Dense linear layers are the dominant computational bottleneck in large neural networks, presenting a critical need for more efficient alternatives. Previous efforts to develop alternatives have focused on a small number of hand-crafted structured matrices, and have neglected to investigate whether these structures can surpass dense layers in terms of compute-optimal scaling laws when both the model size and training examples are optimally allocated. In this work, we present a unifying framework that enables searching among all linear operators expressible via an Einstein summation. This framework encompasses many previously proposed structures, such as low-rank, Kronecker, Tensor-Train, and Monarch, along with many novel structures. We develop a taxonomy of all such operators based on their computational and algebraic properties, which provides insights into their scaling laws. Combining these insights with empirical evaluation, we identify a subset of structures that achieve equal or better performance than dense layers as a function of training compute. To further improve their compute efficiency, we develop a natural extension of these performant structures that convert them into a sparse Mixture-of-Experts layer. The resulting layer significantly outperforms dense layers in compute-optimal training efficiency for GPT-2 language models.

We propose Automatic Feature Explanation using Contrasting Concepts (FALCON), an interpretability framework to explain features of image representations. For a target feature, FALCON captions its highly activating cropped images using a large captioning dataset (like LAION-400m) and a pre-trained vision-language model like CLIP. Each word among the captions is scored and ranked leading to a small number of shared, human-understandable concepts that closely describe the target feature. FALCON also applies contrastive interpretation using lowly activating (counterfactual) images, to eliminate spurious concepts. Although many existing approaches interpret features independently, we observe in state-of-the-art self-supervised and supervised models, that less than 20% of the representation space can be explained by individual features. We show that features in larger spaces become more interpretable when studied in groups and can be explained with high-order scoring concepts through FALCON. We discuss how extracted concepts can be used to explain and debug failures in downstream tasks. Finally, we present a technique to transfer concepts from one (explainable) representation space to another unseen representation space by learning a simple linear transformation.

Graph transformers have been competitive on graph classification tasks, but they fail to outperform Graph Neural Networks (GNNs) on node classification, which is a common task performed on large-scale graphs for industrial applications. Meanwhile, existing GNN architectures are limited in their ability to perform equally well on both homophilious and heterophilious graphs as their inductive biases are generally tailored to only one setting. To address these issues, we propose GOAT, a scalable global graph transformer. In GOAT, each node conceptually attends to all the nodes in the graph and homophily/heterophily relationships can be learnt adaptively from the data. We provide theoretical justification for our approximate global self-attention scheme, and show it to be scalable to large-scale graphs. We demonstrate the competitiveness of GOAT on both heterophilious and homophilious graphs with millions of nodes.

Academic tabular benchmarks often contain small sets of curated features. In contrast, data scientists typically collect as many features as possible into their datasets, and even engineer new features from existing ones. To prevent over-fitting in subsequent downstream modeling, practitioners commonly use automated feature selection methods that identify a reduced subset of informative features. Existing benchmarks for tabular feature selection consider classical downstream models, toy synthetic datasets, or do not evaluate feature selectors on the basis of downstream performance. We construct a challenging feature selection benchmark evaluated on downstream neural networks including transformers, using real datasets and multiple methods for generating extraneous features. We also propose an input-gradient-based analogue of LASSO for neural networks that outperforms classical feature selection methods on challenging problems such as selecting from corrupted or second-order features.

Real-world datasets are often highly class-imbalanced, which can adversely impact the performance of deep learning models. The majority of research on training neural networks under class imbalance has focused on specialized loss functions and sampling techniques. Notably, we demonstrate that simply tuning existing components of standard deep learning pipelines, such as the batch size, data augmentation, architecture size, pre-training, optimizer, and label smoothing, can achieve state-of-the-art performance without any specialized loss functions or samplers. We also provide key prescriptions and considerations for training under class imbalance, and an understanding of why imbalance methods succeed or fail.

Graph Representation Learning has experienced significant progress as a means to extract structural information in a meaningful way for subsequent learning tasks. Current approaches including shallow embeddings and Graph Neural Networks have mostly been tested with node classification and link prediction tasks. In this work, we provide an application oriented perspective to a set of popular embedding approaches and evaluate their representational power with respect to real-world graph properties. We implement an extensive empirical data-driven framework to challenge existing norms regarding the expressive power of embedding approaches in graphs with varying patterns along with a theoretical analysis of the limitations we discovered in this process. Our results suggest that "one-to-fit-all" GRL approaches are hard to define in real-world scenarios and as new methods are being introduced they should be explicit about their ability to capture graph properties and their applicability in datasets with non-trivial structural differences.

Financial transactions can be considered edges in a heterogeneous graph between entities sending money and entities receiving money. For financial institutions, such a graph is likely large (with millions or billions of edges) while also sparsely connected. It becomes challenging to apply machine learning to such large and sparse graphs. Graph representation learning seeks to embed the nodes of a graph into a euclidean vector space such that graph topological properties are preserved after the transformation. In this paper, we present a novel application of representation learning to bipartite graphs of credit card transactions in order to learn embeddings of account and merchant entities. Our framework is inspired by popular approaches in graph embeddings and is trained on two internal transaction datasets. This approach yields highly effective embeddings, as quantified by link prediction AUC and F1 score. Further, the resulting entity vectors retain intuitive semantic similarity that is explored through visualizations and other qualitative analyses. Finally, we show how these embeddings can be used as features in downstream machine learning business applications such as fraud detection.

There has been considerable growth and interest in industrial applications of machine learning (ML) in recent years. ML engineers, as a consequence, are in high demand across the industry, yet improving the efficiency of ML engineers remains a fundamental challenge. Automated machine learning (AutoML) has emerged as a way to save time and effort on repetitive tasks in ML pipelines, such as data pre-processing, feature engineering, model selection, hyperparameter optimization, and prediction result analysis. In this paper, we investigate the current state of AutoML tools aiming to automate these tasks. We conduct various evaluations of the tools on many datasets, in different data segments, to examine their performance, and compare their advantages and disadvantages on different test cases.