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Tabular data inherently exhibits significant feature heterogeneity, but existing transformer-based methods lack specialized mechanisms to handle this property. To bridge the gap, we propose MAYA, an encoder-decoder transformer-based…

Machine Learning · Computer Science 2025-09-23 Xuechen Li , Yupeng Li , Jian Liu , Xiaolin Jin , Xin Hu

Self-supervised learning holds promise to revolutionize molecule property prediction - a central task to drug discovery and many more industries - by enabling data efficient learning from scarce experimental data. Despite significant…

The pursuit of reducing the memory footprint of the self-attention mechanism in multi-headed self attention (MHA) spawned a rich portfolio of methods, e.g., group-query attention (GQA) and multi-head latent attention (MLA). The methods…

Machine Learning · Computer Science 2026-04-01 Timon Klein , Jonas Kusch , Sebastian Sager , Stefan Schnake , Steffen Schotthöfer

Deep reinforcement learning (RL) has recently led to many breakthroughs on a range of complex control tasks. However, the agent's decision-making process is generally not transparent. The lack of interpretability hinders the applicability…

Computer Vision and Pattern Recognition · Computer Science 2021-03-22 Wenjie Shi , Gao Huang , Shiji Song , Zhuoyuan Wang , Tingyu Lin , Cheng Wu

High-dimensional, heterogeneous data with complex feature interactions pose significant challenges for traditional predictive modeling approaches. While Projection to Latent Structures (PLS) remains a popular technique, it struggles to…

Machine Learning · Computer Science 2025-10-21 Farwa Abbas , Hussain Ahmad , Claudia Szabo

Block-wise sparse attention offers significant efficiency gains for long-context modeling, yet existing methods often suffer from low selection fidelity and cumulative contextual loss by completely discarding unselected blocks. To address…

Computation and Language · Computer Science 2026-02-02 Bailin Wang , Dan Friedman , Tao Lei , Chong Wang

Tabular data serves as the backbone of modern data analysis and scientific research. While Large Language Models (LLMs) fine-tuned via Supervised Fine-Tuning (SFT) have significantly improved natural language interaction with such…

The attention mechanism is a core component of the Transformer architecture. Various methods have been developed to compute attention scores, including multi-head attention (MHA), multi-query attention, group-query attention and so on. We…

Adversarial inverse reinforcement learning (IRL) for multi-agent task allocation (MATA) is challenged by non-stationary interactions and high-dimensional coordination. Unconstrained reward inference in these settings often leads to high…

Machine Learning · Computer Science 2026-02-10 Huilin Yin , Zhikun Yang , Linchuan Zhang , Daniel Watzenig

Transformer-based sequential recommendation (SR) has been booming in recent years, with the self-attention mechanism as its key component. Self-attention has been widely believed to be able to effectively select those informative and…

Information Retrieval · Computer Science 2024-03-19 Peilin Zhou , Qichen Ye , Yueqi Xie , Jingqi Gao , Shoujin Wang , Jae Boum Kim , Chenyu You , Sunghun Kim

Large Language Models (LLMs), already shown to ace various unstructured text comprehension tasks, have also remarkably been shown to tackle table (structured) comprehension tasks without specific training. Building on earlier studies of…

Computation and Language · Computer Science 2025-08-27 Kushal Raj Bhandari , Sixue Xing , Soham Dan , Jianxi Gao

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

The Transformer architecture has significantly advanced deep learning, particularly in natural language processing, by effectively managing long-range dependencies. However, as the demand for understanding complex relationships grows,…

Computation and Language · Computer Science 2024-06-18 Qian Chen , Wen Wang , Qinglin Zhang , Siqi Zheng , Shiliang Zhang , Chong Deng , Hai Yu , Jiaqing Liu , Yukun Ma , Chong Zhang

Attention mechanisms have improved the performance of NLP tasks while allowing models to remain explainable. Self-attention is currently widely used, however interpretability is difficult due to the numerous attention distributions. Recent…

Computation and Language · Computer Science 2020-10-30 Khalil Mrini , Franck Dernoncourt , Quan Tran , Trung Bui , Walter Chang , Ndapa Nakashole

For person re-identification (re-id), attention mechanisms have become attractive as they aim at strengthening discriminative features and suppressing irrelevant ones, which matches well the key of re-id, i.e., discriminative feature…

Computer Vision and Pattern Recognition · Computer Science 2020-03-30 Zhizheng Zhang , Cuiling Lan , Wenjun Zeng , Xin Jin , Zhibo Chen

In recent years, the long-range attention mechanism of vision transformers has driven significant performance breakthroughs across various computer vision tasks. However, the traditional self-attention mechanism, which processes both…

Computer Vision and Pattern Recognition · Computer Science 2024-11-05 Tianyi Zhang , Baoxin Li , Jae-sun Seo , Yu Cao

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…

Machine Learning · Computer Science 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

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…

Machine Learning · Computer Science 2024-11-01 Rachel S. Y. Teo , Tan M. Nguyen

Numerous real-world decisions rely on machine learning algorithms and require calibrated uncertainty estimates. However, modern methods often yield overconfident, uncalibrated predictions. The dominant approach to quantifying the…

Most of the existing learning models, particularly deep neural networks, are reliant on large datasets whose hand-labeling is expensive and time demanding. A current trend is to make the learning of these models frugal and less dependent on…

Computer Vision and Pattern Recognition · Computer Science 2022-12-12 Sebastien Deschamps , Hichem Sahbi