Convex Bounds on the Softmax Function with Applications to Robustness Verification

The softmax function is a ubiquitous component at the output of neural networks and increasingly in intermediate layers as well. This paper provides convex lower bounds and concave upper bounds on the softmax function, which are compatible with convex optimization formulations for characterizing neural networks and other ML models. We derive bounds using both a natural exponential-reciprocal decomposition of the softmax as well as an alternative decomposition in terms of the log-sum-exp function. The new bounds are provably and/or numerically tighter than linear bounds obtained in previous work on robustness verification of transformers. As illustrations of the utility of the bounds, we apply them to verification of transformers as well as of the robustness of predictive uncertainty estimates of deep ensembles.

Label-efficient Time Series Representation Learning: A Review

The scarcity of labeled data is one of the main challenges of applying deep learning models on time series data in the real world. Therefore, several approaches, e.g., transfer learning, self-supervised learning, and semi-supervised learning, have been recently developed to promote the learning capability of deep learning models from the limited time series labels. In this survey, for the first time, we provide a novel taxonomy to categorize existing approaches that address the scarcity of labeled data problem in time series data based on their reliance on external data sources. Moreover, we present a review of the recent advances in each approach and conclude the limitations of the current works and provide future directions that could yield better progress in the field.

Traceable Automatic Feature Transformation via Cascading Actor-Critic Agents

Feature transformation for AI is an essential task to boost the effectiveness and interpretability of machine learning (ML). Feature transformation aims to transform original data to identify an optimal feature space that enhances the performances of a downstream ML model. Existing studies either combines preprocessing, feature selection, and generation skills to empirically transform data, or automate feature transformation by machine intelligence, such as reinforcement learning. However, existing studies suffer from: 1) high-dimensional non-discriminative feature space; 2) inability to represent complex situational states; 3) inefficiency in integrating local and global feature information. To fill the research gap, we formulate the feature transformation task as an iterative, nested process of feature generation and selection, where feature generation is to generate and add new features based on original features, and feature selection is to remove redundant features to control the size of feature space. Finally, we present extensive experiments and case studies to illustrate 24.7\% improvements in F1 scores compared with SOTAs and robustness in high-dimensional data.

On the Probability of Necessity and Sufficiency of Explaining Graph Neural Networks: A Lower Bound Optimization Approach

Explainability of Graph Neural Networks (GNNs) is critical to various GNN applications but remains an open challenge. A convincing explanation should be both necessary and sufficient simultaneously. However, existing GNN explaining approaches focus on only one of the two aspects, necessity or sufficiency, or a trade-off between the two. To search for the most necessary and sufficient explanation, the Probability of Necessity and Sufficiency (PNS) can be applied since it can mathematically quantify the necessity and sufficiency of an explanation. Nevertheless, the difficulty of obtaining PNS due to non-monotonicity and the challenge of counterfactual estimation limits its wide use. To address the non-identifiability of PNS, we resort to a lower bound of PNS that can be optimized via counterfactual estimation, and propose Necessary and Sufficient Explanation for GNN (NSEG) via optimizing that lower bound. Specifically, we employ nearest neighbor matching to generate counterfactual samples for the features, which is different from the random perturbation. In particular, NSEG combines the edges and node features to generate an explanation, where the common edge explanation is a special case of the combined explanation. Empirical study shows that NSEG achieves excellent performance in generating the most necessary and sufficient explanations among a series of state-of-the-art methods.

VeriX: Towards Verified Explainability of Deep Neural Networks

We present VeriX, a first step towards verified explainability of machine learning models in safety-critical applications. Specifically, our sound and optimal explanations can guarantee prediction invariance against bounded perturbations. We utilise constraint solving techniques together with feature sensitivity ranking to efficiently compute these explanations. We evaluate our approach on image recognition benchmarks and a real-world scenario of autonomous aircraft taxiing.

CoTMix: Contrastive Domain Adaptation for Time-Series via Temporal Mixup

Unsupervised Domain Adaptation (UDA) has emerged as a powerful solution for the domain shift problem via transferring the knowledge from a labeled source domain to a shifted unlabeled target domain. Despite the prevalence of UDA for visual applications, it remains relatively less explored for time-series applications. In this work, we propose a novel lightweight contrastive domain adaptation framework called CoTMix for time-series data. Unlike existing approaches that either use statistical distances or adversarial techniques, we leverage contrastive learning solely to mitigate the distribution shift across the different domains. Specifically, we propose a novel temporal mixup strategy to generate two intermediate augmented views for the source and target domains. Subsequently, we leverage contrastive learning to maximize the similarity between each domain and its corresponding augmented view. The generated views consider the temporal dynamics of time-series data during the adaptation process while inheriting the semantics among the two domains. Hence, we gradually push both domains towards a common intermediate space, mitigating the distribution shift across them. Extensive experiments conducted on four real-world time-series datasets show that our approach can significantly outperform all state-of-the-art UDA methods. The implementation code of CoTMix is available at \href{https://github.com/emadeldeen24/CoTMix}{github.com/emadeldeen24/CoTMix}.

Self-supervised Learning for Label-Efficient Sleep Stage Classification: A Comprehensive Evaluation

The past few years have witnessed a remarkable advance in deep learning for EEG-based sleep stage classification (SSC). However, the success of these models is attributed to possessing a massive amount of labeled data for training, limiting their applicability in real-world scenarios. In such scenarios, sleep labs can generate a massive amount of data, but labeling these data can be expensive and time-consuming. Recently, the self-supervised learning (SSL) paradigm has shined as one of the most successful techniques to overcome the scarcity of labeled data. In this paper, we evaluate the efficacy of SSL to boost the performance of existing SSC models in the few-labels regime. We conduct a thorough study on three SSC datasets, and we find that fine-tuning the pretrained SSC models with only 5% of labeled data can achieve competitive performance to the supervised training with full labels. Moreover, self-supervised pretraining helps SSC models to be more robust to data imbalance and domain shift problems. The code is publicly available at \url{https://github.com/emadeldeen24/eval_ssl_ssc}.

Hierarchical MixUp Multi-label Classification with Imbalanced Interdisciplinary Research Proposals

Funding agencies are largely relied on a topic matching between domain experts and research proposals to assign proposal reviewers. As proposals are increasingly interdisciplinary, it is challenging to profile the interdisciplinary nature of a proposal, and, thereafter, find expert reviewers with an appropriate set of expertise. An essential step in solving this challenge is to accurately model and classify the interdisciplinary labels of a proposal. Existing methodological and application-related literature, such as textual classification and proposal classification, are insufficient in jointly addressing the three key unique issues introduced by interdisciplinary proposal data: 1) the hierarchical structure of discipline labels of a proposal from coarse-grain to fine-grain, e.g., from information science to AI to fundamentals of AI. 2) the heterogeneous semantics of various main textual parts that play different roles in a proposal; 3) the number of proposals is imbalanced between non-interdisciplinary and interdisciplinary research. Can we simultaneously address the three issues in understanding the proposal's interdisciplinary nature? In response to this question, we propose a hierarchical mixup multiple-label classification framework, which we called H-MixUp. H-MixUp leverages a transformer-based semantic information extractor and a GCN-based interdisciplinary knowledge extractor for the first and second issues. H-MixUp develops a fused training method of Wold-level MixUp, Word-level CutMix, Manifold MixUp, and Document-level MixUp to address the third issue.

Self-Optimizing Feature Transformation

Feature transformation aims to extract a good representation (feature) space by mathematically transforming existing features. It is crucial to address the curse of dimensionality, enhance model generalization, overcome data sparsity, and expand the availability of classic models. Current research focuses on domain knowledge-based feature engineering or learning latent representations; nevertheless, these methods are not entirely automated and cannot produce a traceable and optimal representation space. When rebuilding a feature space for a machine learning task, can these limitations be addressed concurrently? In this extension study, we present a self-optimizing framework for feature transformation. To achieve a better performance, we improved the preliminary work by (1) obtaining an advanced state representation for enabling reinforced agents to comprehend the current feature set better; and (2) resolving Q-value overestimation in reinforced agents for learning unbiased and effective policies. Finally, to make experiments more convincing than the preliminary work, we conclude by adding the outlier detection task with five datasets, evaluating various state representation approaches, and comparing different training strategies. Extensive experiments and case studies show that our work is more effective and superior.