The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared to mainstream GNN variants. Therefore, it remains a mystery how Transformers could perform well for graph representation learning. In this paper, we solve this mystery by presenting Graphormer, which is built upon the standard Transformer architecture, and could attain excellent results on a broad range of graph representation learning tasks, especially on the recent OGB Large-Scale Challenge. Our key insight to utilizing Transformer in the graph is the necessity of effectively encoding the structural information of a graph into the model. To this end, we propose several simple yet effective structural encoding methods to help Graphormer better model graph-structured data. Besides, we mathematically characterize the expressive power of Graphormer and exhibit that with our ways of encoding the structural information of graphs, many popular GNN variants could be covered as the special cases of Graphormer.

We challenge a common assumption underlying most supervised deep learning: that a model makes a prediction depending only on its parameters and the features of a single input. To this end, we introduce a general-purpose deep learning architecture that takes as input the entire dataset instead of processing one datapoint at a time. Our approach uses self-attention to reason about relationships between datapoints explicitly, which can be seen as realizing non-parametric models using parametric attention mechanisms. However, unlike conventional non-parametric models, we let the model learn end-to-end from the data how to make use of other datapoints for prediction. Empirically, our models solve cross-datapoint lookup and complex reasoning tasks unsolvable by traditional deep learning models. We show highly competitive results on tabular data, early results on CIFAR-10, and give insight into how the model makes use of the interactions between points.

Visual Question Answering (VQA) deep-learning systems tend to capture superficial statistical correlations in the training data because of strong language priors and fail to generalize to test data with a significantly different question-answer (QA) distribution. To address this issue, we introduce a self-critical training objective that ensures that visual explanations of correct answers match the most influential image regions more than other competitive answer candidates. The influential regions are either determined from human visual/textual explanations or automatically from just significant words in the question and answer. We evaluate our approach on the VQA generalization task using the VQA-CP dataset, achieving a new state-of-the-art i.e. 49.5\% using textual explanations and 48.5\% using automatically

The existence of adversarial data examples has drawn significant attention in the deep-learning community; such data are seemingly minimally perturbed relative to the original data, but lead to very different outputs from a deep-learning algorithm. Although a significant body of work on developing defense models has been developed, most such models are heuristic and are often vulnerable to adaptive attacks. Defensive methods that provide theoretical robustness guarantees have been studied intensively, yet most fail to obtain non-trivial robustness when a large-scale model and data are present. To address these limitations, we introduce a framework that is scalable and provides certified bounds on the norm of the input manipulation for constructing adversarial examples. We establish a connection between robustness against adversarial perturbation and additive random noise, and propose a training strategy that can significantly improve the certified bounds. Our evaluation on MNIST, CIFAR-10 and ImageNet suggests that our method is scalable to complicated models and large data sets, while providing competitive robustness to state-of-the-art provable defense methods.

Does prompting a large language model (LLM) like GPT-3 with explanations improve in-context learning? We study this question on two NLP tasks that involve reasoning over text, namely question answering and natural language inference. We test the performance of four LLMs on three textual reasoning datasets using prompts that include explanations in multiple different styles. For these tasks, we find that including explanations in the prompts for OPT, GPT-3 (davinci), and InstructGPT (text-davinci-001) only yields small to moderate accuracy improvements over standard few-show learning. However, text-davinci-002 is able to benefit more substantially.We further show that explanations generated by the LLMs may not entail the models' predictions nor be factually grounded in the input, even on simple tasks with extractive explanations. However, these flawed explanations can still be useful as a way to verify LLMs' predictions post-hoc. Through analysis in our three settings, we show that explanations judged by humans to be good--logically consistent with the input and the prediction--more likely cooccur with accurate predictions. Following these observations, we train calibrators using automatically extracted scores that assess the reliability of explanations, allowing us to improve performance post-hoc across all of our datasets.

Visual object recognition has been extensively studied in both neuroscience and computer vision. Recently, the most popular class of artificial systems for this task, deep convolutional neural networks (CNNs), has been shown to provide excellent models for its functional analogue in the brain, the ventral stream in visual cortex. This has prompted questions on what, if any, are the common principles underlying the reformatting of visual information as it flows through a CNN or the ventral stream. Here we consider some prominent statistical patterns that are known to exist in the internal representations of either CNNs or the visual cortex and look for them in the other system. We show that intrinsic dimensionality (ID) of object representations along the rat homologue of the ventral stream presents two distinct expansion-contraction phases, as previously shown for CNNs. Conversely, in CNNs, we show that training results in both distillation and active pruning (mirroring the increase in ID) of low-to middle-level image information in single units, as representations gain the ability to support invariant discrimination, in agreement with previous observations in rat visual cortex. Taken together, our findings suggest that CNNs and visual cortex share a similarly tight relationship between dimensionality expansion/reduction of object representations and reformatting of image information.

Training convolutional neural network models is memory intensive since back-propagation requires storing activations of all intermediate layers. This presents a practical concern when seeking to deploy very deep architectures in production, especially when models need to be frequently re-trained on updated datasets. In this paper, we propose a new implementation for back-propagation that significantly reduces memory usage, by enabling the use of approximations with negligible computational cost and minimal effect on training performance. The algorithm reuses common buffers to temporarily store full activations and compute the forward pass exactly. It also stores approximate per-layer copies of activations, at significant memory savings, that are used in the backward pass. Compared to simply approximating activations within standard back-propagation, our method limits accumulation of errors across layers. This allows the use of much lower-precision approximations without affecting training accuracy.

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piecewise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

As governments and corporations adopt deep learning systems to collect and analyze user-generated audio data, concerns about security and privacy naturally emerge in areas such as automatic speaker recognition. While audio adversarial examples offer one route to mislead or evade these invasive systems, they are typically crafted through time-intensive offline optimization, limiting their usefulness in streaming contexts. Inspired by architectures for audio-to-audio tasks such as denoising and speech enhancement, we propose a neural network model capable of adversarially modifying a user's audio stream in real-time. Our model learns to apply a time-varying finite impulse response (FIR) filter to outgoing audio, allowing for effective and inconspicuous perturbations on a small fixed delay suitable for streaming tasks. We demonstrate our model is highly effective at de-identifying user speech from speaker recognition and able to transfer to an unseen recognition system. We conduct a perceptual study and find that our method produces perturbations significantly less perceptible than baseline anonymization methods, when controlling for effectiveness. Finally, we provide an implementation of our model capable of running in real-time on a single CPU thread.

Modern deep learning systems require huge data sets to achieve impressive performance, but there is little guidance on how much or what kind of data to collect. Over-collecting data incurs unnecessary present costs, while under-collecting may incur future costs and delay workflows. We propose a new paradigm for modeling the data collection workflow as a formal optimal data collection problem that allows designers to specify performance targets, collection costs, a time horizon, and penalties for failing to meet the targets. Additionally, this formulation generalizes to tasks requiring multiple data sources, such as labeled and unlabeled data used in semi-supervised learning. To solve our problem, we develop Learn-Optimize-Collect (LOC), which minimizes expected future collection costs. Finally, we numerically compare our framework to the conventional baseline of estimating data requirements by extrapolating from neural scaling laws. We significantly reduce the risks of failing to meet desired performance targets on several classification, segmentation, and detection tasks, while maintaining low total collection costs.