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Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the decision-making processes. A popular paradigm for the explainability of GNNs is to identify explainable subgraphs by comparing their labels with the ones of original graphs. This task is challenging due to the substantial distributional shift from the original graphs in the training set to the set of explainable subgraphs, which prevents accurate prediction of labels with the subgraphs. To address it, in this paper, we propose a novel method that generates proxy graphs for explainable subgraphs that are in the distribution of training data. We introduce a parametric method that employs graph generators to produce proxy graphs. A new training objective based on information theory is designed to ensure that proxy graphs not only adhere to the distribution of training data but also preserve explanatory factors. Such generated proxy graphs can be reliably used to approximate the predictions of the labels of explainable subgraphs. Empirical evaluations across various datasets demonstrate our method achieves more accurate explanations for GNNs.

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Machine learning models, in particular deep neural networks, are currently an integral part of various applications, from healthcare to finance. However, using sensitive data to train these models raises concerns about privacy and security. One method that has emerged to verify if the trained models are privacy-preserving is Membership Inference Attacks (MIA), which allows adversaries to determine whether a specific data point was part of a model's training dataset. While a series of MIAs have been proposed in the literature, only a few can achieve high True Positive Rates (TPR) in the low False Positive Rate (FPR) region (0.01%~1%). This is a crucial factor to consider for an MIA to be practically useful in real-world settings. In this paper, we present a novel approach to MIA that is aimed at significantly improving TPR at low FPRs. Our method, named learning-based difficulty calibration for MIA(LDC-MIA), characterizes data records by their hardness levels using a neural network classifier to determine membership. The experiment results show that LDC-MIA can improve TPR at low FPR by up to 4x compared to the other difficulty calibration based MIAs. It also has the highest Area Under ROC curve (AUC) across all datasets. Our method's cost is comparable with most of the existing MIAs, but is orders of magnitude more efficient than one of the state-of-the-art methods, LiRA, while achieving similar performance.

Large Language Models (LLMs) have demonstrated remarkable proficiency in human interactions, yet their application within the medical field remains insufficiently explored. Previous works mainly focus on the performance of medical knowledge with examinations, which is far from the realistic scenarios, falling short in assessing the abilities of LLMs on clinical tasks. In the quest to enhance the application of Large Language Models (LLMs) in healthcare, this paper introduces the Automated Interactive Evaluation (AIE) framework and the State-Aware Patient Simulator (SAPS), targeting the gap between traditional LLM evaluations and the nuanced demands of clinical practice. Unlike prior methods that rely on static medical knowledge assessments, AIE and SAPS provide a dynamic, realistic platform for assessing LLMs through multi-turn doctor-patient simulations. This approach offers a closer approximation to real clinical scenarios and allows for a detailed analysis of LLM behaviors in response to complex patient interactions. Our extensive experimental validation demonstrates the effectiveness of the AIE framework, with outcomes that align well with human evaluations, underscoring its potential to revolutionize medical LLM testing for improved healthcare delivery.

In Information Retrieval, and more generally in Natural Language Processing, adapting models to specific domains is conducted through fine-tuning. Despite the successes achieved by this method and its versatility, the need for human-curated and labeled data makes it impractical to transfer to new tasks, domains, and/or languages when training data doesn't exist. Using the model without training (zero-shot) is another option that however suffers an effectiveness cost, especially in the case of first-stage retrievers. Numerous research directions have emerged to tackle these issues, most of them in the context of adapting to a task or a language. However, the literature is scarcer for domain (or topic) adaptation. In this paper, we address this issue of cross-topic discrepancy for a sparse first-stage retriever by transposing a method initially designed for language adaptation. By leveraging pre-training on the target data to learn domain-specific knowledge, this technique alleviates the need for annotated data and expands the scope of domain adaptation. Despite their relatively good generalization ability, we show that even sparse retrievers can benefit from our simple domain adaptation method.

Training a deep neural network (DNN) requires substantial computational and memory requirements. It is common to use multiple devices to train a DNN to reduce the overall training time. There are several choices to parallelize each layer in a DNN. Exhaustively searching this list to find an optimal parallelization strategy is prohibitively time consuming and impractical. The standard practice is to use data parallelism because of its simplicity. However, data parallelism is often sub-optimal, and suffers from poor performance and high memory requirement. Expert-designed strategies have been proposed on a case-by-case basis using domain specific knowledge. These expert-designed strategies do not generalize well to DNNs other than the ones for which they were designed, and are not always necessarily the best choice. In this paper, we propose an approach to automatically find efficient parallelization strategies for DNNs from their computation graphs. We present an efficient algorithm to compute these strategies within a reasonable time in practice. We evaluate the effectiveness of our approach on various DNNs. We also compare the performance of the strategies identified by our approach against data parallelism, expert-designed strategies, and the state-of-the-art approaches. Our results show that the strategies found using our approach outperform the baseline data parallelism strategy in all the cases. In addition, our strategies achieve better performance than the expert-designed strategies and the state-of-the-art approaches.

Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.

Approaches based on deep neural networks have achieved striking performance when testing data and training data share similar distribution, but can significantly fail otherwise. Therefore, eliminating the impact of distribution shifts between training and testing data is crucial for building performance-promising deep models. Conventional methods assume either the known heterogeneity of training data (e.g. domain labels) or the approximately equal capacities of different domains. In this paper, we consider a more challenging case where neither of the above assumptions holds. We propose to address this problem by removing the dependencies between features via learning weights for training samples, which helps deep models get rid of spurious correlations and, in turn, concentrate more on the true connection between discriminative features and labels. Extensive experiments clearly demonstrate the effectiveness of our method on multiple distribution generalization benchmarks compared with state-of-the-art counterparts. Through extensive experiments on distribution generalization benchmarks including PACS, VLCS, MNIST-M, and NICO, we show the effectiveness of our method compared with state-of-the-art counterparts.

Graph Neural Networks (GNNs) are widely used for analyzing graph-structured data. Most GNN methods are highly sensitive to the quality of graph structures and usually require a perfect graph structure for learning informative embeddings. However, the pervasiveness of noise in graphs necessitates learning robust representations for real-world problems. To improve the robustness of GNN models, many studies have been proposed around the central concept of Graph Structure Learning (GSL), which aims to jointly learn an optimized graph structure and corresponding representations. Towards this end, in the presented survey, we broadly review recent progress of GSL methods for learning robust representations. Specifically, we first formulate a general paradigm of GSL, and then review state-of-the-art methods classified by how they model graph structures, followed by applications that incorporate the idea of GSL in other graph tasks. Finally, we point out some issues in current studies and discuss future directions.

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize from few samples, GNN usually suffers from severe over-fitting and over-smoothing as the model becomes deep, which limit the model scalability. In this work, we propose a novel Attentive GNN to tackle these challenges, by incorporating a triple-attention mechanism, \ie node self-attention, neighborhood attention, and layer memory attention. We explain why the proposed attentive modules can improve GNN for few-shot learning with theoretical analysis and illustrations. Extensive experiments show that the proposed Attentive GNN outperforms the state-of-the-art GNN-based methods for few-shot learning over the mini-ImageNet and Tiered-ImageNet datasets, with both inductive and transductive settings.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Graph Neural Networks (GNNs) have recently been used for node and graph classification tasks with great success, but GNNs model dependencies among the attributes of nearby neighboring nodes rather than dependencies among observed node labels. In this work, we consider the task of inductive node classification using GNNs in supervised and semi-supervised settings, with the goal of incorporating label dependencies. Because current GNNs are not universal (i.e., most-expressive) graph representations, we propose a general collective learning approach to increase the representation power of any existing GNN. Our framework combines ideas from collective classification with self-supervised learning, and uses a Monte Carlo approach to sampling embeddings for inductive learning across graphs. We evaluate performance on five real-world network datasets and demonstrate consistent, significant improvement in node classification accuracy, for a variety of state-of-the-art GNNs.

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