We propose a novel contextual bandit algorithm for generalized linear rewards with an $\tilde{O}(\sqrt{\kappa^{-1} \phi T})$ regret over $T$ rounds where $\phi$ is the minimum eigenvalue of the covariance of contexts and $\kappa$ is a lower bound of the variance of rewards. In several practical cases where $\phi=O(d)$, our result is the first regret bound for generalized linear model (GLM) bandits with the order $\sqrt{d}$ without relying on the approach of Auer [2002]. We achieve this bound using a novel estimator called double doubly-robust (DDR) estimator, a subclass of doubly-robust (DR) estimator but with a tighter error bound. The approach of Auer [2002] achieves independence by discarding the observed rewards, whereas our algorithm achieves independence considering all contexts using our DDR estimator. We also provide an $O(\kappa^{-1} \phi \log (NT) \log T)$ regret bound for $N$ arms under a probabilistic margin condition. Regret bounds under the margin condition are given by Bastani and Bayati [2020] and Bastani et al. [2021] under the setting that contexts are common to all arms but coefficients are arm-specific. When contexts are different for all arms but coefficients are common, ours is the first regret bound under the margin condition for linear models or GLMs. We conduct empirical studies using synthetic data and real examples, demonstrating the effectiveness of our algorithm.

Clustering is a widely used technique with a long and rich history in a variety of areas. However, most existing algorithms do not scale well to large datasets, or are missing theoretical guarantees of convergence. This paper introduces a provably robust clustering algorithm based on loss minimization that performs well on Gaussian mixture models with outliers. It provides theoretical guarantees that the algorithm obtains high accuracy with high probability under certain assumptions. Moreover, it can also be used as an initialization strategy for $k$-means clustering. Experiments on real-world large-scale datasets demonstrate the effectiveness of the algorithm when clustering a large number of clusters, and a $k$-means algorithm initialized by the algorithm outperforms many of the classic clustering methods in both speed and accuracy, while scaling well to large datasets such as ImageNet.

Time series forecasting (TSF) has been a challenging research area, and various models have been developed to address this task. However, almost all these models are trained with numerical time series data, which is not as effectively processed by the neural system as visual information. To address this challenge, this paper proposes a novel machine vision assisted deep time series analysis (MV-DTSA) framework. The MV-DTSA framework operates by analyzing time series data in a novel binary machine vision time series metric space, which includes a mapping and an inverse mapping function from the numerical time series space to the binary machine vision space, and a deep machine vision model designed to address the TSF task in the binary space. A comprehensive computational analysis demonstrates that the proposed MV-DTSA framework outperforms state-of-the-art deep TSF models, without requiring sophisticated data decomposition or model customization. The code for our framework is accessible at https://github.com/IkeYang/

Many mathematical convergence results for gradient descent (GD) based algorithms employ the assumption that the GD process is (almost surely) bounded and, also in concrete numerical simulations, divergence of the GD process may slow down, or even completely rule out, convergence of the error function. In practical relevant learning problems, it thus seems to be advisable to design the ANN architectures in a way so that GD optimization processes remain bounded. The property of the boundedness of GD processes for a given learning problem seems, however, to be closely related to the existence of minimizers in the optimization landscape and, in particular, GD trajectories may escape to infinity if the infimum of the error function (objective function) is not attained in the optimization landscape. This naturally raises the question of the existence of minimizers in the optimization landscape and, in the situation of shallow residual ANNs with multi-dimensional input layers and multi-dimensional hidden layers with the ReLU activation, the main result of this work answers this question affirmatively for a general class of loss functions and all continuous target functions. In our proof of this statement, we propose a kind of closure of the search space, where the limits are called generalized responses, and, thereafter, we provide sufficient criteria for the loss function and the underlying probability distribution which ensure that all additional artificial generalized responses are suboptimal which finally allows us to conclude the existence of minimizers in the optimization landscape.

Neighbor embedding methods $t$-SNE and UMAP are the de facto standard for visualizing high-dimensional datasets. Motivated from entirely different viewpoints, their loss functions appear to be unrelated. In practice, they yield strongly differing embeddings and can suggest conflicting interpretations of the same data. The fundamental reasons for this and, more generally, the exact relationship between $t$-SNE and UMAP have remained unclear. In this work, we uncover their conceptual connection via a new insight into contrastive learning methods. Noise-contrastive estimation can be used to optimize $t$-SNE, while UMAP relies on negative sampling, another contrastive method. We find the precise relationship between these two contrastive methods and provide a mathematical characterization of the distortion introduced by negative sampling. Visually, this distortion results in UMAP generating more compact embeddings with tighter clusters compared to $t$-SNE. We exploit this new conceptual connection to propose and implement a generalization of negative sampling, allowing us to interpolate between (and even extrapolate beyond) $t$-SNE and UMAP and their respective embeddings. Moving along this spectrum of embeddings leads to a trade-off between discrete / local and continuous / global structures, mitigating the risk of over-interpreting ostensible features of any single embedding. We provide a PyTorch implementation.

A central issue in machine learning is how to train models on sensitive user data. Industry has widely adopted a simple algorithm: Stochastic Gradient Descent with noise (a.k.a. Stochastic Gradient Langevin Dynamics). However, foundational theoretical questions about this algorithm's privacy loss remain open -- even in the seemingly simple setting of smooth convex losses over a bounded domain. Our main result resolves these questions: for a large range of parameters, we characterize the differential privacy up to a constant factor. This result reveals that all previous analyses for this setting have the wrong qualitative behavior. Specifically, while previous privacy analyses increase ad infinitum in the number of iterations, we show that after a small burn-in period, running SGD longer leaks no further privacy. Our analysis departs from previous approaches based on fast mixing, instead using techniques based on optimal transport (namely, Privacy Amplification by Iteration) and the Sampled Gaussian Mechanism (namely, Privacy Amplification by Sampling). Our techniques readily extend to other settings, e.g., strongly convex losses, non-uniform stepsizes, arbitrary batch sizes, and random or cyclic choice of batches.

The sparse transformer can reduce the computational complexity of the self-attention layers to $O(n)$, whilst still being a universal approximator of continuous sequence-to-sequence functions. However, this permutation variant operation is not appropriate for direct application to sets. In this paper, we proposed an $O(n)$ complexity sampled transformer that can process point set elements directly without any additional inductive bias. Our sampled transformer introduces random element sampling, which randomly splits point sets into subsets, followed by applying a shared Hamiltonian self-attention mechanism to each subset. The overall attention mechanism can be viewed as a Hamiltonian cycle in the complete attention graph, and the permutation of point set elements is equivalent to randomly sampling Hamiltonian cycles. This mechanism implements a Monte Carlo simulation of the $O(n^2)$ dense attention connections. We show that it is a universal approximator for continuous set-to-set functions. Experimental results on point-clouds show comparable or better accuracy with significantly reduced computational complexity compared to the dense transformer or alternative sparse attention schemes.

Sparse graph recovery methods work well where the data follows their assumptions but often they are not designed for doing downstream probabilistic queries. This limits their adoption to only identifying connections among the input variables. On the other hand, the Probabilistic Graphical Models (PGMs) assume an underlying base graph between variables and learns a distribution over them. PGM design choices are carefully made such that the inference \& sampling algorithms are efficient. This brings in certain restrictions and often simplifying assumptions. In this work, we propose Neural Graph Revealers (NGRs), that are an attempt to efficiently merge the sparse graph recovery methods with PGMs into a single flow. The problem setting consists of an input data X with D features and M samples and the task is to recover a sparse graph showing connection between the features and learn a probability distribution over the D at the same time. NGRs view the neural networks as a `glass box' or more specifically as a multitask learning framework. We introduce `Graph-constrained path norm' that NGRs leverage to learn a graphical model that captures complex non-linear functional dependencies between the features in the form of an undirected sparse graph. Furthermore, NGRs can handle multimodal inputs like images, text, categorical data, embeddings etc. which is not straightforward to incorporate in the existing methods. We show experimental results of doing sparse graph recovery and probabilistic inference on data from Gaussian graphical models and a multimodal infant mortality dataset by Centers for Disease Control and Prevention.

Traffic forecasting is a critical task to extract values from cyber-physical infrastructures, which is the backbone of smart transportation. However owing to external contexts, the dynamics at each sensor are unique. For example, the afternoon peaks at sensors near schools are more likely to occur earlier than those near residential areas. In this paper, we first analyze real-world traffic data to show that each sensor has a unique dynamic. Further analysis also shows that each pair of sensors also has a unique dynamic. Then, we explore how node embedding learns the unique dynamics at every sensor location. Next, we propose a novel module called Spatial Graph Transformers (SGT) where we use node embedding to leverage the self-attention mechanism to ensure that the information flow between two sensors is adaptive with respect to the unique dynamic of each pair. Finally, we present Graph Self-attention WaveNet (G-SWaN) to address the complex, non-linear spatiotemporal traffic dynamics. Through empirical experiments on four real-world, open datasets, we show that the proposed method achieves superior performance on both traffic speed and flow forecasting. Code is available at: https://github.com/aprbw/G-SWaN

Causal discovery algorithms aim at untangling complex causal relationships from data. Here, we study causal discovery and inference methods based on staged tree models, which can represent complex and asymmetric causal relationships between categorical variables. We provide a first graphical representation of the equivalence class of a staged tree, by looking only at a specific subset of its underlying independences. We further define a new pre-metric, inspired by the widely used structural intervention distance, to quantify the closeness between two staged trees in terms of their corresponding causal inference statements. A simulation study highlights the efficacy of staged trees in uncovering complexes, asymmetric causal relationships from data, and real-world data applications illustrate their use in practical causal analysis.