We first elucidate various fundamental properties of optimal adversarial predictors: the structure of optimal adversarial convex predictors in terms of optimal adversarial zero-one predictors, bounds relating the adversarial convex loss to the adversarial zero-one loss, and the fact that continuous predictors can get arbitrarily close to the optimal adversarial error for both convex and zero-one losses. Applying these results along with new Rademacher complexity bounds for adversarial training near initialization, we prove that for general data distributions and perturbation sets, adversarial training on shallow networks with early stopping and an idealized optimal adversary is able to achieve optimal adversarial test error. By contrast, prior theoretical work either considered specialized data distributions or only provided training error guarantees. Imperceptibly altering the input data in a malicious fashion can dramatically decrease the accuracy of neural networks (Szegedy et al., 2014). To defend against such adversarial attacks, maliciously altered training examples can be incorporated into the training process, encouraging robustness in the final neural network. Differing types of attacks used during this adversarial training, such as FGSM (Goodfellow et al., 2015), PGD (Madry et al., 2019), and the C&W attack (Carlini & Wagner, 2016), which are optimization-based procedures that try to find bad perturbations around the inputs, have been shown to help with robustness. While many other defenses have been proposed (Guo et al., 2017; Dhillon et al., 2018; Xie et al., 2017), adversarial training is the standard approach (Athalye et al., 2018). Despite many advances, a large gap still persists between the accuracies we are able to achieve on non-adversarial and adversarial test sets. For instance, in Madry et al. (2019), a wide ResNet model was able to achieve 95% accuracy on CIFAR-10 with standard training, but only 46% accuracy on CIFAR-10 images with perturbations arising from PGD bounded by 8/255 in each coordinate, even with the benefit of adversarial training. In this work we seek to better understand the optimal adversarial predictors we are trying to achieve, as well as how adversarial training can help us get there. While several recent works have analyzed properties of optimal adversarial zero-one classifiers (Bhagoji et al., 2019; Pydi & Jog, 2020; Awasthi et al., 2021b), in the present work we build off of these analyses to characterize optimal adversarial convex surrogate loss classifiers.

Many applications utilize sensors in mobile devices and machine learning to provide novel services. However, various factors such as different users, devices, and environments impact the performance of such applications, thus making the domain shift (i.e., distributional shift between the training domain and the target domain) a critical issue in mobile sensing. Despite attempts in domain adaptation to solve this challenging problem, their performance is unreliable due to the complex interplay among diverse factors. In principle, the performance uncertainty can be identified and redeemed by performance validation with ground-truth labels. However, it is infeasible for every user to collect high-quality, sufficient labeled data. To address the issue, we present DAPPER (Domain AdaPtation Performance EstimatoR) that estimates the adaptation performance in a target domain with only unlabeled target data. Our key idea is to approximate the model performance based on the mutual information between the model inputs and corresponding outputs. Our evaluation with four real-world sensing datasets compared against six baselines shows that on average, DAPPER outperforms the state-of-the-art baseline by 39.8% in estimation accuracy. Moreover, our on-device experiment shows that DAPPER achieves up to 396X less computation overhead compared with the baselines.

We consider a general online resource allocation model with bandit feedback and time-varying demands. While online resource allocation has been well studied in the literature, most existing works make the strong assumption that the demand arrival process is stationary. In practical applications, such as online advertisement and revenue management, however, this process may be exogenous and non-stationary, like the constantly changing internet traffic. Motivated by the recent Online Algorithms with Advice framework [Mitazenmacher and Vassilvitskii, \emph{Commun. ACM} 2022], we explore how online advice can inform policy design. We establish an impossibility result that any algorithm perform poorly in terms of regret without any advice in our setting. In contrast, we design an robust online algorithm that leverages the online predictions on the total demand volumes. Empowered with online advice, our proposed algorithm is shown to have both theoretical performance and promising numerical results compared with other algorithms in literature. We also provide two explicit examples for the time-varying demand scenarios and derive corresponding theoretical performance guarantees. Finally, we adapt our model to a network revenue management problem, and numerically demonstrate that our algorithm can still performs competitively compared to existing baselines.

In recent years, considerable research has been dedicated to the application of neural models in the field of natural language generation (NLG). The primary objective is to generate text that is both linguistically natural and human-like, while also exerting control over the generation process. This paper offers a comprehensive and task-agnostic survey of the recent advancements in neural text generation. These advancements have been facilitated through a multitude of developments, which we categorize into four key areas: data construction, neural frameworks, training and inference strategies, and evaluation metrics. By examining these different aspects, we aim to provide a holistic overview of the progress made in the field. Furthermore, we explore the future directions for the advancement of neural text generation, which encompass the utilization of neural pipelines and the incorporation of background knowledge. These avenues present promising opportunities to further enhance the capabilities of NLG systems. Overall, this survey serves to consolidate the current state of the art in neural text generation and highlights potential avenues for future research and development in this dynamic field.

Complete verification of deep neural networks (DNNs) can exactly determine whether the DNN satisfies a desired trustworthy property (e.g., robustness, fairness) on an infinite set of inputs or not. Despite the tremendous progress to improve the scalability of complete verifiers over the years on individual DNNs, they are inherently inefficient when a deployed DNN is updated to improve its inference speed or accuracy. The inefficiency is because the expensive verifier needs to be run from scratch on the updated DNN. To improve efficiency, we propose a new, general framework for incremental and complete DNN verification based on the design of novel theory, data structure, and algorithms. Our contributions implemented in a tool named IVAN yield an overall geometric mean speedup of 2.4x for verifying challenging MNIST and CIFAR10 classifiers and a geometric mean speedup of 3.8x for the ACAS-XU classifiers over the state-of-the-art baselines.

Unsupervised domain adaptation is critical to many real-world applications where label information is unavailable in the target domain. In general, without further assumptions, the joint distribution of the features and the label is not identifiable in the target domain. To address this issue, we rely on the property of minimal changes of causal mechanisms across domains to minimize unnecessary influences of distribution shifts. To encode this property, we first formulate the data-generating process using a latent variable model with two partitioned latent subspaces: invariant components whose distributions stay the same across domains and sparse changing components that vary across domains. We further constrain the domain shift to have a restrictive influence on the changing components. Under mild conditions, we show that the latent variables are partially identifiable, from which it follows that the joint distribution of data and labels in the target domain is also identifiable. Given the theoretical insights, we propose a practical domain adaptation framework called iMSDA. Extensive experimental results reveal that iMSDA outperforms state-of-the-art domain adaptation algorithms on benchmark datasets, demonstrating the effectiveness of our framework.

Furthermore, very few methods deal with trying to translate interpretability in biologically relevant terms, such as known pathway cascades. Biological pathways reflecting signalling events or metabolic conversions are Small improvements or modifications of existing algorithms will generally not be suitable, unless novel biological results have been predicted and verified. Determining which pathways are implicated in disease and incorporating such pathway data as prior knowledge may enhance predictive modelling and personalised strategies for diagnosis, treatment and prevention of disease. Results: We propose a novel prior-knowledge-based deep auto-encoding framework, PAAE, together with its accompanying generative variant, PAVAE, for RNA-seq data in cancer. Through comprehensive comparisons among various learning models, we show that, despite having access to a smaller set of features, our PAAE and PAVAE models achieve better out-of-set reconstruction results compared to common methodologies. Furthermore, we compare our model with equivalent baselines on a classification task and show that they achieve better results than models which have access to the full input gene set. Another result is that using vanilla variational frameworks might negatively impact both reconstruction outputs as well as classification performance. Finally, our work directly contributes by providing comprehensive interpretability analyses on our models on top of improving prognostication for translational medicine. Availability and implementation: The source code will be publicly available at https://github.com/phcavelar/

Data heterogeneity across clients is a key challenge in federated learning. Prior works address this by either aligning client and server models or using control variates to correct client model drift. Although these methods achieve fast convergence in convex or simple non-convex problems, the performance in over-parameterized models such as deep neural networks is lacking. In this paper, we first revisit the widely used FedAvg algorithm in a deep neural network to understand how data heterogeneity influences the gradient updates across the neural network layers. We observe that while the feature extraction layers are learned efficiently by FedAvg, the substantial diversity of the final classification layers across clients impedes the performance. Motivated by this, we propose to correct model drift by variance reduction only on the final layers. We demonstrate that this significantly outperforms existing benchmarks at a similar or lower communication cost. We furthermore provide proof for the convergence rate of our algorithm.

Generation of molecules with desired chemical and biological properties such as high drug-likeness, high binding affinity to target proteins, is critical for drug discovery. In this paper, we propose a probabilistic generative model to capture the joint distribution of molecules and their properties. Our model assumes an energy-based model (EBM) in the latent space. Conditional on the latent vector, the molecule and its properties are modeled by a molecule generation model and a property regression model respectively. To search for molecules with desired properties, we propose a sampling with gradual distribution shifting (SGDS) algorithm, so that after learning the model initially on the training data of existing molecules and their properties, the proposed algorithm gradually shifts the model distribution towards the region supported by molecules with desired values of properties. Our experiments show that our method achieves very strong performances on various molecule design tasks.

Identifying molecules that exhibit some pre-specified properties is a difficult problem to solve. In the last few years, deep generative models have been used for molecule generation. Deep Graph Variational Autoencoders are among the most powerful machine learning tools with which it is possible to address this problem. However, existing methods struggle in capturing the true data distribution and tend to be computationally expensive. In this work, we propose RGCVAE, an efficient and effective Graph Variational Autoencoder based on: (i) an encoding network exploiting a new powerful Relational Graph Isomorphism Network; (ii) a novel probabilistic decoding component. Compared to several state-of-the-art VAE methods on two widely adopted datasets, RGCVAE shows state-of-the-art molecule generation performance while being significantly faster to train.