Graph Attention Network (GAT) and GraphSAGE are neural network architectures that operate on graph-structured data and have been widely studied for link prediction and node classification. One challenge raised by GraphSAGE is how to smartly combine neighbour features based on graph structure. GAT handles this problem through attention, however the challenge with GAT is its scalability over large and dense graphs. In this work, we proposed a new architecture to address these issues that is more efficient and is capable of incorporating different edge type information. It generates node representations by attending to neighbours sampled from weighted multi-step transition probabilities. We conduct experiments on both transductive and inductive settings. Experiments achieved comparable or better results on several graph benchmarks, including the Cora, Citeseer, Pubmed, PPI, Twitter, and YouTube datasets.

Deep neural networks can now perform many tasks that were once thought to be only feasible for humans. Unfortunately, while reaching impressive performance under standard settings, such networks are known to be susceptible to adversarial attacks -- slight but carefully constructed perturbations of the inputs which drastically decrease the network performance and reduce their trustworthiness. Here we propose to improve network robustness to input perturbations via an adversarial training procedure which we call Adversarial Feature Desensitization (AFD). We augment the normal supervised training with an adversarial game between the embedding network and an additional adversarial decoder which is trained to discriminate between the clean and perturbed inputs from their high-level embeddings. Our theoretical and empirical evidence acknowledges the effectiveness of this approach in learning robust features on MNIST, CIFAR10, and CIFAR100 datasets -- substantially improving the state-of-the-art in robust classification against previously observed adversarial attacks. More importantly, we demonstrate that AFD has better generalization ability than previous methods, as the learned features maintain their robustness against a large range of perturbations, including perturbations not seen during training. These results indicate that reducing feature sensitivity using adversarial training is a promising approach for ameliorating the problem of adversarial attacks in deep neural networks.

A common distinction in fair machine learning, in particular in fair classification, is between group fairness and individual fairness. In the context of clustering, group fairness has been studied extensively in recent years; however, individual fairness for clustering has hardly been explored. In this paper, we propose a natural notion of individual fairness for clustering. Our notion asks that every data point, on average, is closer to the points in its own cluster than to the points in any other cluster. We study several questions related to our proposed notion of individual fairness. On the negative side, we show that deciding whether a given data set allows for such an individually fair clustering in general is NP-hard. On the positive side, for the special case of a data set lying on the real line, we propose an efficient dynamic programming approach to find an individually fair clustering. For general data sets, we investigate heuristics aimed at minimizing the number of individual fairness violations and compare them to standard clustering approaches on real data sets.

Historically, machine learning methods have not been designed with security in mind. In turn, this has given rise to adversarial examples, carefully perturbed input samples aimed to mislead detection at test time, which have been applied to attack spam and malware classification, and more recently to attack image classification. Consequently, an abundance of research has been devoted to designing machine learning methods that are robust to adversarial examples. Unfortunately, there are desiderata besides robustness that a secure and safe machine learning model must satisfy, such as fairness and privacy. Recent work by Song et al. (2019) has shown, empirically, that there exists a trade-off between robust and private machine learning models. Models designed to be robust to adversarial examples often overfit on training data to a larger extent than standard (non-robust) models. If a dataset contains private information, then any statistical test that separates training and test data by observing a model's outputs can represent a privacy breach, and if a model overfits on training data, these statistical tests become easier. In this work, we identify settings where standard models will provably overfit to a larger extent in comparison to robust models, and as empirically observed in previous works, settings where the opposite behavior occurs. Thus, it is not necessarily the case that privacy must be sacrificed to achieve robustness. The degree of overfitting naturally depends on the amount of data available for training. We go on to formally characterize how the training set size factors into the privacy risks exposed by training a robust model. Finally, we empirically show our findings hold on image classification benchmark datasets, such as CIFAR-10.

Forecasting stock prices can be interpreted as a time series prediction problem, for which Long Short Term Memory (LSTM) neural networks are often used due to their architecture specifically built to solve such problems. In this paper, we consider the design of a trading strategy that performs portfolio optimization using the LSTM stock price prediction for four different companies. We then customize the loss function used to train the LSTM to increase the profit earned. Moreover, we propose a data driven approach for optimal selection of window length and multi-step prediction length, and consider the addition of analyst calls as technical indicators to a multi-stack Bidirectional LSTM strengthened by the addition of Attention units. We find the LSTM model with the customized loss function to have an improved performance in the training bot over a regressive baseline such as ARIMA, while the addition of analyst call does improve the performance for certain datasets.

Graph neural networks (GNNs) have attracted much attention because of their excellent performance on tasks such as node classification. However, there is inadequate understanding on how and why GNNs work, especially for node representation learning. This paper aims to provide a theoretical framework to understand GNNs, specifically, spectral graph convolutional networks and graph attention networks, from graph signal denoising perspectives. Our framework shows that GNNs are implicitly solving graph signal denoising problems: spectral graph convolutions work as denoising node features, while graph attentions work as denoising edge weights. We also show that a linear self-attention mechanism is able to compete with the state-of-the-art graph attention methods. Our theoretical results further lead to two new models, GSDN-F and GSDN-EF, which work effectively for graphs with noisy node features and/or noisy edges. We validate our theoretical findings and also the effectiveness of our new models by experiments on benchmark datasets. The source code is available at \url{https://github.com/fuguoji/GSDN}.

We present a neural network architecture that is fully equivariant with respect to transformations under the Lorentz group, a fundamental symmetry of space and time in physics. The architecture is based on the theory of the finite-dimensional representations of the Lorentz group and the equivariant nonlinearity involves the tensor product. For classification tasks in particle physics, we demonstrate that such an equivariant architecture leads to drastically simpler models that have relatively few learnable parameters and are much more physically interpretable than leading approaches that use CNNs and point cloud approaches. The competitive performance of the network is demonstrated on a public classification dataset [27] for tagging top quark decays given energy-momenta of jet constituents produced in proton-proton collisions.

A novel algorithm is proposed to solve the sample-based optimal transport problem. An adversarial formulation of the push-forward condition uses a test function built as a convolution between an adaptive kernel and an evolving probability distribution $\nu$ over a latent variable $b$. Approximating this convolution by its simulation over evolving samples $b^i(t)$ of $\nu$, the parameterization of the test function reduces to determining the flow of these samples. This flow, discretized over discrete time steps $t_n$, is built from the composition of elementary maps. The optimal transport also follows a flow that, by duality, must follow the gradient of the test function. The representation of the test function as the Monte Carlo simulation of a distribution makes the algorithm robust to dimensionality, and its evolution under a memory-less flow produces rich, complex maps from simple parametric transformations. The algorithm is illustrated with numerical examples.

Label spreading is a general technique for semi-supervised learning with point cloud or network data, which can be interpreted as a diffusion of labels on a graph. While there are many variants of label spreading, nearly all of them are linear models, where the incoming information to a node is a weighted sum of information from neighboring nodes. Here, we add nonlinearity to label spreading through nonlinear functions of higher-order structure in the graph, namely triangles in the graph. For a broad class of nonlinear functions, we prove convergence of our nonlinear higher-order label spreading algorithm to the global solution of a constrained semi-supervised loss function. We demonstrate the efficiency and efficacy of our approach on a variety of point cloud and network datasets, where the nonlinear higher-order model compares favorably to classical label spreading, as well as hypergraph models and graph neural networks.

Transformer networks use pairwise attention to compute contextual embeddings of inputs, and have redefined the state of the art in many NLP tasks. However, these models suffer from quadratic computational cost in the input sequence length $n$ to compute attention in each layer. This has prompted recent research into faster attention models, with a predominant approach involving sparsifying the connections in the attention layers. While empirically promising for long sequences, fundamental questions remain unanswered: Can sparse transformers approximate any arbitrary sequence-to-sequence function, similar to their dense counterparts? How does the sparsity pattern and the sparsity level affect their performance? In this paper, we address these questions and provide a unifying framework that captures existing sparse attention models. Our analysis proposes sufficient conditions under which we prove that a sparse attention model can universally approximate any sequence-to-sequence function. Surprisingly, our results show the existence of models with only $O(n)$ connections per attention layer that can approximate the same function class as the dense model with $n^2$ connections. Lastly, we present experiments comparing different patterns/levels of sparsity on standard NLP tasks.