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Pengtao Xie

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Published work

33 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

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.

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.

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.

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.

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.

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.

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

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.

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.

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

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.

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

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

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.

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

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.

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.

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.

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.

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.

preprint2015arXiv

CryptGraph: Privacy Preserving Graph Analytics on Encrypted Graph

Many graph mining and analysis services have been deployed on the cloud, which can alleviate users from the burden of implementing and maintaining graph algorithms. However, putting graph analytics on the cloud can invade users' privacy. To solve this problem, we propose CryptGraph, which runs graph analytics on encrypted graph to preserve the privacy of both users' graph data and the analytic results. In CryptGraph, users encrypt their graphs before uploading them to the cloud. The cloud runs graph analysis on the encrypted graphs and obtains results which are also in encrypted form that the cloud cannot decipher. During the process of computing, the encrypted graphs are never decrypted on the cloud side. The encrypted results are sent back to users and users perform the decryption to obtain the plaintext results. In this process, users' graphs and the analytics results are both encrypted and the cloud knows neither of them. Thereby, users' privacy can be strongly protected. Meanwhile, with the help of homomorphic encryption, the results analyzed from the encrypted graphs are guaranteed to be correct. In this paper, we present how to encrypt a graph using homomorphic encryption and how to query the structure of an encrypted graph by computing polynomials. To solve the problem that certain operations are not executable on encrypted graphs, we propose hard computation outsourcing to seek help from users. Using two graph algorithms as examples, we show how to apply our methods to perform analytics on encrypted graphs. Experiments on two datasets demonstrate the correctness and feasibility of our methods.

preprint2015arXiv

Distributed Machine Learning via Sufficient Factor Broadcasting

Matrix-parametrized models, including multiclass logistic regression and sparse coding, are used in machine learning (ML) applications ranging from computer vision to computational biology. When these models are applied to large-scale ML problems starting at millions of samples and tens of thousands of classes, their parameter matrix can grow at an unexpected rate, resulting in high parameter synchronization costs that greatly slow down distributed learning. To address this issue, we propose a Sufficient Factor Broadcasting (SFB) computation model for efficient distributed learning of a large family of matrix-parameterized models, which share the following property: the parameter update computed on each data sample is a rank-1 matrix, i.e., the outer product of two "sufficient factors" (SFs). By broadcasting the SFs among worker machines and reconstructing the update matrices locally at each worker, SFB improves communication efficiency --- communication costs are linear in the parameter matrix's dimensions, rather than quadratic --- without affecting computational correctness. We present a theoretical convergence analysis of SFB, and empirically corroborate its efficiency on four different matrix-parametrized ML models.

preprint2015arXiv

Distributed Machine Learning via Sufficient Factor Broadcasting

Matrix-parametrized models, including multiclass logistic regression and sparse coding, are used in machine learning (ML) applications ranging from computer vision to computational biology. When these models are applied to large-scale ML problems starting at millions of samples and tens of thousands of classes, their parameter matrix can grow at an unexpected rate, resulting in high parameter synchronization costs that greatly slow down distributed learning. To address this issue, we propose a Sufficient Factor Broadcasting (SFB) computation model for efficient distributed learning of a large family of matrix-parameterized models, which share the following property: the parameter update computed on each data sample is a rank-1 matrix, i.e., the outer product of two "sufficient factors" (SFs). By broadcasting the SFs among worker machines and reconstructing the update matrices locally at each worker, SFB improves communication efficiency --- communication costs are linear in the parameter matrix's dimensions, rather than quadratic --- without affecting computational correctness. We present a theoretical convergence analysis of SFB, and empirically corroborate its efficiency on four different matrix-parametrized ML models.

preprint2015arXiv

Distributed Training of Deep Neural Networks with Theoretical Analysis: Under SSP Setting

We propose a distributed approach to train deep neural networks (DNNs), which has guaranteed convergence theoretically and great scalability empirically: close to 6 times faster on instance of ImageNet data set when run with 6 machines. The proposed scheme is close to optimally scalable in terms of number of machines, and guaranteed to converge to the same optima as the undistributed setting. The convergence and scalability of the distributed setting is shown empirically across different datasets (TIMIT and ImageNet) and machine learning tasks (image classification and phoneme extraction). The convergence analysis provides novel insights into this complex learning scheme, including: 1) layerwise convergence, and 2) convergence of the weights in probability.

preprint2015arXiv

On the Generalization Error Bounds of Neural Networks under Diversity-Inducing Mutual Angular Regularization

Recently diversity-inducing regularization methods for latent variable models (LVMs), which encourage the components in LVMs to be diverse, have been studied to address several issues involved in latent variable modeling: (1) how to capture long-tail patterns underlying data; (2) how to reduce model complexity without sacrificing expressivity; (3) how to improve the interpretability of learned patterns. While the effectiveness of diversity-inducing regularizers such as the mutual angular regularizer has been demonstrated empirically, a rigorous theoretical analysis of them is still missing. In this paper, we aim to bridge this gap and analyze how the mutual angular regularizer (MAR) affects the generalization performance of supervised LVMs. We use neural network (NN) as a model instance to carry out the study and the analysis shows that increasing the diversity of hidden units in NN would reduce estimation error and increase approximation error. In addition to theoretical analysis, we also present empirical study which demonstrates that the MAR can greatly improve the performance of NN and the empirical observations are in accordance with the theoretical analysis.

preprint2015arXiv

Petuum: A New Platform for Distributed Machine Learning on Big Data

What is a systematic way to efficiently apply a wide spectrum of advanced ML programs to industrial scale problems, using Big Models (up to 100s of billions of parameters) on Big Data (up to terabytes or petabytes)? Modern parallelization strategies employ fine-grained operations and scheduling beyond the classic bulk-synchronous processing paradigm popularized by MapReduce, or even specialized graph-based execution that relies on graph representations of ML programs. The variety of approaches tends to pull systems and algorithms design in different directions, and it remains difficult to find a universal platform applicable to a wide range of ML programs at scale. We propose a general-purpose framework that systematically addresses data- and model-parallel challenges in large-scale ML, by observing that many ML programs are fundamentally optimization-centric and admit error-tolerant, iterative-convergent algorithmic solutions. This presents unique opportunities for an integrative system design, such as bounded-error network synchronization and dynamic scheduling based on ML program structure. We demonstrate the efficacy of these system designs versus well-known implementations of modern ML algorithms, allowing ML programs to run in much less time and at considerably larger model sizes, even on modestly-sized compute clusters.

preprint2015arXiv

Poseidon: A System Architecture for Efficient GPU-based Deep Learning on Multiple Machines

Deep learning (DL) has achieved notable successes in many machine learning tasks. A number of frameworks have been developed to expedite the process of designing and training deep neural networks (DNNs), such as Caffe, Torch and Theano. Currently they can harness multiple GPUs on a single machine, but are unable to use GPUs that are distributed across multiple machines; as even average-sized DNNs can take days to train on a single GPU with 100s of GBs to TBs of data, distributed GPUs present a prime opportunity for scaling up DL. However, the limited bandwidth available on commodity Ethernet networks presents a bottleneck to distributed GPU training, and prevents its trivial realization. To investigate how to adapt existing frameworks to efficiently support distributed GPUs, we propose Poseidon, a scalable system architecture for distributed inter-machine communication in existing DL frameworks. We integrate Poseidon with Caffe and evaluate its performance at training DNNs for object recognition. Poseidon features three key contributions that accelerate DNN training on clusters: (1) a three-level hybrid architecture that allows Poseidon to support both CPU-only and GPU-equipped clusters, (2) a distributed wait-free backpropagation (DWBP) algorithm to improve GPU utilization and to balance communication, and (3) a structure-aware communication protocol (SACP) to minimize communication overheads. We empirically show that Poseidon converges to same objectives as a single machine, and achieves state-of-art training speedup across multiple models and well-established datasets using a commodity GPU cluster of 8 nodes (e.g. 4.5x speedup on AlexNet, 4x on GoogLeNet, 4x on CIFAR-10). On the much larger ImageNet22K dataset, Poseidon with 8 nodes achieves better speedup and competitive accuracy to recent CPU-based distributed systems such as Adam and Le et al., which use 10s to 1000s of nodes.

preprint2015arXiv

Strategies and Principles of Distributed Machine Learning on Big Data

The rise of Big Data has led to new demands for Machine Learning (ML) systems to learn complex models with millions to billions of parameters, that promise adequate capacity to digest massive datasets and offer powerful predictive analytics thereupon. In order to run ML algorithms at such scales, on a distributed cluster with 10s to 1000s of machines, it is often the case that significant engineering efforts are required --- and one might fairly ask if such engineering truly falls within the domain of ML research or not. Taking the view that Big ML systems can benefit greatly from ML-rooted statistical and algorithmic insights --- and that ML researchers should therefore not shy away from such systems design --- we discuss a series of principles and strategies distilled from our recent efforts on industrial-scale ML solutions. These principles and strategies span a continuum from application, to engineering, and to theoretical research and development of Big ML systems and architectures, with the goal of understanding how to make them efficient, generally-applicable, and supported with convergence and scaling guarantees. They concern four key questions which traditionally receive little attention in ML research: How to distribute an ML program over a cluster? How to bridge ML computation with inter-machine communication? How to perform such communication? What should be communicated between machines? By exposing underlying statistical and algorithmic characteristics unique to ML programs but not typically seen in traditional computer programs, and by dissecting successful cases to reveal how we have harnessed these principles to design and develop both high-performance distributed ML software as well as general-purpose ML frameworks, we present opportunities for ML researchers and practitioners to further shape and grow the area that lies between ML and systems.

preprint2014arXiv

Cauchy Principal Component Analysis

Principal Component Analysis (PCA) has wide applications in machine learning, text mining and computer vision. Classical PCA based on a Gaussian noise model is fragile to noise of large magnitude. Laplace noise assumption based PCA methods cannot deal with dense noise effectively. In this paper, we propose Cauchy Principal Component Analysis (Cauchy PCA), a very simple yet effective PCA method which is robust to various types of noise. We utilize Cauchy distribution to model noise and derive Cauchy PCA under the maximum likelihood estimation (MLE) framework with low rank constraint. Our method can robustly estimate the low rank matrix regardless of whether noise is large or small, dense or sparse. We analyze the robustness of Cauchy PCA from a robust statistics view and present an efficient singular value projection optimization method. Experimental results on both simulated data and real applications demonstrate the robustness of Cauchy PCA to various noise patterns.

preprint2014arXiv

Crypto-Nets: Neural Networks over Encrypted Data

The problem we address is the following: how can a user employ a predictive model that is held by a third party, without compromising private information. For example, a hospital may wish to use a cloud service to predict the readmission risk of a patient. However, due to regulations, the patient's medical files cannot be revealed. The goal is to make an inference using the model, without jeopardizing the accuracy of the prediction or the privacy of the data. To achieve high accuracy, we use neural networks, which have been shown to outperform other learning models for many tasks. To achieve the privacy requirements, we use homomorphic encryption in the following protocol: the data owner encrypts the data and sends the ciphertexts to the third party to obtain a prediction from a trained model. The model operates on these ciphertexts and sends back the encrypted prediction. In this protocol, not only the data remains private, even the values predicted are available only to the data owner. Using homomorphic encryption and modifications to the activation functions and training algorithms of neural networks, we show that it is protocol is possible and may be feasible. This method paves the way to build a secure cloud-based neural network prediction services without invading users' privacy.

preprint2014arXiv

Large Scale Distributed Distance Metric Learning

In large scale machine learning and data mining problems with high feature dimensionality, the Euclidean distance between data points can be uninformative, and Distance Metric Learning (DML) is often desired to learn a proper similarity measure (using side information such as example data pairs being similar or dissimilar). However, high dimensionality and large volume of pairwise constraints in modern big data can lead to prohibitive computational cost for both the original DML formulation in Xing et al. (2002) and later extensions. In this paper, we present a distributed algorithm for DML, and a large-scale implementation on a parameter server architecture. Our approach builds on a parallelizable reformulation of Xing et al. (2002), and an asynchronous stochastic gradient descent optimization procedure. To our knowledge, this is the first distributed solution to DML, and we show that, on a system with 256 CPU cores, our program is able to complete a DML task on a dataset with 1 million data points, 22-thousand features, and 200 million labeled data pairs, in 15 hours; and the learned metric shows great effectiveness in properly measuring distances.

preprint2013arXiv

Integrating Document Clustering and Topic Modeling

Document clustering and topic modeling are two closely related tasks which can mutually benefit each other. Topic modeling can project documents into a topic space which facilitates effective document clustering. Cluster labels discovered by document clustering can be incorporated into topic models to extract local topics specific to each cluster and global topics shared by all clusters. In this paper, we propose a multi-grain clustering topic model (MGCTM) which integrates document clustering and topic modeling into a unified framework and jointly performs the two tasks to achieve the overall best performance. Our model tightly couples two components: a mixture component used for discovering latent groups in document collection and a topic model component used for mining multi-grain topics including local topics specific to each cluster and global topics shared across clusters.We employ variational inference to approximate the posterior of hidden variables and learn model parameters. Experiments on two datasets demonstrate the effectiveness of our model.