arXiv subjects

Xintao Wu

Publications and source records attributed to Xintao Wu.

At least 37 records · Page 2Linked to original sources

arXiv2025

A Survey of AI for Materials Science: Foundation Models, LLM Agents, Datasets, and Tools

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are typically narrow in scope and require task-specific engineering, FMs offer cross-domain generalization and exhibit emergent capabilities. Their versatility is especially well-suited to materials science, where research challenges span diverse data types and scales. This survey provides a comprehensive overview of foundation models, agentic systems, datasets, and computational tools supporting this growing field. We introduce a task-driven taxonomy encompassing six broad application areas: data extraction, interpretation and Q\&A; atomistic simulation; property prediction; materials structure, design and discovery; process planning, discovery, and optimization; and multiscale modeling. We discuss recent advances in both unimodal and multimodal FMs, as well as emerging large language model (LLM) agents. Furthermore, we review standardized datasets, open-source tools, and autonomous experimental platforms that collectively fuel the development and integration of FMs into research workflows. We assess the early successes of foundation models and identify persistent limitations, including challenges in generalizability, interpretability, data imbalance, safety concerns, and limited multimodal fusion. Finally, we articulate future research directions centered on scalable pretraining, continual learning, data governance, and trustworthiness.

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arXiv2025

Detecting and Mitigating Hateful Content in Multimodal Memes with Vision-Language Models

The rapid evolution of social media has provided enhanced communication channels for individuals to create online content, enabling them to express their thoughts and opinions. Multimodal memes, often utilized for playful or humorous expressions with visual and textual elements, are sometimes misused to disseminate hate speech against individuals or groups. While the detection of hateful memes is well-researched, developing effective methods to transform hateful content in memes remains a significant challenge. Leveraging the powerful generation and reasoning capabilities of Vision-Language Models (VLMs), we address the tasks of detecting and mitigating hateful content. This paper presents two key contributions: first, a definition-guided prompting technique for detecting hateful memes, and second, a unified framework for mitigating hateful content in memes, named UnHateMeme, which works by replacing hateful textual and/or visual components. With our definition-guided prompts, VLMs achieve impressive performance on hateful memes detection task. Furthermore, our UnHateMeme framework, integrated with VLMs, demonstrates a strong capability to convert hateful memes into non-hateful forms that meet human-level criteria for hate speech and maintain multimodal coherence between image and text. Through empirical experiments, we show the effectiveness of state-of-the-art pretrained VLMs such as LLaVA, Gemini and GPT-4o on the proposed tasks, providing a comprehensive analysis of their respective strengths and limitations for these tasks. This paper aims to shed light on important applications of VLMs for ensuring safe and respectful online environments.

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arXiv2025

Achieving Distributive Justice in Federated Learning via Uncertainty Quantification

Client-level fairness metrics for federated learning are used to ensure that all clients in a federation either: a) have similar final performance on their local data distributions (i.e., client parity), or b) obtain final performance on their local data distributions relative to their contribution to the federated learning process (i.e., contribution fairness). While a handful of works that propose either client-parity or contribution-based fairness metrics ground their definitions and decisions in social theories of equality -- such as distributive justice -- most works arbitrarily choose what notion of fairness to align with which makes it difficult for practitioners to choose which fairness metric aligns best with their fairness ethics. In this work, we propose UDJ-FL (Uncertainty-based Distributive Justice for Federated Learning), a flexible federated learning framework that can achieve multiple distributive justice-based client-level fairness metrics. Namely, by utilizing techniques inspired by fair resource allocation, in conjunction with performing aleatoric uncertainty-based client weighing, our UDJ-FL framework is able to achieve egalitarian, utilitarian, Rawls' difference principle, or desert-based client-level fairness. We empirically show the ability of UDJ-FL to achieve all four defined distributive justice-based client-level fairness metrics in addition to providing fairness equivalent to (or surpassing) other popular fair federated learning works. Further, we provide justification for why aleatoric uncertainty weighing is necessary to the construction of our UDJ-FL framework as well as derive theoretical guarantees for the generalization bounds of UDJ-FL. Our code is publicly available at https://github.com/alycia-noel/UDJ-FL.

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arXiv2025

A Client-level Assessment of Collaborative Backdoor Poisoning in Non-IID Federated Learning

Federated learning (FL) enables collaborative model training using decentralized private data from multiple clients. While FL has shown robustness against poisoning attacks with basic defenses, our research reveals new vulnerabilities stemming from non-independent and identically distributed (non-IID) data among clients. These vulnerabilities pose a substantial risk of model poisoning in real-world FL scenarios. To demonstrate such vulnerabilities, we develop a novel collaborative backdoor poisoning attack called CollaPois. In this attack, we distribute a single pre-trained model infected with a Trojan to a group of compromised clients. These clients then work together to produce malicious gradients, causing the FL model to consistently converge towards a low-loss region centered around the Trojan-infected model. Consequently, the impact of the Trojan is amplified, especially when the benign clients have diverse local data distributions and scattered local gradients. CollaPois stands out by achieving its goals while involving only a limited number of compromised clients, setting it apart from existing attacks. Also, CollaPois effectively avoids noticeable shifts or degradation in the FL model's performance on legitimate data samples, allowing it to operate stealthily and evade detection by advanced robust FL algorithms. Thorough theoretical analysis and experiments conducted on various benchmark datasets demonstrate the superiority of CollaPois compared to state-of-the-art backdoor attacks. Notably, CollaPois bypasses existing backdoor defenses, especially in scenarios where clients possess diverse data distributions. Moreover, the results show that CollaPois remains effective even when involving a small number of compromised clients. Notably, clients whose local data is closely aligned with compromised clients experience higher risks of backdoor infections.

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arXiv2025

Multi-Modal Foundation Models for Computational Pathology: A Survey

Foundation models have emerged as a powerful paradigm in computational pathology (CPath), enabling scalable and generalizable analysis of histopathological images. While early developments centered on uni-modal models trained solely on visual data, recent advances have highlighted the promise of multi-modal foundation models that integrate heterogeneous data sources such as textual reports, structured domain knowledge, and molecular profiles. In this survey, we provide a comprehensive and up-to-date review of multi-modal foundation models in CPath, with a particular focus on models built upon hematoxylin and eosin (H&E) stained whole slide images (WSIs) and tile-level representations. We categorize 32 state-of-the-art multi-modal foundation models into three major paradigms: vision-language, vision-knowledge graph, and vision-gene expression. We further divide vision-language models into non-LLM-based and LLM-based approaches. Additionally, we analyze 28 available multi-modal datasets tailored for pathology, grouped into image-text pairs, instruction datasets, and image-other modality pairs. Our survey also presents a taxonomy of downstream tasks, highlights training and evaluation strategies, and identifies key challenges and future directions. We aim for this survey to serve as a valuable resource for researchers and practitioners working at the intersection of pathology and AI.

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arXiv2025

A Survey on Computational Pathology Foundation Models: Datasets, Adaptation Strategies, and Evaluation Tasks

Computational pathology foundation models (CPathFMs) have emerged as a powerful approach for analyzing histopathological data, leveraging self-supervised learning to extract robust feature representations from unlabeled whole-slide images. These models, categorized into uni-modal and multi-modal frameworks, have demonstrated promise in automating complex pathology tasks such as segmentation, classification, and biomarker discovery. However, the development of CPathFMs presents significant challenges, such as limited data accessibility, high variability across datasets, the necessity for domain-specific adaptation, and the lack of standardized evaluation benchmarks. This survey provides a comprehensive review of CPathFMs in computational pathology, focusing on datasets, adaptation strategies, and evaluation tasks. We analyze key techniques, such as contrastive learning and multi-modal integration, and highlight existing gaps in current research. Finally, we explore future directions from four perspectives for advancing CPathFMs. This survey serves as a valuable resource for researchers, clinicians, and AI practitioners, guiding the advancement of CPathFMs toward robust and clinically applicable AI-driven pathology solutions.

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arXiv2024

Learning Causally Disentangled Representations via the Principle of Independent Causal Mechanisms

Learning disentangled causal representations is a challenging problem that has gained significant attention recently due to its implications for extracting meaningful information for downstream tasks. In this work, we define a new notion of causal disentanglement from the perspective of independent causal mechanisms. We propose ICM-VAE, a framework for learning causally disentangled representations supervised by causally related observed labels. We model causal mechanisms using nonlinear learnable flow-based diffeomorphic functions to map noise variables to latent causal variables. Further, to promote the disentanglement of causal factors, we propose a causal disentanglement prior learned from auxiliary labels and the latent causal structure. We theoretically show the identifiability of causal factors and mechanisms up to permutation and elementwise reparameterization. We empirically demonstrate that our framework induces highly disentangled causal factors, improves interventional robustness, and is compatible with counterfactual generation.

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arXiv2024

Causal Diffusion Autoencoders: Toward Counterfactual Generation via Diffusion Probabilistic Models

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant research effort to improve image sample quality, there is little work on representation-controlled generation using diffusion models. Specifically, causal modeling and controllable counterfactual generation using DPMs is an underexplored area. In this work, we propose CausalDiffAE, a diffusion-based causal representation learning framework to enable counterfactual generation according to a specified causal model. Our key idea is to use an encoder to extract high-level semantically meaningful causal variables from high-dimensional data and model stochastic variation using reverse diffusion. We propose a causal encoding mechanism that maps high-dimensional data to causally related latent factors and parameterize the causal mechanisms among latent factors using neural networks. To enforce the disentanglement of causal variables, we formulate a variational objective and leverage auxiliary label information in a prior to regularize the latent space. We propose a DDIM-based counterfactual generation procedure subject to do-interventions. Finally, to address the limited label supervision scenario, we also study the application of CausalDiffAE when a part of the training data is unlabeled, which also enables granular control over the strength of interventions in generating counterfactuals during inference. We empirically show that CausalDiffAE learns a disentangled latent space and is capable of generating high-quality counterfactual images.

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arXiv2024

Local Differential Privacy in Graph Neural Networks: a Reconstruction Approach

Graph Neural Networks have achieved tremendous success in modeling complex graph data in a variety of applications. However, there are limited studies investigating privacy protection in GNNs. In this work, we propose a learning framework that can provide node privacy at the user level, while incurring low utility loss. We focus on a decentralized notion of Differential Privacy, namely Local Differential Privacy, and apply randomization mechanisms to perturb both feature and label data at the node level before the data is collected by a central server for model training. Specifically, we investigate the application of randomization mechanisms in high-dimensional feature settings and propose an LDP protocol with strict privacy guarantees. Based on frequency estimation in statistical analysis of randomized data, we develop reconstruction methods to approximate features and labels from perturbed data. We also formulate this learning framework to utilize frequency estimates of graph clusters to supervise the training procedure at a sub-graph level. Extensive experiments on real-world and semi-synthetic datasets demonstrate the validity of our proposed model.

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arXiv2024

Soft Prompting for Unlearning in Large Language Models

The widespread popularity of Large Language Models (LLMs), partly due to their unique ability to perform in-context learning, has also brought to light the importance of ethical and safety considerations when deploying these pre-trained models. In this work, we focus on investigating machine unlearning for LLMs motivated by data protection regulations. In contrast to the growing literature on fine-tuning methods to achieve unlearning, we focus on a comparatively lightweight alternative called soft prompting to realize the unlearning of a subset of training data. With losses designed to enforce forgetting as well as utility preservation, our framework \textbf{S}oft \textbf{P}rompting for \textbf{U}n\textbf{l}earning (SPUL) learns prompt tokens that can be appended to an arbitrary query to induce unlearning of specific examples at inference time without updating LLM parameters. We conduct a rigorous evaluation of the proposed method and our results indicate that SPUL can significantly improve the trade-off between utility and forgetting in the context of text classification and question answering with LLMs. We further validate our method using multiple LLMs to highlight the scalability of our framework and provide detailed insights into the choice of hyperparameters and the influence of the size of unlearning data. Our implementation is available at \url{https://github.com/karuna-bhaila/llm_unlearning}.

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arXiv2024

In-Context Learning Demonstration Selection via Influence Analysis

Large Language Models (LLMs) have showcased their In-Context Learning (ICL) capabilities, enabling few-shot learning without the need for gradient updates. Despite its advantages, the effectiveness of ICL heavily depends on the choice of demonstrations. Selecting the most effective demonstrations for ICL remains a significant research challenge. To tackle this issue, we propose a demonstration selection method named InfICL, which utilizes influence functions to analyze impacts of training samples. By identifying the most influential training samples as demonstrations, InfICL aims to enhance the ICL generalization performance. To keep InfICL cost-effective, we only use the LLM to generate sample input embeddings, avoiding expensive fine-tuning. Through empirical studies on various real-world datasets, we demonstrate advantages of InfICL compared to state-of-the-art baselines.

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arXiv2024

From Identifiable Causal Representations to Controllable Counterfactual Generation: A Survey on Causal Generative Modeling

Deep generative models have shown tremendous capability in data density estimation and data generation from finite samples. While these models have shown impressive performance by learning correlations among features in the data, some fundamental shortcomings are their lack of explainability, tendency to induce spurious correlations, and poor out-of-distribution extrapolation. To remedy such challenges, recent work has proposed a shift toward causal generative models. Causal models offer several beneficial properties to deep generative models, such as distribution shift robustness, fairness, and interpretability. Structural causal models (SCMs) describe data-generating processes and model complex causal relationships and mechanisms among variables in a system. Thus, SCMs can naturally be combined with deep generative models. We provide a technical survey on causal generative modeling categorized into causal representation learning and controllable counterfactual generation methods. We focus on fundamental theory, methodology, drawbacks, datasets, and metrics. Then, we cover applications of causal generative models in fairness, privacy, out-of-distribution generalization, precision medicine, and biological sciences. Lastly, we discuss open problems and fruitful research directions for future work in the field.

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arXiv2024

Algorithmic Fairness Generalization under Covariate and Dependence Shifts Simultaneously

The endeavor to preserve the generalization of a fair and invariant classifier across domains, especially in the presence of distribution shifts, becomes a significant and intricate challenge in machine learning. In response to this challenge, numerous effective algorithms have been developed with a focus on addressing the problem of fairness-aware domain generalization. These algorithms are designed to navigate various types of distribution shifts, with a particular emphasis on covariate and dependence shifts. In this context, covariate shift pertains to changes in the marginal distribution of input features, while dependence shift involves alterations in the joint distribution of the label variable and sensitive attributes. In this paper, we introduce a simple but effective approach that aims to learn a fair and invariant classifier by simultaneously addressing both covariate and dependence shifts across domains. We assert the existence of an underlying transformation model can transform data from one domain to another, while preserving the semantics related to non-sensitive attributes and classes. By augmenting various synthetic data domains through the model, we learn a fair and invariant classifier in source domains. This classifier can then be generalized to unknown target domains, maintaining both model prediction and fairness concerns. Extensive empirical studies on four benchmark datasets demonstrate that our approach surpasses state-of-the-art methods.

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arXiv2024

Robust Influence-based Training Methods for Noisy Brain MRI

Correctly classifying brain tumors is imperative to the prompt and accurate treatment of a patient. While several classification algorithms based on classical image processing or deep learning methods have been proposed to rapidly classify tumors in MR images, most assume the unrealistic setting of noise-free training data. In this work, we study a difficult but realistic setting of training a deep learning model on noisy MR images to classify brain tumors. We propose two training methods that are robust to noisy MRI training data, Influence-based Sample Reweighing (ISR) and Influence-based Sample Perturbation (ISP), which are based on influence functions from robust statistics. Using the influence functions, in ISR, we adaptively reweigh training examples according to how helpful/harmful they are to the training process, while in ISP, we craft and inject helpful perturbation proportional to the influence score. Both ISR and ISP harden the classification model against noisy training data without significantly affecting the generalization ability of the model on test data. We conduct empirical evaluations over a common brain tumor dataset and compare ISR and ISP to three baselines. Our empirical results show that ISR and ISP can efficiently train deep learning models robust against noisy training data.

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arXiv2024

Supervised Algorithmic Fairness in Distribution Shifts: A Survey

Supervised fairness-aware machine learning under distribution shifts is an emerging field that addresses the challenge of maintaining equitable and unbiased predictions when faced with changes in data distributions from source to target domains. In real-world applications, machine learning models are often trained on a specific dataset but deployed in environments where the data distribution may shift over time due to various factors. This shift can lead to unfair predictions, disproportionately affecting certain groups characterized by sensitive attributes, such as race and gender. In this survey, we provide a summary of various types of distribution shifts and comprehensively investigate existing methods based on these shifts, highlighting six commonly used approaches in the literature. Additionally, this survey lists publicly available datasets and evaluation metrics for empirical studies. We further explore the interconnection with related research fields, discuss the significant challenges, and identify potential directions for future studies.

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arXiv2024

Beyond Human Vision: The Role of Large Vision Language Models in Microscope Image Analysis

Vision language models (VLMs) have recently emerged and gained the spotlight for their ability to comprehend the dual modality of image and textual data. VLMs such as LLaVA, ChatGPT-4, and Gemini have recently shown impressive performance on tasks such as natural image captioning, visual question answering (VQA), and spatial reasoning. Additionally, a universal segmentation model by Meta AI, Segment Anything Model (SAM) shows unprecedented performance at isolating objects from unforeseen images. Since medical experts, biologists, and materials scientists routinely examine microscopy or medical images in conjunction with textual information in the form of captions, literature, or reports, and draw conclusions of great importance and merit, it is indubitably essential to test the performance of VLMs and foundation models such as SAM, on these images. In this study, we charge ChatGPT, LLaVA, Gemini, and SAM with classification, segmentation, counting, and VQA tasks on a variety of microscopy images. We observe that ChatGPT and Gemini are impressively able to comprehend the visual features in microscopy images, while SAM is quite capable at isolating artefacts in a general sense. However, the performance is not close to that of a domain expert - the models are readily encumbered by the introduction of impurities, defects, artefact overlaps and diversity present in the images.

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arXiv2024

On Prediction Feature Assignment in the Heckman Selection Model

Under missing-not-at-random (MNAR) sample selection bias, the performance of a prediction model is often degraded. This paper focuses on one classic instance of MNAR sample selection bias where a subset of samples have non-randomly missing outcomes. The Heckman selection model and its variants have commonly been used to handle this type of sample selection bias. The Heckman model uses two separate equations to model the prediction and selection of samples, where the selection features include all prediction features. When using the Heckman model, the prediction features must be properly chosen from the set of selection features. However, choosing the proper prediction features is a challenging task for the Heckman model. This is especially the case when the number of selection features is large. Existing approaches that use the Heckman model often provide a manually chosen set of prediction features. In this paper, we propose Heckman-FA as a novel data-driven framework for obtaining prediction features for the Heckman model. Heckman-FA first trains an assignment function that determines whether or not a selection feature is assigned as a prediction feature. Using the parameters of the trained function, the framework extracts a suitable set of prediction features based on the goodness-of-fit of the prediction model given the chosen prediction features and the correlation between noise terms of the prediction and selection equations. Experimental results on real-world datasets show that Heckman-FA produces a robust regression model under MNAR sample selection bias.

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arXiv2024

Privacy Preserving Prompt Engineering: A Survey

Pre-trained language models (PLMs) have demonstrated significant proficiency in solving a wide range of general natural language processing (NLP) tasks. Researchers have observed a direct correlation between the performance of these models and their sizes. As a result, the sizes of these models have notably expanded in recent years, persuading researchers to adopt the term large language models (LLMs) to characterize the larger-sized PLMs. The size expansion comes with a distinct capability called in-context learning (ICL), which represents a special form of prompting and allows the models to be utilized through the presentation of demonstration examples without modifications to the model parameters. Although interesting, privacy concerns have become a major obstacle in its widespread usage. Multiple studies have examined the privacy risks linked to ICL and prompting in general, and have devised techniques to alleviate these risks. Thus, there is a necessity to organize these mitigation techniques for the benefit of the community. This survey provides a systematic overview of the privacy protection methods employed during ICL and prompting in general. We review, analyze, and compare different methods under this paradigm. Furthermore, we provide a summary of the resources accessible for the development of these frameworks. Finally, we discuss the limitations of these frameworks and offer a detailed examination of the promising areas that necessitate further exploration.

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