Searcharxiv⌕ Search

arXiv subjects

Xintao Wu

Publications and source records attributed to Xintao Wu.

At least 19 recordsLinked to original sources
arXiv2026

StraightDP: Geometry-Aware Differential Privacy for Rectified-Flow Transformers

Differentially private (DP) training of text-conditioned generative models suffers a utility cliff at strong privacy. We revisit this problem through the geometry of rectified flows: along the straight interpolation between noise and data, the Bayes-optimal velocity is governed to leading order at the noise end by a few class-conditional moments, and increasingly sample-specific structure matters toward the data end. StraightDP exploits this heterogeneity end to end. A small budget share releases whitened class-conditional moments once, to be distilled into the weights or injected at sampling time. The rest is spent by pre-declared DP-SGD toward the data end, beyond the moments' reach. At $\varepsilon=1$ on MNIST, the released moments alone already attain $0.76$ downstream accuracy with prototype-like samples and an FID of $237$, and uniform DP-SGD attains $0.21$. The pipeline built on the release reaches $0.81$ accuracy at FID $56$ in a public latent space. Constraining per-token stream norms of the multimodal backbone leaves the pretraining loss unchanged yet improves downstream accuracy in the extreme-noise pixel-space regime, and its accuracy effect becomes monotonically more favorable as privacy strengthens. The released moments also port to frozen SD3-medium, where sampling-time injection beats DP-LoRA training at a fraction of the budget.

cs.LG↗
arXiv2026

BDIP-Net: Dual-Interaction Graph Learning for Property Prediction of Bilayer Materials

Stacked bilayer materials exhibit rich stacking-dependent properties driven by the interplay between strong intra-layer bonding and weak inter-layer van der Waals interactions. The computational discovery of such materials is challenging because accurate structure generation typically relies on expensive DFT-based optimization, while existing machine-learning models often fail to explicitly distinguish different interaction types during property prediction. To address these challenges, we propose a machine-learning framework for efficient construction and property prediction of stacked bilayer materials. The framework employs a MatterSim-D3-based structural optimization workflow to generate DFT-quality bilayer structures from monolayer building blocks and stacking configurations at substantially reduced computational cost. For property prediction, we introduce BDIP-Net (Bilayer Dual-Interaction Potential Network), a graph neural network that explicitly models intra-layer and inter-layer interactions through interaction-specific potential representations and adaptive message fusion. We evaluate the proposed framework on BiDB, HetDB, and SAMBA, encompassing homobilayers, heterobilayers, and twisted bilayer systems. Results show that the MatterSim-D3-based workflow closely reproduces DFT-PBE-D3 optimized structures, while BDIP-Net consistently outperforms existing graph neural network and potential-based approaches for bilayer property prediction.

cs.LG↗
arXiv2026

SAFE-Cascade: Cost-Adaptive Vision-Language Routing for Chart Question Answering

Vision-language models (VLMs) are powerful for chart question answering, but invoking a VLM for every query can be unnecessarily expensive when many questions are answerable from OCR text and lightweight language reasoning. We demonstrate SAFE-Cascade, an interactive system for cost-adaptive chart question answering. Given a chart image and a natural-language question, SAFE-Cascade first extracts chart text with OCR, obtains a provisional answer from a text-only language model, and then uses a learned router to decide whether to accept the text answer or escalate to a VLM. The demo exposes this decision process to users: OCR evidence, text-only answer, routing probability, escalation decision, final answer, estimated cost, and estimated latency are shown side by side. SAFE-Cascade is designed as a transparent interface for understanding when visual grounding is actually needed. Users can upload or select charts, ask questions, inspect the evidence used by each pathway, compare text-only and VLM answers, and adjust the escalation threshold to explore the accuracy-cost frontier. The system is implemented with Azure Document Intelligence for OCR, gpt-5-mini as the text-only model, gemini-2.5-flash-image as the VLM, and a Random Forest router trained on inference-time features. On a held-out ChartQA test split of 375 examples from a 2,500-example experiment, SAFE-Cascade achieves 69.1% unified accuracy with 73.1% VLM invocation, compared with 67.7% accuracy and 100% VLM invocation for the full-VLM baseline. The observed +1.4 percentage-point difference is statistically uncertain, so we interpret SAFE-Cascade as matching full-VLM performance while reducing VLM calls by 26.9% and estimated cost by 9.3%. The demonstration shows how selective modality routing can make multimodal knowledge systems more transparent, tunable, and cost-aware.

cs.IR↗
arXiv2026

Property Prediction of Stacked Bilayer Materials: A Multimodal Learning Approach

AI for materials science is a critical topic within AI for science, aiming to accelerate materials discovery and produce accurate property predictions. Bilayer 2D material stacking is essential for exploring new materials with novel functions and inherent phenomena, enabling the creation of new 2D bilayers for diverse real-world applications. Research on bilayer vdWs materials has made significant progress from experimental and computational perspectives. Various bilayer materials have been successfully synthe sized experimentally and the increasing utilization of high-throughput computing technology has con structed several computational two-dimensional materials databases. However, the use of AI to model bilayer stacking and predict new properties remains underexplored, necessitating further research studies. In this work, we propose a novel multimodal learning approach to study the interfaces between dissimilar materials that jointly enable new or multiple functions, and to predict new properties arising from the vertical integration (stacking) of different functional material layers under given configurations. Comprehensive experiments demonstrate the effectiveness and efficiency of our approach compared to baseline methods. Our code is available at https://github.com/AnVuong123/bimat ml.

cs.AI↗
arXiv2026

Leveraging Foundation Models for Causal Generative Modeling

Causal generative modeling is essential for developing reliable and transparent AI systems capable of counterfactual reasoning. While existing approaches focus on integrating causal constraints during the training of generative models, they often lack a unified framework to leverage the zero-shot reasoning capabilities of pretrained foundation models. We introduce FM-CGM, a modular framework for end-to-end visual causal reasoning using pretrained foundation models. FM-CGM formalizes the causal pipeline through three core components: a concept extractor, a concept manipulator, and a counterfactual generator. By leveraging a large reasoning model for causal inference and a text-to-image diffusion model for generation, our approach enables zero-shot causal discovery, intervention, and counterfactual generation. We then develop Causal Semantic Guidance (CSG), a cross-attention-based mechanism that ensures semantic interventions propagate to descendant concepts while preserving invariant regions. We empirically show that our approach can identify plausible causal structures and is suitable for faithful counterfactual image generation.

cs.LG↗
arXiv2026

Coupled Hierarchical Search over Topology and Execution for Agentic Workflow Synthesis

Although structured workflows empower Large Language Models (LLMs) to tackle complex problems, automating their creation is severely hindered by a vast combinatorial search space, frequently resulting in inflexible and resource-heavy offline training dependencies. To address this, we conceptualize workflow generation as an intertwined topology-and-execution search paradigm, where the broader topological layer dictates subtask boundaries and lower-level execution outcomes actively reshape the topology itself. Building on this foundation, we introduce HierFlow, a training-free, test-time hierarchical search architecture that automates agentic workflow design by merging feedback-guided topology adjustments with a fast, MCTS-inspired tree search for sub-workflow optimization. HierFlow maximizes efficiency through an intelligent gating module that selectively triggers execution-level searches based on contextual necessity, a mechanism we further support with an in-depth analysis detailing how varying degrees of cross-task coupling impact the effectiveness of hierarchical splitting. Comprehensive testing across question answering, mathematical reasoning, and code generation benchmarks confirms that HierFlow consistently outperforms strong baselines, delivering an optimal balance of high-quality results and computational efficiency without any additional training overhead.

cs.AI↗
arXiv2026

MIITA: Memory-Induced Inference-Time Adaptation for Continual Learning with Small Language Models

Continual learning (CL) is essential for small language models (SLMs) to adapt to evolving real-world needs in resource-constrained deployments. However, directly updating their limited parameter space causes catastrophic forgetting. While memory-based methods naturally address this by decoupling knowledge retention from parameters, existing approaches designed for large language models (LLMs) rely on abundant storage and strong in-context reasoning that SLMs lack. To address these challenges, we propose MIITA, a Memory-Induced Inference-Time Adaptation framework for supervised CL under constrained storage. MIITA stores supervised experiences as compact correction-direction prototypes with semantic anchors, and retrieves them at inference time using semantic and uncertainty-based cues. The retrieved directions are applied through gated temporary hidden-state adaptation, enabling non-destructive reuse of past supervision without backbone updates, prompt extensions, or test-time backpropagation. A local theoretical analysis links this design to first-order loss reduction, uncertainty-guided retrieval, and directional coverage for retaining old-stage knowledge. Extensive experiments across diverse supervised CL settings show that MIITA consistently improves final performance and mitigates forgetting under fixed memory budgets.

cs.AI↗
arXiv2026

How Does Differential Privacy Affect Social Bias in LLMs? A Systematic Evaluation

Large language models (LLMs) trained on web-scale corpora can memorize sensitive training data, posing significant privacy risks. Differential privacy (DP) has emerged as a principled framework that limits the influence of individual data points during training, yet the relationship between differential privacy and social bias in LLMs remains poorly understood. To investigate this, we present a systematic evaluation of social bias in a pretrained LLM trained with DP-SGD, comparing a DP model against non-DP baselines across four complementary paradigms: sentence scoring, text completion, tabular classification, and question answering. We find that DP reduces bias in sentence scoring tasks, where bias is measured through controlled likelihood comparisons, yet this improvement does not generalize across all tasks. Our results reveal a discrepancy between logit-level bias and output-level bias. Moreover, decreasing memorization does not necessarily reduce unfairness, underscoring the importance of multi-paradigm evaluation when assessing fairness in LLMs.

cs.CL↗
arXiv2026

LLM-Enhanced Energy Contrastive Learning for Out-of-Distribution Detection in Text-Attributed Graphs

Text-attributed graphs, where nodes are enriched with textual attributes, have become a powerful tool for modeling real-world networks such as citation, social, and transaction networks. However, existing methods for learning from these graphs often assume that the distributions of training and testing data are consistent. This assumption leads to significant performance degradation when faced with out-of-distribution (OOD) data. In this paper, we address the challenge of node-level OOD detection in text-attributed graphs, with the goal of maintaining accurate node classification while simultaneously identifying OOD nodes. We propose a novel approach, LLM-Enhanced Energy Contrastive Learning for Out-of-Distribution Detection in Text-Attributed Graphs (LECT), which integrates large language models (LLMs) and energy-based contrastive learning. The proposed method involves generating high-quality OOD samples by leveraging the semantic understanding and contextual knowledge of LLMs to create dependency-aware pseudo-OOD nodes, and applying contrastive learning based on energy functions to distinguish between in-distribution (IND) and OOD nodes. The effectiveness of our method is demonstrated through extensive experiments on six benchmark datasets, where our method consistently outperforms state-of-the-art baselines, achieving both high classification accuracy and robust OOD detection capabilities.

cs.AI↗
arXiv2026

Histopathology-centered Computational Evolution of Spatial Omics: Integration, Mapping, and Foundation Models

Spatial omics (SO) technologies enable spatially resolved molecular profiling, while hematoxylin and eosin (H&E) imaging remains the gold standard for morphological assessment in clinical pathology. Recent computational advances increasingly place H&E images at the center of SO analysis, bridging morphology with transcriptomic, proteomic, and other spatial molecular modalities, and pushing resolution toward the single-cell level. In this survey, we systematically review the computational evolution of SO from a histopathology-centered perspective and organize existing methods into three paradigms: integration, which jointly models paired multimodal data; mapping, which infers molecular profiles from H&E images; and foundation models, which learn generalizable representations from large-scale spatial datasets. We analyze how the role of H&E images evolves across these paradigms from spatial context to predictive anchor and ultimately to representation backbone in response to practical constraints such as limited paired data and increasing resolution demands. We further summarize actionable modeling directions enabled by current architectures and delineate persistent gaps driven by data, biology, and technology that are unlikely to be resolved by model design alone. Together, this survey provides a histopathology-centered roadmap for developing and applying computational frameworks in SO.

q-bio.GN↗
arXiv2025

Fair In-Context Learning via Latent Concept Variables

The emerging in-context learning (ICL) ability of large language models (LLMs) has prompted their use for predictive tasks in various domains with different data types, including tabular data, facilitated by serialization methods. However, with increasing applications in high-stakes domains, it has been shown that LLMs can inherit social bias and discrimination from their pre-training data. In this work, we investigate inherent bias in LLMs during in-context learning with tabular data. We focus on an optimal demonstration selection approach that utilizes latent concept variables for resource-efficient task adaptation. We design data augmentation strategies that reduce the correlation between predictive outcomes and sensitive variables, helping promote fairness during latent concept learning. We utilize the learned concept to select demonstrations and obtain fair predictions. The latent concept variables are learned using a smaller internal LLM and generalized to larger external LLMs. We empirically verify that the fair latent variable approach improves fairness results on tabular datasets compared to multiple heuristic demonstration selection methods.

cs.LG↗
arXiv2025

Out-of-Distribution Detection with Positive and Negative Prompt Supervision Using Large Language Models

Out-of-distribution (OOD) detection is committed to delineating the classification boundaries between in-distribution (ID) and OOD images. Recent advances in vision-language models (VLMs) have demonstrated remarkable OOD detection performance by integrating both visual and textual modalities. In this context, negative prompts are introduced to emphasize the dissimilarity between image features and prompt content. However, these prompts often include a broad range of non-ID features, which may result in suboptimal outcomes due to the capture of overlapping or misleading information. To address this issue, we propose Positive and Negative Prompt Supervision, which encourages negative prompts to capture inter-class features and transfers this semantic knowledge to the visual modality to enhance OOD detection performance. Our method begins with class-specific positive and negative prompts initialized by large language models (LLMs). These prompts are subsequently optimized, with positive prompts focusing on features within each class, while negative prompts highlight features around category boundaries. Additionally, a graph-based architecture is employed to aggregate semantic-aware supervision from the optimized prompt representations and propagate it to the visual branch, thereby enhancing the performance of the energy-based OOD detector. Extensive experiments on two benchmarks, CIFAR-100 and ImageNet-1K, across eight OOD datasets and five different LLMs, demonstrate that our method outperforms state-of-the-art baselines.

cs.CV↗
arXiv2025

Fine-Tuning Vision-Language Models for Multimodal Polymer Property Prediction

Vision-Language Models (VLMs) have shown strong performance in tasks like visual question answering and multimodal text generation, but their effectiveness in scientific domains such as materials science remains limited. While some machine learning methods have addressed specific challenges in this field, there is still a lack of foundation models designed for broad tasks like polymer property prediction using multimodal data. In this work, we present a multimodal polymer dataset to fine-tune VLMs through instruction-tuning pairs and assess the impact of multimodality on prediction performance. Our fine-tuned models, using LoRA, outperform unimodal and baseline approaches, demonstrating the benefits of multimodal learning. Additionally, this approach reduces the need to train separate models for different properties, lowering deployment and maintenance costs.

cs.LG↗
arXiv2025

AdaptJobRec: Enhancing Conversational Career Recommendation through an LLM-Powered Agentic System

In recent years, recommendation systems have evolved from providing a single list of recommendations to offering a comprehensive suite of topic focused services. To better accomplish this task, conversational recommendation systems (CRS) have progressed from basic retrieval augmented LLM generation to agentic systems with advanced reasoning and self correction capabilities. However, agentic systems come with notable response latency, a longstanding challenge for conversational recommendation systems. To balance the trade off between handling complex queries and minimizing latency, we propose AdaptJobRec, the first conversational job recommendation system that leverages autonomous agent to integrate personalized recommendation algorithm tools. The system employs a user query complexity identification mechanism to minimize response latency. For straightforward queries, the agent directly selects the appropriate tool for rapid responses. For complex queries, the agent uses the memory processing module to filter chat history for relevant content, then passes the results to the intelligent task decomposition planner, and finally executes the tasks using personalized recommendation tools. Evaluation on Walmart's real world career recommendation scenarios demonstrates that AdaptJobRec reduces average response latency by up to 53.3% compared to competitive baselines, while significantly improving recommendation accuracy.

cs.IR↗
arXiv2025

CausalVLBench: Benchmarking Visual Causal Reasoning in Large Vision-Language Models

Large language models (LLMs) have shown remarkable ability in various language tasks, especially with their emergent in-context learning capability. Extending LLMs to incorporate visual inputs, large vision-language models (LVLMs) have shown impressive performance in tasks such as recognition and visual question answering (VQA). Despite increasing interest in the utility of LLMs in causal reasoning tasks such as causal discovery and counterfactual reasoning, there has been relatively little work showcasing the abilities of LVLMs on visual causal reasoning tasks. We take this opportunity to formally introduce a comprehensive causal reasoning benchmark for multi-modal in-context learning from LVLMs. Our CausalVLBench encompasses three representative tasks: causal structure inference, intervention target prediction, and counterfactual prediction. We evaluate the ability of state-of-the-art open-source LVLMs on our causal reasoning tasks across three causal representation learning datasets and demonstrate their fundamental strengths and weaknesses. We hope that our benchmark elucidates the drawbacks of existing vision-language models and motivates new directions and paradigms in improving the visual causal reasoning abilities of LVLMs.

cs.LG↗
arXiv2025

Cross-Modal Attention Guided Unlearning in Vision-Language Models

Vision-Language Models (VLMs) have demonstrated immense capabilities in multi-modal understanding and inference tasks such as Visual Question Answering (VQA), which requires models to infer outputs based on visual and textual context simultaneously. Such inference abilities of large-scale pretrained models are often attributed to the massive scale of pre-training data collected across several domains. However, the models may memorize private and/or sensitive information during training and regurgitate it in inference. Recently, machine unlearning has been leveraged to address the leakage of private data in LLMs. VLMs add a layer of complexity to this process, as the visual context in the query may also contain sensitive information in addition to the text. To address this issue, we explore unlearning for vision-language models, specifically for the VQA task. We explore the role of visual tokens for output generation in VLMs using cross-modal attention and utilize it to formulate Cross-Modal Attention Guided Unlearning (CAGUL), a lightweight and efficient VLM unlearning framework. In contrast to computationally expensive model finetuning methods, CAGUL utilizes external modules to encode unlearning information in visual tokens of low importance for relevant queries. We find that the transformed visual tokens not only prevent leakage but also retain reference model behavior. Experimental results show that our method performs better or on par with finetuning-based baselines without altering the pre-trained model parameters or incurring retraining costs, making it a practical and effective unlearning solution for VLMs.

cs.CV↗
arXiv2025

Face4FairShifts: A Large Image Benchmark for Fairness and Robust Learning across Visual Domains

Ensuring fairness and robustness in machine learning models remains a challenge, particularly under domain shifts. We present Face4FairShifts, a large-scale facial image benchmark designed to systematically evaluate fairness-aware learning and domain generalization. The dataset includes 100,000 images across four visually distinct domains with 39 annotations within 14 attributes covering demographic and facial features. Through extensive experiments, we analyze model performance under distribution shifts and identify significant gaps. Our findings emphasize the limitations of existing related datasets and the need for more effective fairness-aware domain adaptation techniques. Face4FairShifts provides a comprehensive testbed for advancing equitable and reliable AI systems. The dataset is available online at https://meviuslab.github.io/Face4FairShifts/.

cs.CV↗
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.

cs.LG↗