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Ensembling a neural network is a widely recognized approach to enhance model performance, estimate uncertainty, and improve robustness in deep supervised learning. However, deep ensembles often come with high computational costs and memory demands. In addition, the efficiency of a deep ensemble is related to diversity among the ensemble members which is challenging for large, over-parameterized deep neural networks. Moreover, ensemble learning has not yet seen such widespread adoption, and it remains a challenging endeavor for self-supervised or unsupervised representation learning. Motivated by these challenges, we present a novel self-supervised training regime that leverages an ensemble of independent sub-networks, complemented by a new loss function designed to encourage diversity. Our method efficiently builds a sub-model ensemble with high diversity, leading to well-calibrated estimates of model uncertainty, all achieved with minimal computational overhead compared to traditional deep self-supervised ensembles. To evaluate the effectiveness of our approach, we conducted extensive experiments across various tasks, including in-distribution generalization, out-of-distribution detection, dataset corruption, and semi-supervised settings. The results demonstrate that our method significantly improves prediction reliability. Our approach not only achieves excellent accuracy but also enhances calibration, surpassing baseline performance across a wide range of self-supervised architectures in computer vision, natural language processing, and genomics data.

The protection of Industrial Control Systems (ICS) that are employed in public critical infrastructures is of utmost importance due to catastrophic physical damages cyberattacks may cause. The research community requires testbeds for validation and comparing various intrusion detection algorithms to protect ICS. However, there exist high barriers to entry for research and education in the ICS cybersecurity domain due to expensive hardware, software, and inherent dangers of manipulating real-world systems. To close the gap, built upon recently developed 3D high-fidelity simulators, we further showcase our integrated framework to automatically launch cyberattacks, collect data, train machine learning models, and evaluate for practical chemical and manufacturing processes. On our testbed, we validate our proposed intrusion detection model called Minimal Threshold and Window SVM (MinTWin SVM) that utilizes unsupervised machine learning via a one-class SVM in combination with a sliding window and classification threshold. Results show that MinTWin SVM minimizes false positives and is responsive to physical process anomalies. Furthermore, we incorporate our framework with ICS cybersecurity education by using our dataset in an undergraduate machine learning course where students gain hands-on experience in practicing machine learning theory with a practical ICS dataset. All of our implementations have been open-sourced.

This paper addresses the problem of localization, which is inherently non-convex and non-smooth in a federated setting where the data is distributed across a multitude of devices. Due to the decentralized nature of federated environments, distributed learning becomes essential for scalability and adaptability. Moreover, these environments are often plagued by outlier data, which presents substantial challenges to conventional methods, particularly in maintaining estimation accuracy and ensuring algorithm convergence. To mitigate these challenges, we propose a method that adopts an $L_1$-norm robust formulation within a distributed sub-gradient framework, explicitly designed to handle these obstacles. Our approach addresses the problem in its original form, without resorting to iterative simplifications or approximations, resulting in enhanced computational efficiency and improved estimation accuracy. We demonstrate that our method converges to a stationary point, highlighting its effectiveness and reliability. Through numerical simulations, we confirm the superior performance of our approach, notably in outlier-rich environments, which surpasses existing state-of-the-art localization methods.

Estimating the state preparation fidelity of highly entangled states on noisy intermediate-scale quantum (NISQ) devices is an important task for benchmarking and application considerations. Unfortunately, exact fidelity measurements quickly become prohibitively expensive, as they scale exponentially as $O(3^N)$ for $N$-qubit states, using full state tomography with measurements in all Pauli bases combinations. However, Somma and others [PhysRevA.74.052302] established that the complexity could be drastically reduced when looking at fidelity lower bounds for states that exhibit symmetries, such as Dicke States and GHZ States. For larger states, these bounds still need to be tight enough to provide reasonable estimations on NISQ devices. For the first time and more than 15 years after the theoretical introduction, we report meaningful lower bounds for the state preparation fidelity of all Dicke States up to $N=10$, and all GHZ states up to $N=20$ on Quantinuum H1 ion-trap systems using efficient implementations of recently proposed scalable circuits for these states. Our achieved lower bounds match or exceed previously reported exact fidelities on superconducting systems for much smaller states. This work provides a path forward to benchmarking entanglement as NISQ devices improve in size and quality.

Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word ambiguity, (2) word synonymity, and (3) dynamic contextual dependency. To address these challenges, we propose a novel GNN-based sparse structure learning model for inductive document classification. Specifically, a document-level graph is initially generated by a disjoint union of sentence-level word co-occurrence graphs. Our model collects a set of trainable edges connecting disjoint words between sentences and employs structure learning to sparsely select edges with dynamic contextual dependencies. Graphs with sparse structures can jointly exploit local and global contextual information in documents through GNNs. For inductive learning, the refined document graph is further fed into a general readout function for graph-level classification and optimization in an end-to-end manner. Extensive experiments on several real-world datasets demonstrate that the proposed model outperforms most state-of-the-art results, and reveal the necessity to learn sparse structures for each document.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Knowledge graphs capture interlinked information between entities and they represent an attractive source of structured information that can be harnessed for recommender systems. However, existing recommender engines use knowledge graphs by manually designing features, do not allow for end-to-end training, or provide poor scalability. Here we propose Knowledge Graph Convolutional Networks (KGCN), an end-to-end trainable framework that harnesses item relationships captured by the knowledge graph to provide better recommendations. Conceptually, KGCN computes user-specific item embeddings by first applying a trainable function that identifies important knowledge graph relations for a given user and then transforming the knowledge graph into a user-specific weighted graph. Then, KGCN applies a graph convolutional neural network that computes an embedding of an item node by propagating and aggregating knowledge graph neighborhood information. Moreover, to provide better inductive bias KGCN uses label smoothness (LS), which provides regularization over edge weights and we prove that it is equivalent to label propagation scheme on a graph. Finally, We unify KGCN and LS regularization, and present a scalable minibatch implementation for KGCN-LS model. Experiments show that KGCN-LS outperforms strong baselines in four datasets. KGCN-LS also achieves great performance in sparse scenarios and is highly scalable with respect to the knowledge graph size.

High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.

Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.

In this paper, we propose the joint learning attention and recurrent neural network (RNN) models for multi-label classification. While approaches based on the use of either model exist (e.g., for the task of image captioning), training such existing network architectures typically require pre-defined label sequences. For multi-label classification, it would be desirable to have a robust inference process, so that the prediction error would not propagate and thus affect the performance. Our proposed model uniquely integrates attention and Long Short Term Memory (LSTM) models, which not only addresses the above problem but also allows one to identify visual objects of interests with varying sizes without the prior knowledge of particular label ordering. More importantly, label co-occurrence information can be jointly exploited by our LSTM model. Finally, by advancing the technique of beam search, prediction of multiple labels can be efficiently achieved by our proposed network model.