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Computational tools for rigorously verifying the performance of large-scale machine learning (ML) models have progressed significantly in recent years. The most successful solvers employ highly specialized, GPU-accelerated branch and bound routines. Such tools are crucial for the successful deployment of machine learning applications in safety-critical systems, such as power systems. Despite their successes, however, barriers prevent out-of-the-box application of these routines to power system problems. This paper addresses this issue in two key ways. First, for the first time to our knowledge, we enable the simultaneous verification of multiple verification problems (e.g., checking for the violation of all line flow constraints simultaneously and not by solving individual verification problems). For that, we introduce an exact transformation that converts the "worst-case" violation across a set of potential violations to a series of ReLU-based layers that augment the original neural network. This allows verifiers to interpret them directly. Second, power system ML models often must be verified to satisfy power flow constraints. We propose a dualization procedure which encodes linear equality and inequality constraints directly into the verification problem; and in a manner which is mathematically consistent with the specialized verification tools. To demonstrate these innovations, we verify problems associated with data-driven security constrained DC-OPF solvers. We build and test our first set of innovations using the $\alpha,\beta$-CROWN solver, and we benchmark against Gurobi 10.0. Our contributions achieve a speedup that can exceed 100x and allow higher degrees of verification flexibility.

Conformer-based models have become the dominant end-to-end architecture for speech processing tasks. With the objective of enhancing the conformer architecture for efficient training and inference, we carefully redesigned Conformer with a novel downsampling schema. The proposed model, named Fast Conformer(FC), is 2.8x faster than the original Conformer, supports scaling to Billion parameters without any changes to the core architecture and also achieves state-of-the-art accuracy on Automatic Speech Recognition benchmarks. To enable transcription of long-form speech up to 11 hours, we replaced global attention with limited context attention post-training, while also improving accuracy through fine-tuning with the addition of a global token. Fast Conformer, when combined with a Transformer decoder also outperforms the original Conformer in accuracy and in speed for Speech Translation and Spoken Language Understanding.

Anomaly detection (AD) tasks have been solved using machine learning algorithms in various domains and applications. The great majority of these algorithms use normal data to train a residual-based model, and assign anomaly scores to unseen samples based on their dissimilarity with the learned normal regime. The underlying assumption of these approaches is that anomaly-free data is available for training. This is, however, often not the case in real-world operational settings, where the training data may be contaminated with a certain fraction of abnormal samples. Training with contaminated data, in turn, inevitably leads to a deteriorated AD performance of the residual-based algorithms. In this paper we introduce a framework for a fully unsupervised refinement of contaminated training data for AD tasks. The framework is generic and can be applied to any residual-based machine learning model. We demonstrate the application of the framework to two public datasets of multivariate time series machine data from different application fields. We show its clear superiority over the naive approach of training with contaminated data without refinement. Moreover, we compare it to the ideal, unrealistic reference in which anomaly-free data would be available for training. Since the approach exploits information from the anomalies, and not only from the normal regime, it is comparable and often outperforms the ideal baseline as well.

Hyperparameter optimization (HPO) is important to leverage the full potential of machine learning (ML). In practice, users are often interested in multi-objective (MO) problems, i.e., optimizing potentially conflicting objectives, like accuracy and energy consumption. To tackle this, the vast majority of MO-ML algorithms return a Pareto front of non-dominated machine learning models to the user. Optimizing the hyperparameters of such algorithms is non-trivial as evaluating a hyperparameter configuration entails evaluating the quality of the resulting Pareto front. In literature, there are known indicators that assess the quality of a Pareto front (e.g., hypervolume, R2) by quantifying different properties (e.g., volume, proximity to a reference point). However, choosing the indicator that leads to the desired Pareto front might be a hard task for a user. In this paper, we propose a human-centered interactive HPO approach tailored towards multi-objective ML leveraging preference learning to extract desiderata from users that guide the optimization. Instead of relying on the user guessing the most suitable indicator for their needs, our approach automatically learns an appropriate indicator. Concretely, we leverage pairwise comparisons of distinct Pareto fronts to learn such an appropriate quality indicator. Then, we optimize the hyperparameters of the underlying MO-ML algorithm towards this learned indicator using a state-of-the-art HPO approach. In an experimental study targeting the environmental impact of ML, we demonstrate that our approach leads to substantially better Pareto fronts compared to optimizing based on a wrong indicator pre-selected by the user, and performs comparable in the case of an advanced user knowing which indicator to pick.

In surgical computer vision applications, obtaining labeled training data is challenging due to data-privacy concerns and the need for expert annotation. Unpaired image-to-image translation techniques have been explored to automatically generate large annotated datasets by translating synthetic images to the realistic domain. However, preserving the structure and semantic consistency between the input and translated images presents significant challenges, mainly when there is a distributional mismatch in the semantic characteristics of the domains. This study empirically investigates unpaired image translation methods for generating suitable data in surgical applications, explicitly focusing on semantic consistency. We extensively evaluate various state-of-the-art image translation models on two challenging surgical datasets and downstream semantic segmentation tasks. We find that a simple combination of structural-similarity loss and contrastive learning yields the most promising results. Quantitatively, we show that the data generated with this approach yields higher semantic consistency and can be used more effectively as training data.

Current state-of-the-art (SOTA) methods in visual object tracking often require extensive computational resources and vast amounts of training data, leading to a risk of overfitting. This study introduces a more efficient training strategy to mitigate overfitting and reduce computational requirements. We balance the training process with a mix of negative and positive samples from the outset, named as Joint learning with Negative samples (JN). Negative samples refer to scenarios where the object from the template is not present in the search region, which helps to prevent the model from simply memorizing the target, and instead encourages it to use the template for object location. To handle the negative samples effectively, we adopt a distribution-based head, which modeling the bounding box as distribution of distances to express uncertainty about the target's location in the presence of negative samples, offering an efficient way to manage the mixed sample training. Furthermore, our approach introduces a target-indicating token. It encapsulates the target's precise location within the template image. This method provides exact boundary details with negligible computational cost but improving performance. Our model, JN-256, exhibits superior performance on challenging benchmarks, achieving 75.8% AO on GOT-10k and 84.1% AUC on TrackingNet. Notably, JN-256 outperforms previous SOTA trackers that utilize larger models and higher input resolutions, even though it is trained with only half the number of data sampled used in those works.

Graph neural networks (GNNs) have achieved tremendous success in the task of graph classification and its diverse downstream real-world applications. Despite the huge success in learning graph representations, current GNN models have demonstrated their vulnerability to potentially existent adversarial examples on graph-structured data. Existing approaches are either limited to structure attacks or restricted to local information, urging for the design of a more general attack framework on graph classification, which faces significant challenges due to the complexity of generating local-node-level adversarial examples using the global-graph-level information. To address this "global-to-local" attack challenge, we present a novel and general framework to generate adversarial examples via manipulating graph structure and node features. Specifically, we make use of Graph Class Activation Mapping and its variant to produce node-level importance corresponding to the graph classification task. Then through a heuristic design of algorithms, we can perform both feature and structure attacks under unnoticeable perturbation budgets with the help of both node-level and subgraph-level importance. Experiments towards attacking four state-of-the-art graph classification models on six real-world benchmarks verify the flexibility and effectiveness of our framework.

Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.

Translational distance-based knowledge graph embedding has shown progressive improvements on the link prediction task, from TransE to the latest state-of-the-art RotatE. However, N-1, 1-N and N-N predictions still remain challenging. In this work, we propose a novel translational distance-based approach for knowledge graph link prediction. The proposed method includes two-folds, first we extend the RotatE from 2D complex domain to high dimension space with orthogonal transforms to model relations for better modeling capacity. Second, the graph context is explicitly modeled via two directed context representations. These context representations are used as part of the distance scoring function to measure the plausibility of the triples during training and inference. The proposed approach effectively improves prediction accuracy on the difficult N-1, 1-N and N-N cases for knowledge graph link prediction task. The experimental results show that it achieves better performance on two benchmark data sets compared to the baseline RotatE, especially on data set (FB15k-237) with many high in-degree connection nodes.

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.