Out-of-distribution (OOD) generalization is a critical ability for deep learning models in many real-world scenarios including healthcare and autonomous vehicles. Recently, different techniques have been proposed to improve OOD generalization. Among these methods, gradient-based regularizers have shown promising performance compared with other competitors. Despite this success, our understanding of the role of Hessian and gradient alignment in domain generalization is still limited. To address this shortcoming, we analyze the role of the classifier's head Hessian matrix and gradient in domain generalization using recent OOD theory of transferability. Theoretically, we show that spectral norm between the classifier's head Hessian matrices across domains is an upper bound of the transfer measure, a notion of distance between target and source domains. Furthermore, we analyze all the attributes that get aligned when we encourage similarity between Hessians and gradients. Our analysis explains the success of many regularizers like CORAL, IRM, V-REx, Fish, IGA, and Fishr as they regularize part of the classifier's head Hessian and/or gradient. Finally, we propose two simple yet effective methods to match the classifier's head Hessians and gradients in an efficient way, based on the Hessian Gradient Product (HGP) and Hutchinson's method (Hutchinson), and without directly calculating Hessians. We validate the OOD generalization ability of proposed methods in different scenarios, including transferability, severe correlation shift, label shift and diversity shift. Our results show that Hessian alignment methods achieve promising performance on various OOD benchmarks. The code is available at \url{//github.com/huawei-noah/Federated-Learning/tree/main/HessianAlignment}.
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Data augmentation is one of the most effective techniques for regularizing deep learning models and improving their recognition performance in a variety of tasks and domains. However, this holds for standard in-domain settings, in which the training and test data follow the same distribution. For the out-of-domain case, where the test data follow a different and unknown distribution, the best recipe for data augmentation is unclear. In this paper, we show that for out-of-domain and domain generalization settings, data augmentation can provide a conspicuous and robust improvement in performance. To do that, we propose a simple training procedure: (i) use uniform sampling on standard data augmentation transformations; (ii) increase the strength transformations to account for the higher data variance expected when working out-of-domain, and (iii) devise a new reward function to reject extreme transformations that can harm the training. With this procedure, our data augmentation scheme achieves a level of accuracy that is comparable to or better than state-of-the-art methods on benchmark domain generalization datasets. Code: \url{//github.com/Masseeh/DCAug}
For brain tumour segmentation, deep learning models can achieve human expert-level performance given a large amount of data and pixel-level annotations. However, the expensive exercise of obtaining pixel-level annotations for large amounts of data is not always feasible, and performance is often heavily reduced in a low-annotated data regime. To tackle this challenge, we adapt a mixed supervision framework, vMFNet, to learn robust compositional representations using unsupervised learning and weak supervision alongside non-exhaustive pixel-level pathology labels. In particular, we use the BraTS dataset to simulate a collection of 2-point expert pathology annotations indicating the top and bottom slice of the tumour (or tumour sub-regions: peritumoural edema, GD-enhancing tumour, and the necrotic / non-enhancing tumour) in each MRI volume, from which weak image-level labels that indicate the presence or absence of the tumour (or the tumour sub-regions) in the image are constructed. Then, vMFNet models the encoded image features with von-Mises-Fisher (vMF) distributions, via learnable and compositional vMF kernels which capture information about structures in the images. We show that good tumour segmentation performance can be achieved with a large amount of weakly labelled data but only a small amount of fully-annotated data. Interestingly, emergent learning of anatomical structures occurs in the compositional representation even given only supervision relating to pathology (tumour).
Machine learning models need to be continually updated or corrected to ensure that the prediction accuracy remains consistently high. In this study, we consider scenarios where developers should be careful to change the prediction results by the model correction, such as when the model is part of a complex system or software. In such scenarios, the developers want to control the specification of the corrections. To achieve this, the developers need to understand which subpopulations of the inputs get inaccurate predictions by the model. Therefore, we propose correction rule mining to acquire a comprehensive list of rules that describe inaccurate subpopulations and how to correct them. We also develop an efficient correction rule mining algorithm that is a combination of frequent itemset mining and a unique pruning technique for correction rules. We observed that the proposed algorithm found various rules which help to collect data insufficiently learned, directly correct model outputs, and analyze concept drift.
Serving deep learning (DL) models on relational data has become a critical requirement across diverse commercial and scientific domains, sparking growing interest recently. In this visionary paper, we embark on a comprehensive exploration of representative architectures to address the requirement. We highlight three pivotal paradigms: The state-of-the-artDL-Centricarchitecture offloadsDL computations to dedicated DL frameworks. The potential UDF-Centric architecture encapsulates one or more tensor computations into User Defined Functions (UDFs) within the database system. The potentialRelation-Centricarchitecture aims to represent a large-scale tensor computation through relational operators. While each of these architectures demonstrates promise in specific use scenarios, we identify urgent requirements for seamless integration of these architectures and the middle ground between these architectures. We delve into the gaps that impede the integration and explore innovative strategies to close them. We present a pathway to establish a novel database system for enabling a broad class of data-intensive DL inference applications.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.
Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
As a new classification platform, deep learning has recently received increasing attention from researchers and has been successfully applied to many domains. In some domains, like bioinformatics and robotics, it is very difficult to construct a large-scale well-annotated dataset due to the expense of data acquisition and costly annotation, which limits its development. Transfer learning relaxes the hypothesis that the training data must be independent and identically distributed (i.i.d.) with the test data, which motivates us to use transfer learning to solve the problem of insufficient training data. This survey focuses on reviewing the current researches of transfer learning by using deep neural network and its applications. We defined deep transfer learning, category and review the recent research works based on the techniques used in deep transfer learning.
Deep learning has yielded state-of-the-art performance on many natural language processing tasks including named entity recognition (NER). However, this typically requires large amounts of labeled data. In this work, we demonstrate that the amount of labeled training data can be drastically reduced when deep learning is combined with active learning. While active learning is sample-efficient, it can be computationally expensive since it requires iterative retraining. To speed this up, we introduce a lightweight architecture for NER, viz., the CNN-CNN-LSTM model consisting of convolutional character and word encoders and a long short term memory (LSTM) tag decoder. The model achieves nearly state-of-the-art performance on standard datasets for the task while being computationally much more efficient than best performing models. We carry out incremental active learning, during the training process, and are able to nearly match state-of-the-art performance with just 25\% of the original training data.
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