From Trees to Continuous Embeddings and Back: Hyperbolic Hierarchical Clustering

Similarity-based Hierarchical Clustering (HC) is a classical unsupervised machine learning algorithm that has traditionally been solved with heuristic algorithms like Average-Linkage. Recently, Dasgupta reframed HC as a discrete optimization problem by introducing a global cost function measuring the quality of a given tree. In this work, we provide the first continuous relaxation of Dasgupta's discrete optimization problem with provable quality guarantees. The key idea of our method, HypHC, is showing a direct correspondence from discrete trees to continuous representations (via the hyperbolic embeddings of their leaf nodes) and back (via a decoding algorithm that maps leaf embeddings to a dendrogram), allowing us to search the space of discrete binary trees with continuous optimization. Building on analogies between trees and hyperbolic space, we derive a continuous analogue for the notion of lowest common ancestor, which leads to a continuous relaxation of Dasgupta's discrete objective. We can show that after decoding, the global minimizer of our continuous relaxation yields a discrete tree with a (1 + epsilon)-factor approximation for Dasgupta's optimal tree, where epsilon can be made arbitrarily small and controls optimization challenges. We experimentally evaluate HypHC on a variety of HC benchmarks and find that even approximate solutions found with gradient descent have superior clustering quality than agglomerative heuristics or other gradient based algorithms. Finally, we highlight the flexibility of HypHC using end-to-end training in a downstream classification task.

Model Patching: Closing the Subgroup Performance Gap with Data Augmentation

Classifiers in machine learning are often brittle when deployed. Particularly concerning are models with inconsistent performance on specific subgroups of a class, e.g., exhibiting disparities in skin cancer classification in the presence or absence of a spurious bandage. To mitigate these performance differences, we introduce model patching, a two-stage framework for improving robustness that encourages the model to be invariant to subgroup differences, and focus on class information shared by subgroups. Model patching first models subgroup features within a class and learns semantic transformations between them, and then trains a classifier with data augmentations that deliberately manipulate subgroup features. We instantiate model patching with CAMEL, which (1) uses a CycleGAN to learn the intra-class, inter-subgroup augmentations, and (2) balances subgroup performance using a theoretically-motivated subgroup consistency regularizer, accompanied by a new robust objective. We demonstrate CAMEL's effectiveness on 3 benchmark datasets, with reductions in robust error of up to 33% relative to the best baseline. Lastly, CAMEL successfully patches a model that fails due to spurious features on a real-world skin cancer dataset.

Train and You'll Miss It: Interactive Model Iteration with Weak Supervision and Pre-Trained Embeddings

Our goal is to enable machine learning systems to be trained interactively. This requires models that perform well and train quickly, without large amounts of hand-labeled data. We take a step forward in this direction by borrowing from weak supervision (WS), wherein models can be trained with noisy sources of signal instead of hand-labeled data. But WS relies on training downstream deep networks to extrapolate to unseen data points, which can take hours or days. Pre-trained embeddings can remove this requirement. We do not use the embeddings as features as in transfer learning (TL), which requires fine-tuning for high performance, but instead use them to define a distance function on the data and extend WS source votes to nearby points. Theoretically, we provide a series of results studying how performance scales with changes in source coverage, source accuracy, and the Lipschitzness of label distributions in the embedding space, and compare this rate to standard WS without extension and TL without fine-tuning. On six benchmark NLP and video tasks, our method outperforms WS without extension by 4.1 points, TL without fine-tuning by 12.8 points, and traditionally-supervised deep networks by 13.1 points, and comes within 0.7 points of state-of-the-art weakly-supervised deep networks-all while training in less than half a second.

Contextual Embeddings: When Are They Worth It?

We study the settings for which deep contextual embeddings (e.g., BERT) give large improvements in performance relative to classic pretrained embeddings (e.g., GloVe), and an even simpler baseline---random word embeddings---focusing on the impact of the training set size and the linguistic properties of the task. Surprisingly, we find that both of these simpler baselines can match contextual embeddings on industry-scale data, and often perform within 5 to 10% accuracy (absolute) on benchmark tasks. Furthermore, we identify properties of data for which contextual embeddings give particularly large gains: language containing complex structure, ambiguous word usage, and words unseen in training.

Machine Learning on Graphs: A Model and Comprehensive Taxonomy

There has been a surge of recent interest in learning representations for graph-structured data. Graph representation learning methods have generally fallen into three main categories, based on the availability of labeled data. The first, network embedding (such as shallow graph embedding or graph auto-encoders), focuses on learning unsupervised representations of relational structure. The second, graph regularized neural networks, leverages graphs to augment neural network losses with a regularization objective for semi-supervised learning. The third, graph neural networks, aims to learn differentiable functions over discrete topologies with arbitrary structure. However, despite the popularity of these areas there has been surprisingly little work on unifying the three paradigms. Here, we aim to bridge the gap between graph neural networks, network embedding and graph regularization models. We propose a comprehensive taxonomy of representation learning methods for graph-structured data, aiming to unify several disparate bodies of work. Specifically, we propose a Graph Encoder Decoder Model (GRAPHEDM), which generalizes popular algorithms for semi-supervised learning on graphs (e.g. GraphSage, Graph Convolutional Networks, Graph Attention Networks), and unsupervised learning of graph representations (e.g. DeepWalk, node2vec, etc) into a single consistent approach. To illustrate the generality of this approach, we fit over thirty existing methods into this framework. We believe that this unifying view both provides a solid foundation for understanding the intuition behind these methods, and enables future research in the area.

Understanding and Improving Information Transfer in Multi-Task Learning

We investigate multi-task learning approaches that use a shared feature representation for all tasks. To better understand the transfer of task information, we study an architecture with a shared module for all tasks and a separate output module for each task. We study the theory of this setting on linear and ReLU-activated models. Our key observation is that whether or not tasks' data are well-aligned can significantly affect the performance of multi-task learning. We show that misalignment between task data can cause negative transfer (or hurt performance) and provide sufficient conditions for positive transfer. Inspired by the theoretical insights, we show that aligning tasks' embedding layers leads to performance gains for multi-task training and transfer learning on the GLUE benchmark and sentiment analysis tasks; for example, we obtain a 2.35% GLUE score average improvement on 5 GLUE tasks over BERT-LARGE using our alignment method. We also design an SVD-based task reweighting scheme and show that it improves the robustness of multi-task training on a multi-label image dataset.

On the Generalization Effects of Linear Transformations in Data Augmentation

Data augmentation is a powerful technique to improve performance in applications such as image and text classification tasks. Yet, there is little rigorous understanding of why and how various augmentations work. In this work, we consider a family of linear transformations and study their effects on the ridge estimator in an over-parametrized linear regression setting. First, we show that transformations which preserve the labels of the data can improve estimation by enlarging the span of the training data. Second, we show that transformations which mix data can improve estimation by playing a regularization effect. Finally, we validate our theoretical insights on MNIST. Based on the insights, we propose an augmentation scheme that searches over the space of transformations by how uncertain the model is about the transformed data. We validate our proposed scheme on image and text datasets. For example, our method outperforms RandAugment by 1.24% on CIFAR-100 using Wide-ResNet-28-10. Furthermore, we achieve comparable accuracy to the SoTA Adversarial AutoAugment on CIFAR datasets.

Low-Dimensional Hyperbolic Knowledge Graph Embeddings

Knowledge graph (KG) embeddings learn low-dimensional representations of entities and relations to predict missing facts. KGs often exhibit hierarchical and logical patterns which must be preserved in the embedding space. For hierarchical data, hyperbolic embedding methods have shown promise for high-fidelity and parsimonious representations. However, existing hyperbolic embedding methods do not account for the rich logical patterns in KGs. In this work, we introduce a class of hyperbolic KG embedding models that simultaneously capture hierarchical and logical patterns. Our approach combines hyperbolic reflections and rotations with attention to model complex relational patterns. Experimental results on standard KG benchmarks show that our method improves over previous Euclidean- and hyperbolic-based efforts by up to 6.1% in mean reciprocal rank (MRR) in low dimensions. Furthermore, we observe that different geometric transformations capture different types of relations while attention-based transformations generalize to multiple relations. In high dimensions, our approach yields new state-of-the-art MRRs of 49.6% on WN18RR and 57.7% on YAGO3-10.

Ivy: Instrumental Variable Synthesis for Causal Inference

A popular way to estimate the causal effect of a variable x on y from observational data is to use an instrumental variable (IV): a third variable z that affects y only through x. The more strongly z is associated with x, the more reliable the estimate is, but such strong IVs are difficult to find. Instead, practitioners combine more commonly available IV candidates---which are not necessarily strong, or even valid, IVs---into a single "summary" that is plugged into causal effect estimators in place of an IV. In genetic epidemiology, such approaches are known as allele scores. Allele scores require strong assumptions---independence and validity of all IV candidates---for the resulting estimate to be reliable. To relax these assumptions, we propose Ivy, a new method to combine IV candidates that can handle correlated and invalid IV candidates in a robust manner. Theoretically, we characterize this robustness, its limits, and its impact on the resulting causal estimates. Empirically, Ivy can correctly identify the directionality of known relationships and is robust against false discovery (median effect size <= 0.025) on three real-world datasets with no causal effects, while allele scores return more biased estimates (median effect size >= 0.118).

Assessing Robustness to Noise: Low-Cost Head CT Triage

Automated medical image classification with convolutional neural networks (CNNs) has great potential to impact healthcare, particularly in resource-constrained healthcare systems where fewer trained radiologists are available. However, little is known about how well a trained CNN can perform on images with the increased noise levels, different acquisition protocols, or additional artifacts that may arise when using low-cost scanners, which can be underrepresented in datasets collected from well-funded hospitals. In this work, we investigate how a model trained to triage head computed tomography (CT) scans performs on images acquired with reduced x-ray tube current, fewer projections per gantry rotation, and limited angle scans. These changes can reduce the cost of the scanner and demands on electrical power but come at the expense of increased image noise and artifacts. We first develop a model to triage head CTs and report an area under the receiver operating characteristic curve (AUROC) of 0.77. We then show that the trained model is robust to reduced tube current and fewer projections, with the AUROC dropping only 0.65% for images acquired with a 16x reduction in tube current and 0.22% for images acquired with 8x fewer projections. Finally, for significantly degraded images acquired by a limited angle scan, we show that a model trained specifically to classify such images can overcome the technological limitations to reconstruction and maintain an AUROC within 0.09% of the original model.