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The Transformer is a sequence model that forgoes traditional recurrent architectures in favor of a fully attention-based approach. Besides improving performance, an advantage of using attention is that it can also help to interpret a model…
Graph Neural Networks (GNNs) excel at relational reasoning but face two persistent challenges: the lack of interpretable attribution for heterogeneous node types, and the computational overhead of message passing over large, noisy graphs.…
Transformer is a powerful architecture that achieves superior performance on various sequence learning tasks, including neural machine translation, language understanding, and sequence prediction. At the core of the Transformer is the…
The self-attention mechanism, while foundational to modern Transformer architectures, suffers from a critical inefficiency: it frequently allocates substantial attention to redundant or noisy context. Differential Attention addressed this…
The increased availability and accuracy of eye-gaze tracking technology has sparked attention-related research in psychology, neuroscience, and, more recently, computer vision and artificial intelligence. The attention mechanism in…
Multi-head attention empowers the recent success of transformers, the state-of-the-art models that have achieved remarkable success in sequence modeling and beyond. These attention mechanisms compute the pairwise dot products between the…
The attention mechanism within the transformer architecture enables the model to weigh and combine tokens based on their relevance to the query. While self-attention has enjoyed major success, it notably treats all queries $q$ in the same…
Attention is a key component of Transformers, which have recently achieved considerable success in natural language processing. Hence, attention is being extensively studied to investigate various linguistic capabilities of Transformers,…
Graph Neural Networks (GNNs) are widely used on a variety of graph-based machine learning tasks. For node-level tasks, GNNs have strong power to model the homophily property of graphs (i.e., connected nodes are more similar) while their…
Standard transformer attention computes pairwise token similarity but treats all tokens as equally salient and all positions as equally local, regardless of the informational structure of the input. We identify two complementary inductive…
We introduce $\Sigma$-Attention, a Transformer-based operator-learning framework to address a key computational challenge in correlated materials. Our approach utilizes an Encoder-Only Transformer as an ansatz to approximate the self-energy…
Transformers have improved the state-of-the-art across numerous tasks in sequence modeling. Besides the quadratic computational and memory complexity w.r.t the sequence length, the self-attention mechanism only processes information at the…
We propose a graph-oriented attention-based explainability method for tabular data. Tasks involving tabular data have been solved mostly using traditional tree-based machine learning models which have the challenges of feature selection and…
Protein inverse folding, the task of predicting amino acid sequences for desired structures, is pivotal for de novo protein design. However, existing GNN-based methods typically suffer from restricted receptive fields that miss long-range…
The quadratic complexity of self-attention in Transformer models remains a significant bottleneck for processing long sequences and deploying large language models efficiently. For this approach, there has been significant research into…
In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our…
We present a novel graph neural network (GNN) architecture for retrieval-augmented generation (RAG) that leverages query-aware attention mechanisms and learned scoring heads to improve retrieval accuracy on complex, multi-hop questions.…
Transformer networks, driven by self-attention, are central to Large Language Models. In generative Transformers, self-attention uses cache memory to store token projections, avoiding recomputation at each time step. However, GPU-stored…
The quadratic complexity of dot-product attention introduced in Transformer remains a fundamental bottleneck impeding the progress of foundation models toward unbounded context lengths. Addressing this challenge, we introduce the Deep…
Dynamic graph learning plays a pivotal role in modeling evolving relationships over time, especially for temporal link prediction tasks in domains such as traffic systems, social networks, and recommendation platforms. While…