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Researcher profile

Pengtao Xie

Pengtao Xie contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Machine LearningComputation and LanguageComputer VisionArtificial Intelligenceeess.IVCryptography and SecurityInformation Retrieval

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Published work

21 published item(s)

preprint2026arXiv

BioTool: A Comprehensive Tool-Calling Dataset for Enhancing Biomedical Capabilities of Large Language Models

Despite the success of large language models (LLMs) on general-purpose tasks, their performance in highly specialized domains such as biomedicine remains unsatisfactory. A key limitation is the inability of LLMs to effectively leverage biomedical tools, which clinical experts and biomedical researchers rely on extensively in daily workflows. While recent general-domain tool-calling datasets have substantially improved the capabilities of LLM agents, existing efforts in the biomedical domain largely rely on in-context learning and restrict models to a small set of tools. To address this gap, we introduce BioTool, a comprehensive biomedical tool-calling dataset designed for fine-tuning LLMs. BioTool comprises 34 frequently used tools collected from the NCBI, Ensembl, and UniProt databases, along with 7,040 high-quality, human-verified query-API call pairs spanning variation, genomics, proteomics, evolution, and general biology. Fine-tuning a 4-billion-parameter LLM on BioTool yields substantial improvements in biomedical tool-calling performance, outperforming cutting-edge commercial LLMs such as GPT-5.1. Furthermore, human expert evaluations demonstrate that integrating a BioTool-fine-tuned tool caller significantly improves downstream answer quality compared to the same LLM without tool usage, highlighting the effectiveness of BioTool in enhancing the biomedical capabilities of LLMs. The full dataset and evaluation code are available at https://github.com/gxx27/BioTool

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

LLMs Know When They Know, but Do Not Act on It: A Metacognitive Harness for Test-time Scaling

Large language models (LLMs) often expose useful signals of self-monitoring: before solving a problem, they can estimate whether they are likely to succeed, and after solving it, they can judge whether their answer is likely to be correct. However, these signals are typically measured or elicited in isolation, rather than used to control inference. In this work, we ask whether LLMs possess latent metacognitive ability that can be turned into effective test-time control. Inspired by the Nelson--Narens theory from cognitive psychology, we propose a metacognitive harness that separates monitoring from reasoning. For each problem, the model first reports a pre-solve feeling-of-knowing (FOK) signal; after each solve attempt, it reports a post-solve judgment-of-learning (JOL) signal. Rather than treating these signals as passive confidence estimates, the harness turns them into an explicit control interface for reasoning: it decides when to trust the current solution, when to retry with compact metacognitive feedback, and when to pass multiple attempts to a final aggregator. Across text, code, and multimodal reasoning benchmarks, our harness substantially improves a fixed Claude Sonnet-4.6 base model without parameter updates or benchmark-specific fine-tuning. On the evaluated public benchmark snapshots, it raises pooled accuracy from 48.3 to 56.9 and exceeds the strongest listed leaderboard entries on the three primary evaluation settings: HLE-Verified, LiveCodeBench v6, and R-Bench-V. These results suggest that strong LLMs may already possess useful metacognitive ability, but require an explicit control harness to act on it during reasoning.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

SteganoBackdoor: Stealthy and Data-Efficient Backdoor Attacks on Language Models

Modern language models remain vulnerable to backdoor attacks via poisoned data, where training inputs containing a trigger are paired with a target output, causing the model to reproduce that behavior whenever the trigger appears at inference time. Recent work has emphasized stealthy attacks that stress-test data-curation defenses using stylized artifacts or token-level perturbations as triggers, but this focus leaves a more practically relevant threat model underexplored: backdoors tied to naturally occurring semantic concepts. We introduce SteganoBackdoor, an optimization-based framework that constructs SteganoPoisons, steganographic poisoned training examples in which a backdoor payload is distributed across a fluent sentence while exhibiting no representational overlap with the inference-time semantic trigger. Across diverse model architectures, SteganoBackdoor achieves high attack success under constrained poisoning budgets and remains effective under conservative data-level filtering, highlighting a blind spot in existing data-curation defenses.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

DRG-Net: Interactive Joint Learning of Multi-lesion Segmentation and Classification for Diabetic Retinopathy Grading

Diabetic Retinopathy (DR) is a leading cause of vision loss in the world, and early DR detection is necessary to prevent vision loss and support an appropriate treatment. In this work, we leverage interactive machine learning and introduce a joint learning framework, termed DRG-Net, to effectively learn both disease grading and multi-lesion segmentation. Our DRG-Net consists of two modules: (i) DRG-AI-System to classify DR Grading, localize lesion areas, and provide visual explanations; (ii) DRG-Expert-Interaction to receive feedback from user-expert and improve the DRG-AI-System. To deal with sparse data, we utilize transfer learning mechanisms to extract invariant feature representations by using Wasserstein distance and adversarial learning-based entropy minimization. Besides, we propose a novel attention strategy at both low- and high-level features to automatically select the most significant lesion information and provide explainable properties. In terms of human interaction, we further develop DRG-Net as a tool that enables expert users to correct the system's predictions, which may then be used to update the system as a whole. Moreover, thanks to the attention mechanism and loss functions constraint between lesion features and classification features, our approach can be robust given a certain level of noise in the feedback of users. We have benchmarked DRG-Net on the two largest DR datasets, i.e., IDRID and FGADR, and compared it to various state-of-the-art deep learning networks. In addition to outperforming other SOTA approaches, DRG-Net is effectively updated using user feedback, even in a weakly-supervised manner.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Learning from Mistakes -- A Framework for Neural Architecture Search

Learning from one's mistakes is an effective human learning technique where the learners focus more on the topics where mistakes were made, so as to deepen their understanding. In this paper, we investigate if this human learning strategy can be applied in machine learning. We propose a novel machine learning method called Learning From Mistakes (LFM), wherein the learner improves its ability to learn by focusing more on the mistakes during revision. We formulate LFM as a three-stage optimization problem: 1) learner learns; 2) learner re-learns focusing on the mistakes, and; 3) learner validates its learning. We develop an efficient algorithm to solve the LFM problem. We apply the LFM framework to neural architecture search on CIFAR-10, CIFAR-100, and Imagenet. Experimental results strongly demonstrate the effectiveness of our model.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Learning from Mistakes based on Class Weighting with Application to Neural Architecture Search

Learning from mistakes is an effective learning approach widely used in human learning, where a learner pays greater focus on mistakes to circumvent them in the future to improve the overall learning outcomes. In this work, we aim to investigate how effectively we can leverage this exceptional learning ability to improve machine learning models. We propose a simple and effective multi-level optimization framework called learning from mistakes using class weighting (LFM-CW), inspired by mistake-driven learning to train better machine learning models. In this formulation, the primary objective is to train a model to perform effectively on target tasks by using a re-weighting technique. We learn the class weights by minimizing the validation loss of the model and re-train the model with the synthetic data from the image generator weighted by class-wise performance and real data. We apply our LFM-CW framework with differential architecture search methods on image classification datasets such as CIFAR and ImageNet, where the results show that our proposed strategy achieves lower error rate than the baselines.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Multimodal Machine Learning for Automated ICD Coding

This study presents a multimodal machine learning model to predict ICD-10 diagnostic codes. We developed separate machine learning models that can handle data from different modalities, including unstructured text, semi-structured text and structured tabular data. We further employed an ensemble method to integrate all modality-specific models to generate ICD-10 codes. Key evidence was also extracted to make our prediction more convincing and explainable. We used the Medical Information Mart for Intensive Care III (MIMIC -III) dataset to validate our approach. For ICD code prediction, our best-performing model (micro-F1 = 0.7633, micro-AUC = 0.9541) significantly outperforms other baseline models including TF-IDF (micro-F1 = 0.6721, micro-AUC = 0.7879) and Text-CNN model (micro-F1 = 0.6569, micro-AUC = 0.9235). For interpretability, our approach achieves a Jaccard Similarity Coefficient (JSC) of 0.1806 on text data and 0.3105 on tabular data, where well-trained physicians achieve 0.2780 and 0.5002 respectively.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Not All Patches are What You Need: Expediting Vision Transformers via Token Reorganizations

Vision Transformers (ViTs) take all the image patches as tokens and construct multi-head self-attention (MHSA) among them. Complete leverage of these image tokens brings redundant computations since not all the tokens are attentive in MHSA. Examples include that tokens containing semantically meaningless or distractive image backgrounds do not positively contribute to the ViT predictions. In this work, we propose to reorganize image tokens during the feed-forward process of ViT models, which is integrated into ViT during training. For each forward inference, we identify the attentive image tokens between MHSA and FFN (i.e., feed-forward network) modules, which is guided by the corresponding class token attention. Then, we reorganize image tokens by preserving attentive image tokens and fusing inattentive ones to expedite subsequent MHSA and FFN computations. To this end, our method EViT improves ViTs from two perspectives. First, under the same amount of input image tokens, our method reduces MHSA and FFN computation for efficient inference. For instance, the inference speed of DeiT-S is increased by 50% while its recognition accuracy is decreased by only 0.3% for ImageNet classification. Second, by maintaining the same computational cost, our method empowers ViTs to take more image tokens as input for recognition accuracy improvement, where the image tokens are from higher resolution images. An example is that we improve the recognition accuracy of DeiT-S by 1% for ImageNet classification at the same computational cost of a vanilla DeiT-S. Meanwhile, our method does not introduce more parameters to ViTs. Experiments on the standard benchmarks show the effectiveness of our method. The code is available at https://github.com/youweiliang/evit

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Self-directed Machine Learning

Conventional machine learning (ML) relies heavily on manual design from machine learning experts to decide learning tasks, data, models, optimization algorithms, and evaluation metrics, which is labor-intensive, time-consuming, and cannot learn autonomously like humans. In education science, self-directed learning, where human learners select learning tasks and materials on their own without requiring hands-on guidance, has been shown to be more effective than passive teacher-guided learning. Inspired by the concept of self-directed human learning, we introduce the principal concept of Self-directed Machine Learning (SDML) and propose a framework for SDML. Specifically, we design SDML as a self-directed learning process guided by self-awareness, including internal awareness and external awareness. Our proposed SDML process benefits from self task selection, self data selection, self model selection, self optimization strategy selection and self evaluation metric selection through self-awareness without human guidance. Meanwhile, the learning performance of the SDML process serves as feedback to further improve self-awareness. We propose a mathematical formulation for SDML based on multi-level optimization. Furthermore, we present case studies together with potential applications of SDML, followed by discussing future research directions. We expect that SDML could enable machines to conduct human-like self-directed learning and provide a new perspective towards artificial general intelligence.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Adversarial Domain Adaptation Being Aware of Class Relationships

Adversarial training is a useful approach to promote the learning of transferable representations across the source and target domains, which has been widely applied for domain adaptation (DA) tasks based on deep neural networks. Until very recently, existing adversarial domain adaptation (ADA) methods ignore the useful information from the label space, which is an important factor accountable for the complicated data distributions associated with different semantic classes. Especially, the inter-class semantic relationships have been rarely considered and discussed in the current work of transfer learning. In this paper, we propose a novel relationship-aware adversarial domain adaptation (RADA) algorithm, which first utilizes a single multi-class domain discriminator to enforce the learning of inter-class dependency structure during domain-adversarial training and then aligns this structure with the inter-class dependencies that are characterized from training the label predictor on source domain. Specifically, we impose a regularization term to penalize the structure discrepancy between the inter-class dependencies respectively estimated from domain discriminator and label predictor. Through this alignment, our proposed method makes the adversarial domain adaptation aware of the class relationships. Empirical studies show that the incorporation of class relationships significantly improves the performance on benchmark datasets.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

CERT: Contrastive Self-supervised Learning for Language Understanding

Pretrained language models such as BERT, GPT have shown great effectiveness in language understanding. The auxiliary predictive tasks in existing pretraining approaches are mostly defined on tokens, thus may not be able to capture sentence-level semantics very well. To address this issue, we propose CERT: Contrastive self-supervised Encoder Representations from Transformers, which pretrains language representation models using contrastive self-supervised learning at the sentence level. CERT creates augmentations of original sentences using back-translation. Then it finetunes a pretrained language encoder (e.g., BERT) by predicting whether two augmented sentences originate from the same sentence. CERT is simple to use and can be flexibly plugged into any pretraining-finetuning NLP pipeline. We evaluate CERT on 11 natural language understanding tasks in the GLUE benchmark where CERT outperforms BERT on 7 tasks, achieves the same performance as BERT on 2 tasks, and performs worse than BERT on 2 tasks. On the averaged score of the 11 tasks, CERT outperforms BERT. The data and code are available at https://github.com/UCSD-AI4H/CERT

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Contrastive Self-supervised Learning for Graph Classification

Graph classification is a widely studied problem and has broad applications. In many real-world problems, the number of labeled graphs available for training classification models is limited, which renders these models prone to overfitting. To address this problem, we propose two approaches based on contrastive self-supervised learning (CSSL) to alleviate overfitting. In the first approach, we use CSSL to pretrain graph encoders on widely-available unlabeled graphs without relying on human-provided labels, then finetune the pretrained encoders on labeled graphs. In the second approach, we develop a regularizer based on CSSL, and solve the supervised classification task and the unsupervised CSSL task simultaneously. To perform CSSL on graphs, given a collection of original graphs, we perform data augmentation to create augmented graphs out of the original graphs. An augmented graph is created by consecutively applying a sequence of graph alteration operations. A contrastive loss is defined to learn graph encoders by judging whether two augmented graphs are from the same original graph. Experiments on various graph classification datasets demonstrate the effectiveness of our proposed methods.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

COVID-CT-Dataset: A CT Scan Dataset about COVID-19

During the outbreak time of COVID-19, computed tomography (CT) is a useful manner for diagnosing COVID-19 patients. Due to privacy issues, publicly available COVID-19 CT datasets are highly difficult to obtain, which hinders the research and development of AI-powered diagnosis methods of COVID-19 based on CTs. To address this issue, we build an open-sourced dataset -- COVID-CT, which contains 349 COVID-19 CT images from 216 patients and 463 non-COVID-19 CTs. The utility of this dataset is confirmed by a senior radiologist who has been diagnosing and treating COVID-19 patients since the outbreak of this pandemic. We also perform experimental studies which further demonstrate that this dataset is useful for developing AI-based diagnosis models of COVID-19. Using this dataset, we develop diagnosis methods based on multi-task learning and self-supervised learning, that achieve an F1 of 0.90, an AUC of 0.98, and an accuracy of 0.89. According to the senior radiologist, models with such performance are good enough for clinical usage. The data and code are available at https://github.com/UCSD-AI4H/COVID-CT

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Differentially-private Federated Neural Architecture Search

Neural architecture search, which aims to automatically search for architectures (e.g., convolution, max pooling) of neural networks that maximize validation performance, has achieved remarkable progress recently. In many application scenarios, several parties would like to collaboratively search for a shared neural architecture by leveraging data from all parties. However, due to privacy concerns, no party wants its data to be seen by other parties. To address this problem, we propose federated neural architecture search (FNAS), where different parties collectively search for a differentiable architecture by exchanging gradients of architecture variables without exposing their data to other parties. To further preserve privacy, we study differentially-private FNAS (DP-FNAS), which adds random noise to the gradients of architecture variables. We provide theoretical guarantees of DP-FNAS in achieving differential privacy. Experiments show that DP-FNAS can search highly-performant neural architectures while protecting the privacy of individual parties. The code is available at https://github.com/UCSD-AI4H/DP-FNAS

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Identifying Radiological Findings Related to COVID-19 from Medical Literature

Coronavirus disease 2019 (COVID-19) has infected more than one million individuals all over the world and caused more than 55,000 deaths, as of April 3 in 2020. Radiological findings are important sources of information in guiding the diagnosis and treatment of COVID-19. However, the existing studies on how radiological findings are correlated with COVID-19 are conducted separately by different hospitals, which may be inconsistent or even conflicting due to population bias. To address this problem, we develop natural language processing methods to analyze a large collection of COVID-19 literature containing study reports from hospitals all over the world, reconcile these results, and draw unbiased and universally-sensible conclusions about the correlation between radiological findings and COVID-19. We apply our method to the CORD-19 dataset and successfully extract a set of radiological findings that are closely tied to COVID-19.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

MedDialog: Two Large-scale Medical Dialogue Datasets

Medical dialogue systems are promising in assisting in telemedicine to increase access to healthcare services, improve the quality of patient care, and reduce medical costs. To facilitate the research and development of medical dialogue systems, we build two large-scale medical dialogue datasets: MedDialog-EN and MedDialog-CN. MedDialog-EN is an English dataset containing 0.3 million conversations between patients and doctors and 0.5 million utterances. MedDialog-CN is an Chinese dataset containing 1.1 million conversations and 4 million utterances. To our best knowledge, MedDialog-(EN,CN) are the largest medical dialogue datasets to date. The dataset is available at https://github.com/UCSD-AI4H/Medical-Dialogue-System

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

On the Generation of Medical Dialogues for COVID-19

Under the pandemic of COVID-19, people experiencing COVID19-related symptoms or exposed to risk factors have a pressing need to consult doctors. Due to hospital closure, a lot of consulting services have been moved online. Because of the shortage of medical professionals, many people cannot receive online consultations timely. To address this problem, we aim to develop a medical dialogue system that can provide COVID19-related consultations. We collected two dialogue datasets -- CovidDialog -- (in English and Chinese respectively) containing conversations between doctors and patients about COVID-19. On these two datasets, we train several dialogue generation models based on Transformer, GPT, and BERT-GPT. Since the two COVID-19 dialogue datasets are small in size, which bear high risk of overfitting, we leverage transfer learning to mitigate data deficiency. Specifically, we take the pretrained models of Transformer, GPT, and BERT-GPT on dialog datasets and other large-scale texts, then finetune them on our CovidDialog tasks. We perform both automatic and human evaluation of responses generated by these models. The results show that the generated responses are promising in being doctor-like, relevant to the conversation history, and clinically informative. The data and code are available at https://github.com/UCSD-AI4H/COVID-Dialogue.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

PathVQA: 30000+ Questions for Medical Visual Question Answering

Is it possible to develop an "AI Pathologist" to pass the board-certified examination of the American Board of Pathology? To achieve this goal, the first step is to create a visual question answering (VQA) dataset where the AI agent is presented with a pathology image together with a question and is asked to give the correct answer. Our work makes the first attempt to build such a dataset. Different from creating general-domain VQA datasets where the images are widely accessible and there are many crowdsourcing workers available and capable of generating question-answer pairs, developing a medical VQA dataset is much more challenging. First, due to privacy concerns, pathology images are usually not publicly available. Second, only well-trained pathologists can understand pathology images, but they barely have time to help create datasets for AI research. To address these challenges, we resort to pathology textbooks and online digital libraries. We develop a semi-automated pipeline to extract pathology images and captions from textbooks and generate question-answer pairs from captions using natural language processing. We collect 32,799 open-ended questions from 4,998 pathology images where each question is manually checked to ensure correctness. To our best knowledge, this is the first dataset for pathology VQA. Our dataset will be released publicly to promote research in medical VQA.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Transfer Learning or Self-supervised Learning? A Tale of Two Pretraining Paradigms

Pretraining has become a standard technique in computer vision and natural language processing, which usually helps to improve performance substantially. Previously, the most dominant pretraining method is transfer learning (TL), which uses labeled data to learn a good representation network. Recently, a new pretraining approach -- self-supervised learning (SSL) -- has demonstrated promising results on a wide range of applications. SSL does not require annotated labels. It is purely conducted on input data by solving auxiliary tasks defined on the input data examples. The current reported results show that in certain applications, SSL outperforms TL and the other way around in other applications. There has not been a clear understanding on what properties of data and tasks render one approach outperforms the other. Without an informed guideline, ML researchers have to try both methods to find out which one is better empirically. It is usually time-consuming to do so. In this work, we aim to address this problem. We perform a comprehensive comparative study between SSL and TL regarding which one works better under different properties of data and tasks, including domain difference between source and target tasks, the amount of pretraining data, class imbalance in source data, and usage of target data for additional pretraining, etc. The insights distilled from our comparative studies can help ML researchers decide which method to use based on the properties of their applications.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

XRayGAN: Consistency-preserving Generation of X-ray Images from Radiology Reports

To effectively train medical students to become qualified radiologists, a large number of X-ray images collected from patients with diverse medical conditions are needed. However, due to data privacy concerns, such images are typically difficult to obtain. To address this problem, we develop methods to generate view-consistent, high-fidelity, and high-resolution X-ray images from radiology reports to facilitate radiology training of medical students. This task is presented with several challenges. First, from a single report, images with different views (e.g., frontal, lateral) need to be generated. How to ensure consistency of these images (i.e., make sure they are about the same patient)? Second, X-ray images are required to have high resolution. Otherwise, many details of diseases would be lost. How to generate high-resolutions images? Third, radiology reports are long and have complicated structure. How to effectively understand their semantics to generate high-fidelity images that accurately reflect the contents of the reports? To address these three challenges, we propose an XRayGAN composed of three modules: (1) a view consistency network that maximizes the consistency between generated frontal-view and lateral-view images; (2) a multi-scale conditional GAN that progressively generates a cascade of images with increasing resolution; (3) a hierarchical attentional encoder that learns the latent semantics of a radiology report by capturing its hierarchical linguistic structure and various levels of clinical importance of words and sentences. Experiments on two radiology datasets demonstrate the effectiveness of our methods. To our best knowledge, this work represents the first one generating consistent and high-resolution X-ray images from radiology reports. The code is available at https://github.com/UCSD-AI4H/XRayGAN.

0 citations0 reviewsNo code linkedOpen access
preprint2017arXiv

Towards Automated ICD Coding Using Deep Learning

International Classification of Diseases(ICD) is an authoritative health care classification system of different diseases and conditions for clinical and management purposes. Considering the complicated and dedicated process to assign correct codes to each patient admission based on overall diagnosis, we propose a hierarchical deep learning model with attention mechanism which can automatically assign ICD diagnostic codes given written diagnosis. We utilize character-aware neural language models to generate hidden representations of written diagnosis descriptions and ICD codes, and design an attention mechanism to address the mismatch between the numbers of descriptions and corresponding codes. Our experimental results show the strong potential of automated ICD coding from diagnosis descriptions. Our best model achieves 0.53 and 0.90 of F1 score and area under curve of receiver operating characteristic respectively. The result outperforms those achieved using character-unaware encoding method or without attention mechanism. It indicates that our proposed deep learning model can code automatically in a reasonable way and provide a framework for computer-auxiliary ICD coding.

0 citations0 reviewsNo code linkedOpen access