasing attention from the community, where fairness is directly taken into consideration during model design to induce intrinsically fair models and fundamentally mitigate fairness issues in outputs and representations. In this survey, we review the current progress of in-processing fairness mitigation techniques. Based on where the fairness is achieved in the model, we categorize them into explicit and implicit methods, where the former directly incorporates fairness metrics in training objectives, and the latter focuses on refining latent representation learning. Finally, we conclude the survey with a discussion of the research challenges in this community to motivate future exploration.

Huiqi Deng, Na Zou, Mengnan Du et al.

Attribution methods provide an insight into the decision-making process of machine learning models, especially deep neural networks, by assigning contribution scores to each individual feature. However, the attribution problem has not been well-defined, which lacks a unified guideline to the contribution assignment process. Furthermore, existing attribution methods often built upon various empirical intuitions and heuristics. There still lacks a general theoretical framework that not only can offer a good description of the attribution problem, but also can be applied to unifying and revisiting existing attribution methods. To bridge the gap, in this paper, we propose a Taylor attribution framework, which models the attribution problem as how to decide individual payoffs in a coalition. Then, we reformulate fourteen mainstream attribution methods into the Taylor framework and analyze these attribution methods in terms of rationale, fidelity, and limitation in the framework. Moreover, we establish three principles for a good attribution in the Taylor attribution framework, i.e., low approximation error, correct Taylor contribution assignment, and unbiased baseline selection. Finally, we empirically validate the Taylor reformulations and reveal a positive correlation between the attribution performance and the number of principles followed by the attribution method via benchmarking on real-world datasets.

Huiqi Deng, Na Zou, Weifu Chen et al.

Back propagation based visualizations have been proposed to interpret deep neural networks (DNNs), some of which produce interpretations with good visual quality. However, there exist doubts about whether these intuitive visualizations are related to the network decisions. Recent studies have confirmed this suspicion by verifying that almost all these modified back-propagation visualizations are not faithful to the model's decision-making process. Besides, these visualizations produce vague "relative importance scores", among which low values can't guarantee to be independent of the final prediction. Hence, it's highly desirable to develop a novel back-propagation framework that guarantees theoretical faithfulness and produces a quantitative attribution score with a clear understanding. To achieve the goal, we resort to mutual information theory to generate the interpretations, studying how much information of output is encoded in each input neuron. The basic idea is to learn a source signal by back-propagation such that the mutual information between input and output should be as much as possible preserved in the mutual information between input and the source signal. In addition, we propose a Mutual Information Preserving Inverse Network, termed MIP-IN, in which the parameters of each layer are recursively trained to learn how to invert. During the inversion, forward Relu operation is adopted to adapt the general interpretations to the specific input. We then empirically demonstrate that the inverted source signal satisfies completeness and minimality property, which are crucial for a faithful interpretation. Furthermore, the empirical study validates the effectiveness of interpretations generated by MIP-IN.

Huiqi Deng, Na Zou, Mengnan Du et al.

Attribution methods have been developed to understand the decision-making process of machine learning models, especially deep neural networks, by assigning importance scores to individual features. Existing attribution methods often built upon empirical intuitions and heuristics. There still lacks a general and theoretical framework that not only can unify these attribution methods, but also theoretically reveal their rationales, fidelity, and limitations. To bridge the gap, in this paper, we propose a Taylor attribution framework and reformulate seven mainstream attribution methods into the framework. Based on reformulations, we analyze the attribution methods in terms of rationale, fidelity, and limitation. Moreover, We establish three principles for a good attribution in the Taylor attribution framework, i.e., low approximation error, correct contribution assignment, and unbiased baseline selection. Finally, we empirically validate the Taylor reformulations and reveal a positive correlation between the attribution performance and the number of principles followed by the attribution method via benchmarking on real-world datasets.

Yuening Li, Daochen Zha, Praveen Kumar Venugopal et al.

Outlier detection is an important task for various data mining applications. Current outlier detection techniques are often manually designed for specific domains, requiring large human efforts of database setup, algorithm selection, and hyper-parameter tuning. To fill this gap, we present PyODDS, an automated end-to-end Python system for Outlier Detection with Database Support, which automatically optimizes an outlier detection pipeline for a new data source at hand. Specifically, we define the search space in the outlier detection pipeline, and produce a search strategy within the given search space. PyODDS enables end-to-end executions based on an Apache Spark backend server and a light-weight database. It also provides unified interfaces and visualizations for users with or without data science or machine learning background. In particular, we demonstrate PyODDS on several real-world datasets, with quantification analysis and visualization results.

Kaixiong Zhou, Qingquan Song, Xiao Huang et al.

Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to cluster nodes into fixed groups, and generates a coarse-grained structure accompanied with the shrinking of the original graph. However, such clustering would discard some graph information and achieve the suboptimal results. It is because the node inherently has different characteristics or roles, and two non-isomorphic graphs may have the same coarse-grained structure that cannot be distinguished after pooling. To compensate the loss caused by coarse-grained clustering and further advance GNN, we propose a multi-channel graph convolutional networks (MuchGCN). It is motivated by the convolutional neural networks, at which a series of channels are encoded to preserve the comprehensive characteristics of the input image. Thus, we define the specific graph convolutions to learn a series of graph channels at each layer, and pool graphs iteratively to encode the hierarchical structures. Experiments have been carefully carried out to demonstrate the superiority of MuchGCN over the state-of-the-art graph classification algorithms.

Mengnan Du, Fan Yang, Na Zou et al.

Deep learning is increasingly being used in high-stake decision making applications that affect individual lives. However, deep learning models might exhibit algorithmic discrimination behaviors with respect to protected groups, potentially posing negative impacts on individuals and society. Therefore, fairness in deep learning has attracted tremendous attention recently. We provide a review covering recent progresses to tackle algorithmic fairness problems of deep learning from the computational perspective. Specifically, we show that interpretability can serve as a useful ingredient to diagnose the reasons that lead to algorithmic discrimination. We also discuss fairness mitigation approaches categorized according to three stages of deep learning life-cycle, aiming to push forward the area of fairness in deep learning and build genuinely fair and reliable deep learning systems.

Yuening Li, Xiao Huang, Jundong Li et al.

Anomaly detection aims to distinguish observations that are rare and different from the majority. While most existing algorithms assume that instances are i.i.d., in many practical scenarios, links describing instance-to-instance dependencies and interactions are available. Such systems are called attributed networks. Anomaly detection in attributed networks has various applications such as monitoring suspicious accounts in social media and financial fraud in transaction networks. However, it remains a challenging task since the definition of anomaly becomes more complicated and topological structures are heterogeneous with nodal attributes. In this paper, we propose a spectral convolution and deconvolution based framework -- SpecAE, to project the attributed network into a tailored space to detect global and community anomalies. SpecAE leverages Laplacian sharpening to amplify the distances between representations of anomalies and the ones of the majority. The learned representations along with reconstruction errors are combined with a density estimation model to perform the detection. They are trained jointly as an end-to-end framework. Experiments on real-world datasets demonstrate the effectiveness of SpecAE.

Zhengyang Wang, Na Zou, Dinggang Shen et al.

Deep learning has shown its great promise in various biomedical image segmentation tasks. Existing models are typically based on U-Net and rely on an encoder-decoder architecture with stacked local operators to aggregate long-range information gradually. However, only using the local operators limits the efficiency and effectiveness. In this work, we propose the non-local U-Nets, which are equipped with flexible global aggregation blocks, for biomedical image segmentation. These blocks can be inserted into U-Net as size-preserving processes, as well as down-sampling and up-sampling layers. We perform thorough experiments on the 3D multimodality isointense infant brain MR image segmentation task to evaluate the non-local U-Nets. Results show that our proposed models achieve top performances with fewer parameters and faster computation.