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High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…

Quantum Physics · Physics 2019-10-29 Alain Tchagang , Julio Valdés

We propose a supervised learning algorithm for machine learning applications. Contrary to the model developing in the classical methods, which treat training, validation, and test as separate steps, in the presented approach, there is a…

Machine Learning · Computer Science 2019-09-24 Soheil Mehrabkhani

Fine-tuning pre-trained transformers is a powerful technique for enhancing the performance of base models on specific tasks. From early applications in models like BERT to fine-tuning Large Language Models (LLMs), this approach has been…

Computation and Language · Computer Science 2025-02-25 Suneel Nadipalli

It is widely known that very small datasets produce overfitting in Deep Neural Networks (DNNs), i.e., the network becomes highly biased to the data it has been trained on. This issue is often alleviated using transfer learning,…

Computer Vision and Pattern Recognition · Computer Science 2020-07-02 Manuel Rey-Area , Emilio Guirado , Siham Tabik , Javier Ruiz-Hidalgo

Deep Reinforcement Learning has shown significant progress in extracting useful representations from high-dimensional inputs albeit using hand-crafted auxiliary tasks and pseudo rewards. Automatically learning such representations in an…

Machine Learning · Computer Science 2023-06-28 Somjit Nath , Gopeshh Raaj Subbaraj , Khimya Khetarpal , Samira Ebrahimi Kahou

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

Many real-world networks are characterized by directionality; however, the absence of an appropriate Fourier basis hinders the effective implementation of graph signal processing techniques. Inspired by discrete signal processing, where…

Information Theory · Computer Science 2024-07-30 Ali Bagheri Bardi , Taher Yazdanpanah , Milos Dakovic , Ljubisa Stankovic

We propose the Interferometric Graph Transform (IGT), which is a new class of deep unsupervised graph convolutional neural network for building graph representations. Our first contribution is to propose a generic, complex-valued spectral…

Machine Learning · Computer Science 2020-06-11 Edouard Oyallon

How could the Fourier and other transforms be naturally discovered if one didn't know how to postulate them? In the case of the Discrete Fourier Transform (DFT), we show how it arises naturally out of analysis of circulant matrices. In…

Signal Processing · Electrical Eng. & Systems 2022-04-27 Bassam Bamieh

Automatically finding good and general remote sensing representations allows to perform transfer learning on a wide range of applications - improving the accuracy and reducing the required number of training samples. This paper investigates…

Computer Vision and Pattern Recognition · Computer Science 2020-10-02 Maxim Neumann , André Susano Pinto , Xiaohua Zhai , Neil Houlsby

Transformers serve as the backbone architectures of Foundational Models, where domain-specific tokenizers allow them to adapt to various domains. Graph Transformers (GTs) have recently emerged as leading models in geometric deep learning,…

Neural and Evolutionary Computing · Computer Science 2025-04-03 Limei Wang , Kaveh Hassani , Si Zhang , Dongqi Fu , Baichuan Yuan , Weilin Cong , Zhigang Hua , Hao Wu , Ning Yao , Bo Long

The recent rise of generative artificial intelligence (AI), powered by Transformer networks, has achieved remarkable success in natural language processing, computer vision, and graphics. However, the application of Transformers in…

Graphics · Computer Science 2025-09-01 Qiang Zou , Lizhen Zhu

Genetic Programming (GP) is an evolutionary algorithm commonly used for machine learning tasks. In this paper we present a method that allows GP to transform the representation of a large-scale machine learning dataset into a more compact…

Neural and Evolutionary Computing · Computer Science 2018-02-21 Lino Rodriguez-Coayahuitl , Alicia Morales-Reyes , Hugo Jair Escalante

The transformer architecture has demonstrated remarkable capabilities in modern artificial intelligence, among which the capability of implicitly learning an internal model during inference time is widely believed to play a key role in the…

Machine Learning · Computer Science 2026-02-10 Zhiheng Chen , Ruofan Wu , Guanhua Fang

Machine Translation models are trained to translate a variety of documents from one language into another. However, models specifically trained for a particular characteristics of the documents tend to perform better. Fine-tuning is a…

Computation and Language · Computer Science 2019-10-09 Alberto Poncelas , Gideon Maillette de Buy Wenniger , Andy Way

We propose a novel class of neural network-like parametrized functions, i.e., general transformation neural networks (GTNNs), for high-dimensional approximation. Conventional deep neural networks sometimes perform less accurately on…

Numerical Analysis · Mathematics 2026-02-25 Xiaoyang Wang , Yiqi Gu

To improve the accessibility of smart devices and to simplify their usage, building models which understand user interfaces (UIs) and assist users to complete their tasks is critical. However, unique challenges are proposed by UI-specific…

Computer Vision and Pattern Recognition · Computer Science 2021-08-11 Chongyang Bai , Xiaoxue Zang , Ying Xu , Srinivas Sunkara , Abhinav Rastogi , Jindong Chen , Blaise Aguera y Arcas

Digital Signal Processing (DSP) and Digital Image Processing (DIP) with Machine Learning (ML) and Deep Learning (DL) are popular research areas in Computer Vision and related fields. We highlight transformative applications in image…

Graph Transformers (GTs) have shown advantages in numerous graph structure tasks but their self-attention mechanism ignores the generalization bias of graphs, with existing methods mainly compensating for this bias from aspects like…

Machine Learning · Computer Science 2025-04-29 Yonghui Zhai , Yang Zhang , Minghao Shang , Lihua Pang , Yaxin Ren

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi