相关论文: Relative Molecule Self-Attention Transformer

Self-attention is essential to Transformer architectures, yet how information is embedded in the self-attention matrices and how different objective functions impact this process remains unclear. We present a mathematical framework to…

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set,…

Transformers have had tremendous impact for several sequence related tasks, largely due to their ability to retrieve from any part of the sequence via softmax based dot-product attention. This mechanism plays a crucial role in Transformer's…

The state of the art in learning meaningful semantic representations of words is the Transformer model and its attention mechanisms. Simply put, the attention mechanisms learn to attend to specific parts of the input dispensing recurrence…

Transformers have become methods of choice in many applications thanks to their ability to represent complex interactions between elements. However, extending the Transformer architecture to non-sequential data such as molecules and…

Structured data, which constitutes a significant portion of existing data types, has been a long-standing research topic in the field of machine learning. Various representation learning methods for tabular data have been proposed, ranging…

We introduce the Momentum Transformer, an attention-based deep-learning architecture, which outperforms benchmark time-series momentum and mean-reversion trading strategies. Unlike state-of-the-art Long Short-Term Memory (LSTM)…

Transformers have become one of the dominant architectures in deep learning, particularly as a powerful alternative to convolutional neural networks (CNNs) in computer vision. However, Transformer training and inference in previous works…

In pursuit of faster computation, Efficient Transformers demonstrate an impressive variety of approaches -- models attaining sub-quadratic attention complexity can utilize a notion of sparsity or a low-rank approximation of inputs to reduce…

In this work, we propose a novel methodology for self-supervised learning for generating global and local attention-aware visual features. Our approach is based on training a model to differentiate between specific image transformations of…

Transformer-based methods have shown impressive performance in image restoration tasks, such as image super-resolution and denoising. However, we find that these networks can only utilize a limited spatial range of input information through…

Attention mechanisms represent a fundamental paradigm shift in neural network architectures, enabling models to selectively focus on relevant portions of input sequences through learned weighting functions. This monograph provides a…

The self-attention mechanism has been a key factor in the advancement of vision Transformers. However, its quadratic complexity imposes a heavy computational burden in high-resolution scenarios, restricting the practical application.…

Transformer architectures are now central to sequence modeling tasks. At its heart is the attention mechanism, which enables effective modeling of long-term dependencies in a sequence. Recently, transformers have been successfully applied…

Transformers have revolutionized deep learning in numerous fields, including natural language processing, computer vision, and audio processing. Their strength lies in their attention mechanism, which allows for the discovering of complex…

Most machine learning models for molecular property prediction rely on a single molecular representation (either a sequence, a graph, or a 3D structure) and treat molecular geometry as static. We present MolFM-Lite, a multi-modal model that…

In this paper, we introduce the prior knowledge, multi-scale structure, into self-attention modules. We propose a Multi-Scale Transformer which uses multi-scale multi-head self-attention to capture features from different scales. Based on…

The remarkable success of transformers in sequence modeling tasks, spanning various applications in natural language processing and computer vision, is attributed to the critical role of self-attention. Similar to the development of most…

Amos et al. (2024) showed that the accuracy of Transformer models in sequence classification can be significantly improved by first pretraining with a masked token prediction objective without external data or augmentation, a procedure…

Transformer-based deep learning models have achieved state-of-the-art performance across numerous language and vision tasks. While the self-attention mechanism, a core component of transformers, has proven capable of handling complex data…