We present a new algorithm for automatically bounding the Taylor remainder series. In the special case of a scalar function $f: \mathbb{R} \mapsto \mathbb{R}$, our algorithm takes as input a reference point $x_0$, trust region $[a, b]$, and integer $k \ge 0$, and returns an interval $I$ such that $f(x) - \sum_{i=0}^k \frac {f^{(i)}(x_0)} {i!} (x - x_0)^i \in I (x - x_0)^{k+1}$ for all $x \in [a, b]$. As in automatic differentiation, the function $f$ is provided to the algorithm in symbolic form, and must be composed of known elementary functions. At a high level, our algorithm has two steps. First, for a variety of commonly-used elementary functions (e.g., $\exp$, $\log$), we derive sharp polynomial upper and lower bounds on the Taylor remainder series. We then recursively combine the bounds for the elementary functions using an interval arithmetic variant of Taylor-mode automatic differentiation. Our algorithm can make efficient use of machine learning hardware accelerators, and we provide an open source implementation in JAX. We then turn our attention to applications. Most notably, we use our new machinery to create the first universal majorization-minimization optimization algorithms: algorithms that iteratively minimize an arbitrary loss using a majorizer that is derived automatically, rather than by hand. Applied to machine learning, this leads to architecture-specific optimizers for training deep networks that converge from any starting point, without hyperparameter tuning. Our experiments show that for some optimization problems, these hyperparameter-free optimizers outperform tuned versions of gradient descent, Adam, and AdaGrad. We also show that our automatically-derived bounds can be used for verified global optimization and numerical integration, and to prove sharper versions of Jensen's inequality.

Discriminative neural networks offer little or no performance guarantees when deployed on data not generated by the same process as the training distribution. On such out-of-distribution (OOD) inputs, the prediction may not only be erroneous, but confidently so, limiting the safe deployment of classifiers in real-world applications. One such challenging application is bacteria identification based on genomic sequences, which holds the promise of early detection of diseases, but requires a model that can output low confidence predictions on OOD genomic sequences from new bacteria that were not present in the training data. We introduce a genomics dataset for OOD detection that allows other researchers to benchmark progress on this important problem. We investigate deep generative model based approaches for OOD detection and observe that the likelihood score is heavily affected by population level background statistics. We propose a likelihood ratio method for deep generative models which effectively corrects for these confounding background statistics. We benchmark the OOD detection performance of the proposed method against existing approaches on the genomics dataset and show that our method achieves state-of-the-art performance. We demonstrate the generality of the proposed method by showing that it significantly improves OOD detection when applied to deep generative models of images.

Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive uncertainty. Quantifying uncertainty is especially critical in real-world settings, which often involve input distributions that are shifted from the training distribution due to a variety of factors including sample bias and non-stationarity. In such settings, well calibrated uncertainty estimates convey information about when a model's output should (or should not) be trusted. Many probabilistic deep learning methods, including Bayesian-and non-Bayesian methods, have been proposed in the literature for quantifying predictive uncertainty, but to our knowledge there has not previously been a rigorous largescale empirical comparison of these methods under dataset shift. We present a largescale benchmark of existing state-of-the-art methods on classification problems and investigate the effect of dataset shift on accuracy and calibration. We find that traditional post-hoc calibration does indeed fall short, as do several other previous methods. However, some methods that marginalize over models give surprisingly strong results across a broad spectrum of tasks.

We present a variational approximation to the information bottleneck of Tishby et al. (1999). This variational approach allows us to parameterize the information bottleneck model using a neural network and leverage the reparameterization trick for efficient training. We call this method "Deep Variational Information Bottleneck", or Deep VIB. We show that models trained with the VIB objective outperform those that are trained with other forms of regularization, in terms of generalization performance and robustness to adversarial attack.

普通的卷积神经网络（CNNS）已被用于在过去几年中的各个域中实现最先进的性能，包括通过眼睛运动的生物识别认证。普通CNNS已经有许多相对较近的改进，包括残差网络（RESNET）和密集连接的卷积网络（DENSENET）。虽然这些网络主要是目标图像处理域，但它们可以很容易地修改以使用时间序列数据。我们采用DENSenet架构，通过眼睛运动来实现端到端的生物认证。我们将我们的模型与最相关的现有作品进行比较，包括当前最先进的工作。我们发现我们的模型实现了所有考虑的培训条件和数据集的最先进的性能。

In this paper we explore the task of modeling (semi) structured object sequences; in particular we focus our attention on the problem of developing a structure-aware input representation for such sequences. In such sequences, we assume that each structured object is represented by a set of key-value pairs which encode the attributes of the structured object. Given a universe of keys, a sequence of structured objects can then be viewed as an evolution of the values for each key, over time. We encode and construct a sequential representation using the values for a particular key (Temporal Value Modeling - TVM) and then self-attend over the set of key-conditioned value sequences to a create a representation of the structured object sequence (Key Aggregation - KA). We pre-train and fine-tune the two components independently and present an innovative training schedule that interleaves the training of both modules with shared attention heads. We find that this iterative two part-training results in better performance than a unified network with hierarchical encoding as well as over, other methods that use a {\em record-view} representation of the sequence \cite{de2021transformers4rec} or a simple {\em flattened} representation of the sequence. We conduct experiments using real-world data to demonstrate the advantage of interleaving TVM-KA on multiple tasks and detailed ablation studies motivating our modeling choices. We find that our approach performs better than flattening sequence objects and also allows us to operate on significantly larger sequences than existing methods.

Optical coherence tomography (OCT) captures cross-sectional data and is used for the screening, monitoring, and treatment planning of retinal diseases. Technological developments to increase the speed of acquisition often results in systems with a narrower spectral bandwidth, and hence a lower axial resolution. Traditionally, image-processing-based techniques have been utilized to reconstruct subsampled OCT data and more recently, deep-learning-based methods have been explored. In this study, we simulate reduced axial scan (A-scan) resolution by Gaussian windowing in the spectral domain and investigate the use of a learning-based approach for image feature reconstruction. In anticipation of the reduced resolution that accompanies wide-field OCT systems, we build upon super-resolution techniques to explore methods to better aid clinicians in their decision-making to improve patient outcomes, by reconstructing lost features using a pixel-to-pixel approach with an altered super-resolution generative adversarial network (SRGAN) architecture.

Real-life tools for decision-making in many critical domains are based on ranking results. With the increasing awareness of algorithmic fairness, recent works have presented measures for fairness in ranking. Many of those definitions consider the representation of different ``protected groups'', in the top-$k$ ranked items, for any reasonable $k$. Given the protected groups, confirming algorithmic fairness is a simple task. However, the groups' definitions may be unknown in advance. In this paper, we study the problem of detecting groups with biased representation in the top-$k$ ranked items, eliminating the need to pre-define protected groups. The number of such groups possible can be exponential, making the problem hard. We propose efficient search algorithms for two different fairness measures: global representation bounds, and proportional representation. Then we propose a method to explain the bias in the representations of groups utilizing the notion of Shapley values. We conclude with an experimental study, showing the scalability of our approach and demonstrating the usefulness of the proposed algorithms.

The previous fine-grained datasets mainly focus on classification and are often captured in a controlled setup, with the camera focusing on the objects. We introduce the first Fine-Grained Vehicle Detection (FGVD) dataset in the wild, captured from a moving camera mounted on a car. It contains 5502 scene images with 210 unique fine-grained labels of multiple vehicle types organized in a three-level hierarchy. While previous classification datasets also include makes for different kinds of cars, the FGVD dataset introduces new class labels for categorizing two-wheelers, autorickshaws, and trucks. The FGVD dataset is challenging as it has vehicles in complex traffic scenarios with intra-class and inter-class variations in types, scale, pose, occlusion, and lighting conditions. The current object detectors like yolov5 and faster RCNN perform poorly on our dataset due to a lack of hierarchical modeling. Along with providing baseline results for existing object detectors on FGVD Dataset, we also present the results of a combination of an existing detector and the recent Hierarchical Residual Network (HRN) classifier for the FGVD task. Finally, we show that FGVD vehicle images are the most challenging to classify among the fine-grained datasets.

Three main points: 1. Data Science (DS) will be increasingly important to heliophysics; 2. Methods of heliophysics science discovery will continually evolve, requiring the use of learning technologies [e.g., machine learning (ML)] that are applied rigorously and that are capable of supporting discovery; and 3. To grow with the pace of data, technology, and workforce changes, heliophysics requires a new approach to the representation of knowledge.