Model Provenance via Model DNA

Understanding the life cycle of the machine learning (ML) model is an intriguing area of research (e.g., understanding where the model comes from, how it is trained, and how it is used). This paper focuses on a novel problem within this field, namely Model Provenance (MP), which concerns the relationship between a target model and its pre-training model and aims to determine whether a source model serves as the provenance for a target model. This is an important problem that has significant implications for ensuring the security and intellectual property of machine learning models but has not received much attention in the literature. To fill in this gap, we introduce a novel concept of Model DNA which represents the unique characteristics of a machine learning model. We utilize a data-driven and model-driven representation learning method to encode the model's training data and input-output information as a compact and comprehensive representation (i.e., DNA) of the model. Using this model DNA, we develop an efficient framework for model provenance identification, which enables us to identify whether a source model is a pre-training model of a target model. We conduct evaluations on both computer vision and natural language processing tasks using various models, datasets, and scenarios to demonstrate the effectiveness of our approach in accurately identifying model provenance.

Personalized Federated Learning via Amortized Bayesian Meta-Learning

Federated learning is a decentralized and privacy-preserving technique that enables multiple clients to collaborate with a server to learn a global model without exposing their private data. However, the presence of statistical heterogeneity among clients poses a challenge, as the global model may struggle to perform well on each client's specific task. To address this issue, we introduce a new perspective on personalized federated learning through Amortized Bayesian Meta-Learning. Specifically, we propose a novel algorithm called \emph{FedABML}, which employs hierarchical variational inference across clients. The global prior aims to capture representations of common intrinsic structures from heterogeneous clients, which can then be transferred to their respective tasks and aid in the generation of accurate client-specific approximate posteriors through a few local updates. Our theoretical analysis provides an upper bound on the average generalization error and guarantees the generalization performance on unseen data. Finally, several empirical results are implemented to demonstrate that \emph{FedABML} outperforms several competitive baselines.

Large Language Model as Attributed Training Data Generator: A Tale of Diversity and Bias

Large language models (LLMs) have been recently leveraged as training data generators for various natural language processing (NLP) tasks. While previous research has explored different approaches to training models using generated data, they generally rely on simple class-conditional prompts, which may limit the diversity of the generated data and inherit systematic biases of LLM. Thus, we investigate training data generation with diversely attributed prompts (e.g., specifying attributes like length and style), which have the potential to yield diverse and attributed generated data. Our investigation focuses on datasets with high cardinality and diverse domains, wherein we demonstrate that attributed prompts outperform simple class-conditional prompts in terms of the resulting model's performance. Additionally, we present a comprehensive empirical study on data generation encompassing vital aspects like bias, diversity, and efficiency, and highlight three key observations: firstly, synthetic datasets generated by simple prompts exhibit significant biases, such as regional bias; secondly, attribute diversity plays a pivotal role in enhancing model performance; lastly, attributed prompts achieve the performance of simple class-conditional prompts while utilizing only 5\% of the querying cost of ChatGPT associated with the latter. We release the generated dataset and used prompts to facilitate future research. The data and code will be available on \url{https://github.com/yueyu1030/AttrPrompt}.

Practical Privacy-Preserving Gaussian Process Regression via Secret Sharing

Gaussian process regression (GPR) is a non-parametric model that has been used in many real-world applications that involve sensitive personal data (e.g., healthcare, finance, etc.) from multiple data owners. To fully and securely exploit the value of different data sources, this paper proposes a privacy-preserving GPR method based on secret sharing (SS), a secure multi-party computation (SMPC) technique. In contrast to existing studies that protect the data privacy of GPR via homomorphic encryption, differential privacy, or federated learning, our proposed method is more practical and can be used to preserve the data privacy of both the model inputs and outputs for various data-sharing scenarios (e.g., horizontally/vertically-partitioned data). However, it is non-trivial to directly apply SS on the conventional GPR algorithm, as it includes some operations whose accuracy and/or efficiency have not been well-enhanced in the current SMPC protocol. To address this issue, we derive a new SS-based exponentiation operation through the idea of 'confusion-correction' and construct an SS-based matrix inversion algorithm based on Cholesky decomposition. More importantly, we theoretically analyze the communication cost and the security of the proposed SS-based operations. Empirical results show that our proposed method can achieve reasonable accuracy and efficiency under the premise of preserving data privacy.

ToolQA: A Dataset for LLM Question Answering with External Tools

Large Language Models (LLMs) have demonstrated impressive performance in various NLP tasks, but they still suffer from challenges such as hallucination and weak numerical reasoning. To overcome these challenges, external tools can be used to enhance LLMs' question-answering abilities. However, current evaluation methods do not distinguish between questions that can be answered using LLMs' internal knowledge and those that require external information through tool use. To address this issue, we introduce a new dataset called ToolQA, which is designed to faithfully evaluate LLMs' ability to use external tools for question answering. Our development of ToolQA involved a scalable, automated process for dataset curation, along with 13 specialized tools designed for interaction with external knowledge in order to answer questions. Importantly, we strive to minimize the overlap between our benchmark data and LLMs' pre-training data, enabling a more precise evaluation of LLMs' tool-use reasoning abilities. We conducted an in-depth diagnosis of existing tool-use LLMs to highlight their strengths, weaknesses, and potential improvements. Our findings set a new benchmark for evaluating LLMs and suggest new directions for future advancements. Our data and code are freely available to the broader scientific community on GitHub.

MUBen: Benchmarking the Uncertainty of Pre-Trained Models for Molecular Property Prediction

Large Transformer models pre-trained on massive unlabeled molecular data have shown great success in predicting molecular properties. However, these models can be prone to overfitting during fine-tuning, resulting in over-confident predictions on test data that fall outside of the training distribution. To address this issue, uncertainty quantification (UQ) methods can be used to improve the models' calibration of predictions. Although many UQ approaches exist, not all of them lead to improved performance. While some studies have used UQ to improve molecular pre-trained models, the process of selecting suitable backbone and UQ methods for reliable molecular uncertainty estimation remains underexplored. To address this gap, we present MUBen, which evaluates different combinations of backbone and UQ models to quantify their performance for both property prediction and uncertainty estimation. By fine-tuning various backbone molecular representation models using different molecular descriptors as inputs with UQ methods from different categories, we critically assess the influence of architectural decisions and training strategies. Our study offers insights for selecting UQ and backbone models, which can facilitate research on uncertainty-critical applications in fields such as materials science and drug discovery.

DyGen: Learning from Noisy Labels via Dynamics-Enhanced Generative Modeling

Learning from noisy labels is a challenge that arises in many real-world applications where training data can contain incorrect or corrupted labels. When fine-tuning language models with noisy labels, models can easily overfit the label noise, leading to decreased performance. Most existing methods for learning from noisy labels use static input features for denoising, but these methods are limited by the information they can provide on true label distributions and can result in biased or incorrect predictions. In this work, we propose the Dynamics-Enhanced Generative Model (DyGen), which uses dynamic patterns in the embedding space during the fine-tuning process of language models to improve noisy label predictions. DyGen uses the variational auto-encoding framework to infer the posterior distributions of true labels from noisy labels and training dynamics. Additionally, a co-regularization mechanism is used to minimize the impact of potentially noisy labels and priors. DyGen demonstrates an average accuracy improvement of 3.10% on two synthetic noise datasets and 1.48% on three real-world noise datasets compared to the previous state-of-the-art. Extensive experiments and analyses show the effectiveness of each component in DyGen. Our code is available for reproducibility on GitHub.

Weakly-Supervised Scientific Document Classification via Retrieval-Augmented Multi-Stage Training

Scientific document classification is a critical task for a wide range of applications, but the cost of obtaining massive amounts of human-labeled data can be prohibitive. To address this challenge, we propose a weakly-supervised approach for scientific document classification using label names only. In scientific domains, label names often include domain-specific concepts that may not appear in the document corpus, making it difficult to match labels and documents precisely. To tackle this issue, we propose WANDER, which leverages dense retrieval to perform matching in the embedding space to capture the semantics of label names. We further design the label name expansion module to enrich the label name representations. Lastly, a self-training step is used to refine the predictions. The experiments on three datasets show that WANDER outperforms the best baseline by 11.9% on average. Our code will be published at https://github.com/ritaranx/wander.

A Survey on Knowledge Graphs for Healthcare: Resources, Applications, and Promises

Healthcare knowledge graphs (HKGs) have emerged as a promising tool for organizing medical knowledge in a structured and interpretable way, which provides a comprehensive view of medical concepts and their relationships. However, challenges such as data heterogeneity and limited coverage remain, emphasizing the need for further research in the field of HKGs. This survey paper serves as the first comprehensive overview of HKGs. We summarize the pipeline and key techniques for HKG construction (i.e., from scratch and through integration), as well as the common utilization approaches (i.e., model-free and model-based). To provide researchers with valuable resources, we organize existing HKGs (The resource is available at https://github.com/lujiaying/Awesome-HealthCare-KnowledgeBase) based on the data types they capture and application domains, supplemented with pertinent statistical information. In the application section, we delve into the transformative impact of HKGs across various healthcare domains, spanning from fine-grained basic science research to high-level clinical decision support. Lastly, we shed light on the opportunities for creating comprehensive and accurate HKGs in the era of large language models, presenting the potential to revolutionize healthcare delivery and enhance the interpretability and reliability of clinical prediction.

Local Boosting for Weakly-Supervised Learning

Boosting is a commonly used technique to enhance the performance of a set of base models by combining them into a strong ensemble model. Though widely adopted, boosting is typically used in supervised learning where the data is labeled accurately. However, in weakly supervised learning, where most of the data is labeled through weak and noisy sources, it remains nontrivial to design effective boosting approaches. In this work, we show that the standard implementation of the convex combination of base learners can hardly work due to the presence of noisy labels. Instead, we propose $\textit{LocalBoost}$, a novel framework for weakly-supervised boosting. LocalBoost iteratively boosts the ensemble model from two dimensions, i.e., intra-source and inter-source. The intra-source boosting introduces locality to the base learners and enables each base learner to focus on a particular feature regime by training new base learners on granularity-varying error regions. For the inter-source boosting, we leverage a conditional function to indicate the weak source where the sample is more likely to appear. To account for the weak labels, we further design an estimate-then-modify approach to compute the model weights. Experiments on seven datasets show that our method significantly outperforms vanilla boosting methods and other weakly-supervised methods.