Adversarial training is a standard technique for training adversarially robust models. In this paper, we study adversarial training as an alternating best-response strategy in a 2-player zero-sum game. We prove that even in a simple scenario of a linear classifier and a statistical model that abstracts robust vs. non-robust features, the alternating best response strategy of such game may not converge. On the other hand, a unique pure Nash equilibrium of the game exists and is provably robust. We support our theoretical results with experiments, showing the non-convergence of adversarial training and the robustness of Nash equilibrium.

Since early in the coronavirus disease 2019 (COVID-19) pandemic, there has been interest in using artificial intelligence methods to predict COVID-19 infection status based on vocal audio signals, for example cough recordings. However, existing studies have limitations in terms of data collection and of the assessment of the performances of the proposed predictive models. This paper rigorously assesses state-of-the-art machine learning techniques used to predict COVID-19 infection status based on vocal audio signals, using a dataset collected by the UK Health Security Agency. This dataset includes acoustic recordings and extensive study participant meta-data. We provide guidelines on testing the performance of methods to classify COVID-19 infection status based on acoustic features and we discuss how these can be extended more generally to the development and assessment of predictive methods based on public health datasets.

Federated Learning (FL) under distributed concept drift is a largely unexplored area. Although concept drift is itself a well-studied phenomenon, it poses particular challenges for FL, because drifts arise staggered in time and space (across clients). To the best of our knowledge, this work is the first to explicitly study data heterogeneity in both dimensions. We first demonstrate that prior solutions to drift adaptation that use a single global model are ill-suited to staggered drifts, necessitating multiple-model solutions. We identify the problem of drift adaptation as a time-varying clustering problem, and we propose two new clustering algorithms for reacting to drifts based on local drift detection and hierarchical clustering. Empirical evaluation shows that our solutions achieve significantly higher accuracy than existing baselines, and are comparable to an idealized algorithm with oracle knowledge of the ground-truth clustering of clients to concepts at each time step.

We propose the use of U-statistics to reduce variance for gradient estimation in importance-weighted variational inference. The key observation is that, given a base gradient estimator that requires $m > 1$ samples and a total of $n > m$ samples to be used for estimation, lower variance is achieved by averaging the base estimator on overlapping batches of size $m$ than disjoint batches, as currently done. We use classical U-statistic theory to analyze the variance reduction, and propose novel approximations with theoretical guarantees to ensure computational efficiency. We find empirically that U-statistic variance reduction can lead to modest to significant improvements in inference performance on a range of models, with little computational cost.

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a lack of deep understanding of what additional power they can systematically and provably gain. In this paper, we take a fundamentally different perspective to study the expressive power of GNNs beyond the WL test. Specifically, we introduce a novel class of expressivity metrics via graph biconnectivity and highlight their importance in both theory and practice. As biconnectivity can be easily calculated using simple algorithms that have linear computational costs, it is natural to expect that popular GNNs can learn it easily as well. However, after a thorough review of prior GNN architectures, we surprisingly find that most of them are not expressive for any of these metrics. The only exception is the ESAN framework (Bevilacqua et al., 2022), for which we give a theoretical justification of its power. We proceed to introduce a principled and more efficient approach, called the Generalized Distance Weisfeiler-Lehman (GD-WL), which is provably expressive for all biconnectivity metrics. Practically, we show GD-WL can be implemented by a Transformer-like architecture that preserves expressiveness and enjoys full parallelizability. A set of experiments on both synthetic and real datasets demonstrates that our approach can consistently outperform prior GNN architectures.

Sensors in cyber-physical systems often capture interconnected processes and thus emit correlated time series (CTS), the forecasting of which enables important applications. The key to successful CTS forecasting is to uncover the temporal dynamics of time series and the spatial correlations among time series. Deep learning-based solutions exhibit impressive performance at discerning these aspects. In particular, automated CTS forecasting, where the design of an optimal deep learning architecture is automated, enables forecasting accuracy that surpasses what has been achieved by manual approaches. However, automated CTS solutions remain in their infancy and are only able to find optimal architectures for predefined hyperparameters and scale poorly to large-scale CTS. To overcome these limitations, we propose SEARCH, a joint, scalable framework, to automatically devise effective CTS forecasting models. Specifically, we encode each candidate architecture and accompanying hyperparameters into a joint graph representation. We introduce an efficient Architecture-Hyperparameter Comparator (AHC) to rank all architecture-hyperparameter pairs, and we then further evaluate the top-ranked pairs to select a final result. Extensive experiments on six benchmark datasets demonstrate that SEARCH not only eliminates manual efforts but also is capable of better performance than manually designed and existing automatically designed CTS models. In addition, it shows excellent scalability to large CTS.

The analysis of emotions expressed in text has numerous applications. In contrast to categorical analysis, focused on classifying emotions according to a pre-defined set of common classes, dimensional approaches can offer a more nuanced way to distinguish between different emotions. Still, dimensional methods have been less studied in the literature. Considering a valence-arousal dimensional space, this work assesses the use of pre-trained Transformers to predict these two dimensions on a continuous scale, with input texts from multiple languages and domains. We specifically combined multiple annotated datasets from previous studies, corresponding to either emotional lexica or short text documents, and evaluated models of multiple sizes and trained under different settings. Our results show that model size can have a significant impact on the quality of predictions, and that by fine-tuning a large model we can confidently predict valence and arousal in multiple languages. We make available the code, models, and supporting data.

We propose a graph-oriented attention-based explainability method for tabular data. Tasks involving tabular data have been solved mostly using traditional tree-based machine learning models which have the challenges of feature selection and engineering. With that in mind, we consider a transformer architecture for tabular data, which is amenable to explainability, and present a novel way to leverage self-attention mechanism to provide explanations by taking into account the attention matrices of all layers as a whole. The matrices are mapped to a graph structure where groups of features correspond to nodes and attention values to arcs. By finding the maximum probability paths in the graph, we identify groups of features providing larger contributions to explain the model's predictions. To assess the quality of multi-layer attention-based explanations, we compare them with popular attention-, gradient-, and perturbation-based explanability methods.

Learning energy-based models (EBMs) is known to be difficult especially on discrete data where gradient-based learning strategies cannot be applied directly. Although ratio matching is a sound method to learn discrete EBMs, it suffers from expensive computation and excessive memory requirements, thereby resulting in difficulties in learning EBMs on high-dimensional data. Motivated by these limitations, in this study, we propose ratio matching with gradient-guided importance sampling (RMwGGIS). Particularly, we use the gradient of the energy function w.r.t. the discrete data space to approximately construct the provably optimal proposal distribution, which is subsequently used by importance sampling to efficiently estimate the original ratio matching objective. We perform experiments on density modeling over synthetic discrete data, graph generation, and training Ising models to evaluate our proposed method. The experimental results demonstrate that our method can significantly alleviate the limitations of ratio matching, perform more effectively in practice, and scale to high-dimensional problems. Our implementation is available at https://github.com/divelab/RMwGGIS.

The modelling of relationships between sequences is an important task that enables a wide array of applications, including classical time-series prediction problems in finance [1], and modern machine learning problems in natural language processing [2]. Another class of engineering applications involving sequential relationships are control systems, which study the dependence of a dynamical trajectory on an input control sequence [3]. In general, sequence-to-sequence relationships can be very complex. For example, when the index set for the sequences is infinite, one can understand these relationships as mappings between infinite-dimensional spaces. Thus, traditional modelling techniques are limited in their efficacy, especially when there is little prior knowledge on the system of interest.