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Neural networks are surprisingly good at interpolating and perform remarkably well when the training set examples resemble those in the test set. However, they are often unable to extrapolate patterns beyond the seen data, even when the abstractions required for such patterns are simple. In this paper, we first review the notion of extrapolation, why it is important and how one could hope to tackle it. We then focus on a specific type of extrapolation which is especially useful for natural language processing: generalization to sequences that are longer than the training ones. We hypothesize that models with a separate content- and location-based attention are more likely to extrapolate than those with common attention mechanisms. We empirically support our claim for recurrent seq2seq models with our proposed attention on variants of the Lookup Table task. This sheds light on some striking failures of neural models for sequences and on possible methods to approaching such issues.
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Transformers-based models, such as BERT, have been one of the most successful deep learning models for NLP. Unfortunately, one of their core limitations is the quadratic dependency (mainly in terms of memory) on the sequence length due to their full attention mechanism. To remedy this, we propose, BigBird, a sparse attention mechanism that reduces this quadratic dependency to linear. We show that BigBird is a universal approximator of sequence functions and is Turing complete, thereby preserving these properties of the quadratic, full attention model. Along the way, our theoretical analysis reveals some of the benefits of having $O(1)$ global tokens (such as CLS), that attend to the entire sequence as part of the sparse attention mechanism. The proposed sparse attention can handle sequences of length up to 8x of what was previously possible using similar hardware. As a consequence of the capability to handle longer context, BigBird drastically improves performance on various NLP tasks such as question answering and summarization. We also propose novel applications to genomics data.
Attention mechanisms have become a standard tool for sequence modeling tasks, in particular by stacking self-attention layers over the entire input sequence as in the Transformer architecture. In this work we introduce a novel attention procedure called staircase attention that, unlike self-attention, operates across the sequence (in time) recurrently processing the input by adding another step of processing. A step in the staircase comprises of backward tokens (encoding the sequence so far seen) and forward tokens (ingesting a new part of the sequence), or an extreme Ladder version with a forward step of zero that simply repeats the Transformer on each step of the ladder, sharing the weights. We thus describe a family of such models that can trade off performance and compute, by either increasing the amount of recurrence through time, the amount of sequential processing via recurrence in depth, or both. Staircase attention is shown to be able to solve tasks that involve tracking that conventional Transformers cannot, due to this recurrence. Further, it is shown to provide improved modeling power for the same size model (number of parameters) compared to self-attentive Transformers on large language modeling and dialogue tasks, yielding significant perplexity gains.
We present local ensembles, a method for detecting extrapolation at test time in a pre-trained model. We focus on underdetermination as a key component of extrapolation: we aim to detect when many possible predictions are consistent with the training data and model class. Our method uses local second-order information to approximate the variance of predictions across an ensemble of models from the same class. We compute this approximation by estimating the norm of the component of a test points gradient that aligns with the low-curvature directions of the Hessian, and provide a tractable method for estimating this quantity. Experimentally, we show that our method is capable of detecting when a pre-trained model is extrapolating on test data, with applications to out-of-distribution detection, detecting spurious correlates, and active learning.
Self-attention, as the key block of transformers, is a powerful mechanism for extracting features from the inputs. In essence, what self-attention does is to infer the pairwise relations between the elements of the inputs, and modify the inputs by propagating information between input pairs. As a result, it maps inputs to N outputs and casts a quadratic $O(N^2)$ memory and time complexity. We propose centroid attention, a generalization of self-attention that maps N inputs to M outputs $(Mleq N)$, such that the key information in the inputs are summarized in the smaller number of outputs (called centroids). We design centroid attention by amortizing the gradient descent update rule of a clustering objective function on the inputs, which reveals an underlying connection between attention and clustering. By compressing the inputs to the centroids, we extract the key information useful for prediction and also reduce the computation of the attention module and the subsequent layers. We apply our method to various applications, including abstractive text summarization, 3D vision, and image processing. Empirical results demonstrate the effectiveness of our method over the standard transformers.
We address the problem of learning on sets of features, motivated by the need of performing pooling operations in long biological sequences of varying sizes, with long-range dependencies, and possibly few labeled data. To address this challenging task, we introduce a parametrized representation of fixed size, which embeds and then aggregates elements from a given input set according to the optimal transport plan between the set and a trainable reference. Our approach scales to large datasets and allows end-to-end training of the reference, while also providing a simple unsupervised learning mechanism with small computational cost. Our aggregation technique admits two useful interpretations: it may be seen as a mechanism related to attention layers in neural networks, or it may be seen as a scalable surrogate of a classical optimal transport-based kernel. We experimentally demonstrate the effectiveness of our approach on biological sequences, achieving state-of-the-art results for protein fold recognition and detection of chromatin profiles tasks, and, as a proof of concept, we show promising results for processing natural language sequences. We provide an open-source implementation of our embedding that can be used alone or as a module in larger learning models at https://github.com/claying/OTK.
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