Domain generalization (DG) aims to train a model to perform well in unseen domains under different distributions. This paper considers a more realistic yet more challenging scenario,namely Single Domain Generalization (Single-DG), where only a single source domain is available for training. To tackle this challenge, we first try to understand when neural networks fail to generalize? We empirically ascertain a property of a model that correlates strongly with its generalization that we coin as "model sensitivity". Based on our analysis, we propose a novel strategy of Spectral Adversarial Data Augmentation (SADA) to generate augmented images targeted at the highly sensitive frequencies. Models trained with these hard-to-learn samples can effectively suppress the sensitivity in the frequency space, which leads to improved generalization performance. Extensive experiments on multiple public datasets demonstrate the superiority of our approach, which surpasses the state-of-the-art single-DG methods.
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Data representativity is crucial when drawing inference from data through machine learning models. Scholars have increased focus on unraveling the bias and fairness in models, also in relation to inherent biases in the input data. However, limited work exists on the representativity of samples (datasets) for appropriate inference in AI systems. This paper reviews definitions and notions of a representative sample and surveys their use in scientific AI literature. We introduce three measurable concepts to help focus the notions and evaluate different data samples. Furthermore, we demonstrate that the contrast between a representative sample in the sense of coverage of the input space, versus a representative sample mimicking the distribution of the target population is of particular relevance when building AI systems. Through empirical demonstrations on US Census data, we evaluate the opposing inherent qualities of these concepts. Finally, we propose a framework of questions for creating and documenting data with data representativity in mind, as an addition to existing dataset documentation templates.
As AI-based decision systems proliferate, their successful operationalization requires balancing multiple desiderata: predictive performance, disparity across groups, safeguarding sensitive group attributes (e.g., race), and engineering cost. We present a holistic framework for evaluating and contextualizing fairness interventions with respect to the above desiderata. The two key points of practical consideration are where (pre-, in-, post-processing) and how (in what way the sensitive group data is used) the intervention is introduced. We demonstrate our framework using a thorough benchmarking study on predictive parity; we study close to 400 methodological variations across two major model types (XGBoost vs. Neural Net) and ten datasets. Methodological insights derived from our empirical study inform the practical design of ML workflow with fairness as a central concern. We find predictive parity is difficult to achieve without using group data, and despite requiring group data during model training (but not inference), distributionally robust methods provide significant Pareto improvement. Moreover, a plain XGBoost model often Pareto-dominates neural networks with fairness interventions, highlighting the importance of model inductive bias.
Achieving gender equality is an important pillar for humankind's sustainable future. Pioneering data-driven gender bias research is based on large-scale public records such as scientific papers, patents, and company registrations, covering female researchers, inventors and entrepreneurs, and so on. Since gender information is often missing in relevant datasets, studies rely on tools to infer genders from names. However, available open-sourced Chinese gender-guessing tools are not yet suitable for scientific purposes, which may be partially responsible for female Chinese being underrepresented in mainstream gender bias research and affect their universality. Specifically, these tools focus on character-level information while overlooking the fact that the combinations of Chinese characters in multi-character names, as well as the components and pronunciations of characters, convey important messages. As a first effort, we design a Chinese Heterogeneous Graph Attention (CHGAT) model to capture the heterogeneity in component relationships and incorporate the pronunciations of characters. Our model largely surpasses current tools and also outperforms the state-of-the-art algorithm. Last but not least, the most popular Chinese name-gender dataset is single-character based with far less female coverage from an unreliable source, naturally hindering relevant studies. We open-source a more balanced multi-character dataset from an official source together with our code, hoping to help future research promoting gender equality.
Sensitivity analysis measures the influence of a Bayesian network's parameters on a quantity of interest defined by the network, such as the probability of a variable taking a specific value. Various sensitivity measures have been defined to quantify such influence, most commonly some function of the quantity of interest's partial derivative with respect to the network's conditional probabilities. However, computing these measures in large networks with thousands of parameters can become computationally very expensive. We propose an algorithm combining automatic differentiation and exact inference to efficiently calculate the sensitivity measures in a single pass. It first marginalizes the whole network once, using e.g. variable elimination, and then backpropagates this operation to obtain the gradient with respect to all input parameters. Our method can be used for one-way and multi-way sensitivity analysis and the derivation of admissible regions. Simulation studies highlight the efficiency of our algorithm by scaling it to massive networks with up to 100'000 parameters and investigate the feasibility of generic multi-way analyses. Our routines are also showcased over two medium-sized Bayesian networks: the first modeling the country-risks of a humanitarian crisis, the second studying the relationship between the use of technology and the psychological effects of forced social isolation during the COVID-19 pandemic. An implementation of the methods using the popular machine learning library PyTorch is freely available.
Networked systems that occur in various domains, such as the power grid, the brain, and opinion networks, are known to obey conservation laws. For instance, electric networks obey Kirchoff's laws, and social networks display opinion consensus. Such conservation laws are often modeled as balance equations that relate appropriate injected flows and potentials at the nodes of the networks. A recent line of work considers the problem of estimating the unknown structure of such networked systems from observations of node potentials (and only the knowledge of the statistics of injected flows). Given the dynamic nature of the systems under consideration, an equally important task is estimating the change in the structure of the network from data -- the so called differential network analysis problem. That is, given two sets of node potential observations, the goal is to estimate the structural differences between the underlying networks. We formulate this novel differential network analysis problem for systems obeying conservation laws and devise a convex estimator to learn the edge changes directly from node potentials. We derive conditions under which the estimate is unique in the high-dimensional regime and devise an efficient ADMM-based approach to perform the estimation. Finally, we demonstrate the performance of our approach on synthetic and benchmark power network data.
Graph Neural Networks (GNNs) have gained momentum in graph representation learning and boosted the state of the art in a variety of areas, such as data mining (\emph{e.g.,} social network analysis and recommender systems), computer vision (\emph{e.g.,} object detection and point cloud learning), and natural language processing (\emph{e.g.,} relation extraction and sequence learning), to name a few. With the emergence of Transformers in natural language processing and computer vision, graph Transformers embed a graph structure into the Transformer architecture to overcome the limitations of local neighborhood aggregation while avoiding strict structural inductive biases. In this paper, we present a comprehensive review of GNNs and graph Transformers in computer vision from a task-oriented perspective. Specifically, we divide their applications in computer vision into five categories according to the modality of input data, \emph{i.e.,} 2D natural images, videos, 3D data, vision + language, and medical images. In each category, we further divide the applications according to a set of vision tasks. Such a task-oriented taxonomy allows us to examine how each task is tackled by different GNN-based approaches and how well these approaches perform. Based on the necessary preliminaries, we provide the definitions and challenges of the tasks, in-depth coverage of the representative approaches, as well as discussions regarding insights, limitations, and future directions.
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.
Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.
Conventionally, spatiotemporal modeling network and its complexity are the two most concentrated research topics in video action recognition. Existing state-of-the-art methods have achieved excellent accuracy regardless of the complexity meanwhile efficient spatiotemporal modeling solutions are slightly inferior in performance. In this paper, we attempt to acquire both efficiency and effectiveness simultaneously. First of all, besides traditionally treating H x W x T video frames as space-time signal (viewing from the Height-Width spatial plane), we propose to also model video from the other two Height-Time and Width-Time planes, to capture the dynamics of video thoroughly. Secondly, our model is designed based on 2D CNN backbones and model complexity is well kept in mind by design. Specifically, we introduce a novel multi-view fusion (MVF) module to exploit video dynamics using separable convolution for efficiency. It is a plug-and-play module and can be inserted into off-the-shelf 2D CNNs to form a simple yet effective model called MVFNet. Moreover, MVFNet can be thought of as a generalized video modeling framework and it can specialize to be existing methods such as C2D, SlowOnly, and TSM under different settings. Extensive experiments are conducted on popular benchmarks (i.e., Something-Something V1 & V2, Kinetics, UCF-101, and HMDB-51) to show its superiority. The proposed MVFNet can achieve state-of-the-art performance with 2D CNN's complexity.
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.
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