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This paper investigates the problem of simultaneously predicting multiple binary responses by utilizing a shared set of covariates. Our approach incorporates machine learning techniques for binary classification, without making assumptions about the underlying observations. Instead, our focus lies on a group of predictors, aiming to identify the one that minimizes prediction error. Unlike previous studies that primarily address estimation error, we directly analyze the prediction error of our method using PAC-Bayesian bounds techniques. In this paper, we introduce a pseudo-Bayesian approach capable of handling incomplete response data. Our strategy is efficiently implemented using the Langevin Monte Carlo method. Through simulation studies and a practical application using real data, we demonstrate the effectiveness of our proposed method, producing comparable or sometimes superior results compared to the current state-of-the-art method.

Hierarchical text classification (HTC) is a challenging subtask of multi-label classification as the labels form a complex hierarchical structure. Existing dual-encoder methods in HTC achieve weak performance gains with huge memory overheads and their structure encoders heavily rely on domain knowledge. Under such observation, we tend to investigate the feasibility of a memory-friendly model with strong generalization capability that could boost the performance of HTC without prior statistics or label semantics. In this paper, we propose Hierarchy-aware Tree Isomorphism Network (HiTIN) to enhance the text representations with only syntactic information of the label hierarchy. Specifically, we convert the label hierarchy into an unweighted tree structure, termed coding tree, with the guidance of structural entropy. Then we design a structure encoder to incorporate hierarchy-aware information in the coding tree into text representations. Besides the text encoder, HiTIN only contains a few multi-layer perceptions and linear transformations, which greatly saves memory. We conduct experiments on three commonly used datasets and the results demonstrate that HiTIN could achieve better test performance and less memory consumption than state-of-the-art (SOTA) methods.

When introducing physics-constrained deep learning solutions to the volumetric super-resolution of scientific data, the training is challenging to converge and always time-consuming. We propose a new hierarchical sampling method based on octree to solve these difficulties. In our approach, scientific data is preprocessed before training, and a hierarchical octree-based data structure is built to guide sampling on the latent context grid. Each leaf node in the octree corresponds to an indivisible subblock of the volumetric data. The dimensions of the subblocks are different, making the number of sample points in each randomly cropped training data block to be adaptive. We reconstruct the octree at intervals according to loss distribution to perform the multi-stage training. With the Rayleigh-B\'enard convection problem, we deploy our method to state-of-the-art models. We constructed adequate experiments to evaluate the training performance and model accuracy of our method. Experiments indicate that our sampling optimization improves the convergence performance of physics-constrained deep learning super-resolution solutions. Furthermore, the sample points and training time are significantly reduced with no drop in model accuracy. We also test our method in training tasks of other deep neural networks, and the results show our sampling optimization has extensive effectiveness and applicability. The code is publicly available at //github.com/xinjiewang/octree-based_sampling.

A mainstream type of current self-supervised learning methods pursues a general-purpose representation that can be well transferred to downstream tasks, typically by optimizing on a given pretext task such as instance discrimination. In this work, we argue that existing pretext tasks inevitably introduce biases into the learned representation, which in turn leads to biased transfer performance on various downstream tasks. To cope with this issue, we propose Maximum Entropy Coding (MEC), a more principled objective that explicitly optimizes on the structure of the representation, so that the learned representation is less biased and thus generalizes better to unseen downstream tasks. Inspired by the principle of maximum entropy in information theory, we hypothesize that a generalizable representation should be the one that admits the maximum entropy among all plausible representations. To make the objective end-to-end trainable, we propose to leverage the minimal coding length in lossy data coding as a computationally tractable surrogate for the entropy, and further derive a scalable reformulation of the objective that allows fast computation. Extensive experiments demonstrate that MEC learns a more generalizable representation than previous methods based on specific pretext tasks. It achieves state-of-the-art performance consistently on various downstream tasks, including not only ImageNet linear probe, but also semi-supervised classification, object detection, instance segmentation, and object tracking. Interestingly, we show that existing batch-wise and feature-wise self-supervised objectives could be seen equivalent to low-order approximations of MEC. Code and pre-trained models are available at //github.com/xinliu20/MEC.

The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive; they need to train vast numbers of candidate networks to inform the search process. This could be alleviated if we could partially predict a network's trained accuracy from its initial state. In this work, we examine the overlap of activations between datapoints in untrained networks and motivate how this can give a measure which is usefully indicative of a network's trained performance. We incorporate this measure into a simple algorithm that allows us to search for powerful networks without any training in a matter of seconds on a single GPU, and verify its effectiveness on NAS-Bench-101, NAS-Bench-201, NATS-Bench, and Network Design Spaces. Our approach can be readily combined with more expensive search methods; we examine a simple adaptation of regularised evolutionary search. Code for reproducing our experiments is available at //github.com/BayesWatch/nas-without-training.

Multi-label text classification refers to the problem of assigning each given document its most relevant labels from the label set. Commonly, the metadata of the given documents and the hierarchy of the labels are available in real-world applications. However, most existing studies focus on only modeling the text information, with a few attempts to utilize either metadata or hierarchy signals, but not both of them. In this paper, we bridge the gap by formalizing the problem of metadata-aware text classification in a large label hierarchy (e.g., with tens of thousands of labels). To address this problem, we present the MATCH solution -- an end-to-end framework that leverages both metadata and hierarchy information. To incorporate metadata, we pre-train the embeddings of text and metadata in the same space and also leverage the fully-connected attentions to capture the interrelations between them. To leverage the label hierarchy, we propose different ways to regularize the parameters and output probability of each child label by its parents. Extensive experiments on two massive text datasets with large-scale label hierarchies demonstrate the effectiveness of MATCH over state-of-the-art deep learning baselines.

Knowledge graph embedding, which aims to represent entities and relations as low dimensional vectors (or matrices, tensors, etc.), has been shown to be a powerful technique for predicting missing links in knowledge graphs. Existing knowledge graph embedding models mainly focus on modeling relation patterns such as symmetry/antisymmetry, inversion, and composition. However, many existing approaches fail to model semantic hierarchies, which are common in real-world applications. To address this challenge, we propose a novel knowledge graph embedding model---namely, Hierarchy-Aware Knowledge Graph Embedding (HAKE)---which maps entities into the polar coordinate system. HAKE is inspired by the fact that concentric circles in the polar coordinate system can naturally reflect the hierarchy. Specifically, the radial coordinate aims to model entities at different levels of the hierarchy, and entities with smaller radii are expected to be at higher levels; the angular coordinate aims to distinguish entities at the same level of the hierarchy, and these entities are expected to have roughly the same radii but different angles. Experiments demonstrate that HAKE can effectively model the semantic hierarchies in knowledge graphs, and significantly outperforms existing state-of-the-art methods on benchmark datasets for the link prediction task.

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.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

Object detection is an important and challenging problem in computer vision. Although the past decade has witnessed major advances in object detection in natural scenes, such successes have been slow to aerial imagery, not only because of the huge variation in the scale, orientation and shape of the object instances on the earth's surface, but also due to the scarcity of well-annotated datasets of objects in aerial scenes. To advance object detection research in Earth Vision, also known as Earth Observation and Remote Sensing, we introduce a large-scale Dataset for Object deTection in Aerial images (DOTA). To this end, we collect $2806$ aerial images from different sensors and platforms. Each image is of the size about 4000-by-4000 pixels and contains objects exhibiting a wide variety of scales, orientations, and shapes. These DOTA images are then annotated by experts in aerial image interpretation using $15$ common object categories. The fully annotated DOTA images contains $188,282$ instances, each of which is labeled by an arbitrary (8 d.o.f.) quadrilateral To build a baseline for object detection in Earth Vision, we evaluate state-of-the-art object detection algorithms on DOTA. Experiments demonstrate that DOTA well represents real Earth Vision applications and are quite challenging.