Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of research. Currently, there lacks a systematic benchmark tailored to graph OOD method evaluation. In this work, we aim at developing an OOD benchmark, known as GOOD, for graphs specifically. We explicitly make distinctions between covariate and concept shifts and design data splits that accurately reflect different shifts. We consider both graph and node prediction tasks as there are key differences in designing shifts. Overall, GOOD contains 11 datasets with 17 domain selections. When combined with covariate, concept, and no shifts, we obtain 51 different splits. We provide performance results on 10 commonly used baseline methods with 10 random runs.

This is the supplementary information pertaining to the main manuscript. In this supplementary material, we provide the comparative performance of Neurochaos Learning with Deep Neural Network, 1DConvolutional Neural Network (1D CNN), and Long Short term Memory (LSTM) for evaluation of cause-effect classification of timeseries data generated from coupled chaotic master-slave system and autoregressive (AR) processes. We also check whether each of these architectures are able to preserve cause-effect relationship between the corresponding features extracted from the original cause and effect time series. To evaluate the efficacy of Neurochaos Learning (NL: ChaosNet) and deep learning algorithms for the classification of cause-effect, we used simulated datasets from (a) coupled autoregressive (AR) processes, and (b) coupled 1D chaotic skew tent-maps in master-slave configuration. The governing equations for the coupled AR processes are the following: M(t)=a1M(t 1)+γr(t), (1) S(t)=a2S(t 1)+ηM(t 1)+γr(t), (2) where M(t) and S(t) are the independent and the dependent (or the cause and effect) time series respectively; a1 = 0.8, a2 = 0.9, the noise intensity γ = 0.03 and r(t) is independent and identically distributed additive Gaussian noise drawn from a standard normal distribution.

Discovering cause and effect variables from observational data is an important but challenging problem in science and engineering. In this work, a recently proposed brain inspired learning algorithm namely-Neurochaos Learning (NL) is used for the classification of cause and effect time series generated using coupled autoregressive processes, coupled 1D chaotic skew tent maps, coupled 1D chaotic logistic maps and a real-world prey-predator system. In the case of coupled skew tent maps, the proposed method consistently outperforms a five layer Deep Neural Network (DNN) and Long Short Term Memory (LSTM) architecture for unidirectional coupling coefficient values ranging from 0.1 to 0.7. Further, we investigate the preservation of causality in the feature extracted space of NL using Granger Causality for coupled autoregressive processes and Compression-Complexity Causality for coupled chaotic systems and real-world prey-predator dataset. Unlike DNN, LSTM and 1DConvolutional Neural Network, it is found that NL preserves the inherent causal structures present in the input timeseries data. These findings are promising for the theory and applications of causal machine learning and open up the possibility to explore the potential of NL for more sophisticated causal learning tasks.

Monocular 3D object detection (Mono3D) in mobile settings (e.g., on a vehicle, a drone, or a robot) is an important yet challenging task. Due to the near-far disparity phenomenon of monocular vision and the ever-changing camera pose, it is hard to acquire high detection accuracy, especially for far objects. Inspired by the insight that the depth of an object can be well determined according to the depth of the ground where it stands, in this paper, we propose a novel Mono3D framework, called MoGDE, which constantly estimates the corresponding ground depth of an image and then utilizes the estimated ground depth information to guide Mono3D. To this end, we utilize a pose detection network to estimate the pose of the camera and then construct a feature map portraying pixel-level ground depth according to the 3D-to-2D perspective geometry. Moreover, to improve Mono3D with the estimated ground depth, we design an RGB-D feature fusion network based on the transformer structure, where the long-range self-attention mechanism is utilized to effectively identify ground-contacting points and pin the corresponding ground depth to the image feature map.

Despite enormous successful applications of graph neural networks (GNNs), theoretical understanding of their generalization ability, especially for node-level tasks where data are not independent and identically-distributed (IID), has been sparse. The theoretical investigation of the generalization performance is beneficial for understanding fundamental issues (such as fairness) of GNN models and designing better learning methods. In this paper, we present a novel PAC-Bayesian analysis for GNNs under a non-IID semi-supervised learning setup. Moreover, we analyze the generalization performances on different subgroups of unlabeled nodes, which allows us to further study an accuracy-(dis)parity-style (un)fairness of GNNs from a theoretical perspective. Under reasonable assumptions, we demonstrate that the distance between a test subgroup and the training set can be a key factor affecting the GNN performance on that subgroup, which calls special attention to the training node selection for fair learning. Experiments across multiple GNN models and datasets support our theoretical results4.

Pure exploration in multi-armed bandits has emerged as an important framework for modeling decision making and search under uncertainty. In modern applications however, one is often faced with a tremendously large number of options and even obtaining one observation per option may be too costly rendering traditional pure exploration algorithms ineffective. Fortunately, one often has access to similarity relationships amongst the options that can be leveraged. In this paper, we consider the pure exploration problem in stochastic multi-armed bandits where the similarities between the arms is captured by a graph and the rewards may be represented as a smooth signal on this graph. In particular, we consider the problem of finding the arm with the maximum reward (i.e., the maximizing problem) or one that has sufficiently high reward (i.e., the satisficing problem) under this model. We propose novel algorithms GRUB (GRaph based UcB) and ζ-GRUB for these problems and provide theoretical characterization of their performance which specifically elicits the benefit of the graph side information. We also prove a lower bound on the data requirement that shows a large class of problems where these algorithms are near-optimal. We complement our theory with experimental results that show the benefit of capitalizing on such side information.

Recently, research has increasingly focused on developing efficient neural network architectures. In this work, we explore logic gate networks for machine learning tasks by learning combinations of logic gates. These networks comprise logic gates such as ªANDº and ªXORº, which allow for very fast execution. The difficulty in learning logic gate networks is that they are conventionally non-differentiable and therefore do not allow training with gradient descent. Thus, to allow foreffective training, we propose differentiable logic gate networks, an architecture that combines real-valued logics and a continuously parameterized relaxation of the network. The resulting discretized logic gate networks achieve fast inference speeds, e.g., beyond a million images of MNIST per second on a single CPU core.

Knowledge distillation constitutes a simple yet effective way to improve the performance of a compact student network by exploiting the knowledge of a more powerful teacher. Nevertheless, the knowledge distillation literature remains limited to the scenario where the student and the teacher tackle the same task. Here, we investigate the problem of transferring knowledge not only across architectures but also across tasks. To this end, we study the case of object detection and, instead of following the standard detector-to-detector distillation approach, introduce a classifier-to-detector knowledge transfer framework. In particular, we propose strategies to exploit the classification teacher to improve both the detector's recognition accuracy and localization performance. Our experiments on several detectors with different backbones demonstrate the effectiveness of our approach, allowing us to outperform the state-of-the-art detector-to-detector distillation methods.