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In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

Machine Learning · Computer Science 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

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…

Machine Learning · Computer Science 2022-06-02 Tan Nguyen , Minh Pham , Tam Nguyen , Khai Nguyen , Stanley J. Osher , Nhat Ho

Designing a single neural network architecture that performs competitively across a range of molecule property prediction tasks remains largely an open challenge, and its solution may unlock a widespread use of deep learning in the drug…

Machine Learning · Computer Science 2021-02-10 Łukasz Maziarka , Tomasz Danel , Sławomir Mucha , Krzysztof Rataj , Jacek Tabor , Stanisław Jastrzębski

Transformers achieve strong performance across diverse domains but implicitly assume Euclidean geometry in their attention mechanisms, limiting their effectiveness on data with non-Euclidean structure. While recent extensions to hyperbolic…

Machine Learning · Computer Science 2025-10-03 Ryan Y. Lin , Siddhartha Ojha , Nicholas Bai

We introduce the Graded Transformer framework, a new class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending Graded Neural Networks (GNNs), we propose two architectures:…

Machine Learning · Computer Science 2025-09-03 Tony Shaska

Attention based language models have become a critical component in state-of-the-art natural language processing systems. However, these models have significant computational requirements, due to long training times, dense operations and…

Computation and Language · Computer Science 2021-06-11 Ivan Chelombiev , Daniel Justus , Douglas Orr , Anastasia Dietrich , Frithjof Gressmann , Alexandros Koliousis , Carlo Luschi

In the research area of image super-resolution, Swin-transformer-based models are favored for their global spatial modeling and shifting window attention mechanism. However, existing methods often limit self-attention to non overlapping…

Image and Video Processing · Electrical Eng. & Systems 2024-12-11 Song-Jiang Lai , Tsun-Hin Cheung , Ka-Chun Fung , Kai-wen Xue , Kin-Man Lam

Modern computational organic chemistry is becoming increasingly data-driven. There remain a large number of important unsolved problems in this area such as product prediction given reactants, drug discovery, and metric-optimized molecule…

Biomolecules · Quantitative Biology 2026-02-10 Josh Payne , Mario Srouji , Dian Ang Yap , Vineet Kosaraju

Transformers have reshaped machine learning by utilizing attention mechanisms to capture complex patterns in large datasets, leading to significant improvements in performance. This success has contributed to the belief that "bigger means…

Machine Learning · Computer Science 2025-05-28 Hemanth Saratchandran , Damien Teney , Simon Lucey

The Transformer translation model is based on the multi-head attention mechanism, which can be parallelized easily. The multi-head attention network performs the scaled dot-product attention function in parallel, empowering the model by…

Computation and Language · Computer Science 2021-09-13 Hongfei Xu , Qiuhui Liu , Josef van Genabith , Deyi Xiong

Mathematical reasoning is one of the most impressive achievements of human intellect but remains a formidable challenge for artificial intelligence systems. In this work we explore whether modern deep learning architectures can learn to…

Machine Learning · Computer Science 2022-07-07 Samuel Cognolato , Alberto Testolin

Transformers are state-of-the-art in a wide range of NLP tasks and have also been applied to many real-world products. Understanding the reliability and certainty of transformer model predictions is crucial for building trustable machine…

Computation and Language · Computer Science 2021-12-28 Jiahuan Pei , Cheng Wang , György Szarvas

Over the past decade, the Gr\"obner basis theory and automatic solver generation have lead to a large number of solutions to geometric vision problems. In practically all cases, the derived solvers apply a fixed elimination template to…

Computer Vision and Pattern Recognition · Computer Science 2024-01-18 Wanting Xu , Lan Hu , Manolis C. Tsakiris , Laurent Kneip

Session-based recommendation systems suggest relevant items to users by modeling user behavior and preferences using short-term anonymous sessions. Existing methods leverage Graph Neural Networks (GNNs) that propagate and aggregate…

Information Retrieval · Computer Science 2022-01-10 Sai Mitheran , Abhinav Java , Surya Kant Sahu , Arshad Shaikh

Graph Transformers (GTs) have demonstrated their advantages across a wide range of tasks. However, the self-attention mechanism in GTs overlooks the graph's inductive biases, particularly biases related to structure, which are crucial for…

Machine Learning · Computer Science 2024-04-25 Chuang Liu , Zelin Yao , Yibing Zhan , Xueqi Ma , Shirui Pan , Wenbin Hu

Can transformers generalize efficiently on problems that require dealing with examples with different levels of difficulty? We introduce a new task tailored to assess generalization over different complexities and present results that…

We here propose a novel hierarchical transformer model that adeptly integrates the feature extraction capabilities of Convolutional Neural Networks (CNNs) with the advanced representational potential of Vision Transformers (ViTs).…

Computer Vision and Pattern Recognition · Computer Science 2024-07-22 Xiaoya Tang , Bodong Zhang , Beatrice S. Knudsen , Tolga Tasdizen

Transformers have demonstrated remarkable performance in skeleton-based human action recognition, yet their quadratic computational complexity remains a bottleneck for real-world applications. To mitigate this, linear attention mechanisms…

Computer Vision and Pattern Recognition · Computer Science 2025-02-11 Yue Li , Haoxuan Qu , Mengyuan Liu , Jun Liu , Yujun Cai

Geometric Attention (GA) specifies an attention layer by four independent inputs: a finite carrier (what indices are addressable), an evidence-kernel rule (how masked proto-scores and a link induce nonnegative weights), a probe family…

Machine Learning · Computer Science 2026-01-21 Luis Rosario Freytes

Graph Transformer shows remarkable potential in brain network analysis due to its ability to model graph structures and complex node relationships. Most existing methods typically model the brain as a flat network, ignoring its modular…

Machine Learning · Computer Science 2025-11-25 Jiajun Ma , Yongchao Zhang , Chao Zhang , Zhao Lv , Shengbing Pei