No Arabic abstract
It is well noted that coordinate based MLPs benefit greatly -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.
Attentional mechanisms are order-invariant. Positional encoding is a crucial component to allow attention-based deep model architectures such as Transformer to address sequences or images where the position of information matters. In this paper, we propose a novel positional encoding method based on learnable Fourier features. Instead of hard-coding each position as a token or a vector, we represent each position, which can be multi-dimensional, as a trainable encoding based on learnable Fourier feature mapping, modulated with a multi-layer perceptron. The representation is particularly advantageous for a spatial multi-dimensional position, e.g., pixel positions on an image, where $L_2$ distances or more complex positional relationships need to be captured. Our experiments based on several public benchmark tasks show that our learnable Fourier feature representation for multi-dimensional positional encoding outperforms existing methods by both improving the accuracy and allowing faster convergence.
Without positional information, attention-based transformer neural networks are permutation-invariant. Absolute or relative positional embeddings are the most popular ways to feed transformer models positional information. Absolute positional embeddings are simple to implement, but suffer from generalization issues when evaluating on sequences of different length than those seen at training time. Relative positions are more robust to length change, but are more complex to implement and yield inferior model throughput. In this paper, we propose an augmentation-based approach (CAPE) for absolute positional embeddings, which keeps the advantages of both absolute (simplicity and speed) and relative position embeddings (better generalization). In addition, our empirical evaluation on state-of-the-art models in machine translation, image and speech recognition demonstrates that CAPE leads to better generalization performance as well as increased stability with respect to training hyper-parameters.
The attention module, which is a crucial component in Transformer, cannot scale efficiently to long sequences due to its quadratic complexity. Many works focus on approximating the dot-then-exponentiate softmax function in the original attention, leading to sub-quadratic or even linear-complexity Transformer architectures. However, we show that these methods cannot be applied to more powerful attention modules that go beyond the dot-then-exponentiate style, e.g., Transformers with relative positional encoding (RPE). Since in many state-of-the-art models, relative positional encoding is used as default, designing efficient Transformers that can incorporate RPE is appealing. In this paper, we propose a novel way to accelerate attention calculation for Transformers with RPE on top of the kernelized attention. Based upon the observation that relative positional encoding forms a Toeplitz matrix, we mathematically show that kernelized attention with RPE can be calculated efficiently using Fast Fourier Transform (FFT). With FFT, our method achieves $mathcal{O}(nlog n)$ time complexity. Interestingly, we further demonstrate that properly using relative positional encoding can mitigate the training instability problem of vanilla kernelized attention. On a wide range of tasks, we empirically show that our models can be trained from scratch without any optimization issues. The learned model performs better than many efficient Transformer variants and is faster than standard Transformer in the long-sequence regime.
Learning node representations that incorporate information from graph structure benefits wide range of tasks on graph. The majority of existing graph neural networks (GNNs) have limited power in capturing position information for a given node. The idea of positioning nodes with selected anchors has been exploited, yet mainly relying on explicit labeling of distance information. Here we propose Graph Inference Representation (GIR), an anchor based GNN model encoding path information related to pre-selected anchors for each node. Abilities to get position-aware embeddings are theoretically and experimentally investigated on GIR and its core variants. Further, the complementarity between GIRs and typical GNNs is demonstrated. We show that GIRs get outperformed results in position-aware scenarios, and performances on typical GNNs could be improved by fusing GIR embeddings.
Differentiable Neural Architecture Search is one of the most popular Neural Architecture Search (NAS) methods for its search efficiency and simplicity, accomplished by jointly optimizing the model weight and architecture parameters in a weight-sharing supernet via gradient-based algorithms. At the end of the search phase, the operations with the largest architecture parameters will be selected to form the final architecture, with the implicit assumption that the values of architecture parameters reflect the operation strength. While much has been discussed about the supernets optimization, the architecture selection process has received little attention. We provide empirical and theoretical analysis to show that the magnitude of architecture parameters does not necessarily indicate how much the operation contributes to the supernets performance. We propose an alternative perturbation-based architecture selection that directly measures each operations influence on the supernet. We re-evaluate several differentiable NAS methods with the proposed architecture selection and find that it is able to extract significantly improved architectures from the underlying supernets consistently. Furthermore, we find that several failure modes of DARTS can be greatly alleviated with the proposed selection method, indicating that much of the poor generalization observed in DARTS can be attributed to the failure of magnitude-based architecture selection rather than entirely the optimization of its supernet.