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For deep learning practitioners, hyperparameter tuning for optimizing model performance can be a computationally expensive task. Though visualization can help practitioners relate hyperparameter settings to overall model performance,…

Human-Computer Interaction · Computer Science 2021-05-26 Hyekang Joo , Calvin Bao , Ishan Sen , Furong Huang , Leilani Battle

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Hyperparameter tuning is one of the the most time-consuming parts in machine learning. Despite the existence of modern optimization algorithms that minimize the number of evaluations needed, evaluations of a single setting may still be…

Machine Learning · Computer Science 2024-03-27 Philip Buczak , Andreas Groll , Markus Pauly , Jakob Rehof , Daniel Horn

Transformer models have achieved state-of-the-art performance on various domains of applications and gradually becomes the foundations of the advanced large deep learning (DL) models. However, how to train these models over multiple GPUs…

Machine Learning · Computer Science 2022-11-28 Xupeng Miao , Yujie Wang , Youhe Jiang , Chunan Shi , Xiaonan Nie , Hailin Zhang , Bin Cui

Parameter-efficient fine-tuning methods (PEFTs) offer the promise of adapting large pre-trained models while only tuning a small number of parameters. They have been shown to be competitive with full model fine-tuning for many downstream…

Computation and Language · Computer Science 2022-10-25 Ahmet Üstün , Asa Cooper Stickland

In contrast to large text corpora, knowledge graphs (KG) provide dense and structured representations of factual information. This makes them attractive for systems that supplement or ground the knowledge found in pre-trained language…

Computation and Language · Computer Science 2023-06-06 Sondre Wold , Lilja Øvrelid , Erik Velldal

Knowledge graph completion (KGC) is the task of inferencing missing facts from any given knowledge graphs (KG). Previous KGC methods typically represent knowledge graph entities and relations as trainable continuous embeddings and fuse the…

Computation and Language · Computer Science 2023-07-13 Chen Chen , Yufei Wang , Yang Zhang , Quan Z. Sheng , Kwok-Yan Lam

Deep learning models are defined in terms of a large number of hyperparameters, such as network architectures and optimiser settings. These hyperparameters must be determined separately from the model parameters such as network weights, and…

High Energy Physics - Phenomenology · Physics 2024-10-22 Juan Cruz-Martinez , Aaron Jansen , Gijs van Oord , Tanjona R. Rabemananjara , Carlos M. R. Rocha , Juan Rojo , Roy Stegeman

Knowledge graph embedding (KGE) that maps entities and relations into vector representations is essential for downstream applications. Conventional KGE methods require high-dimensional representations to learn the complex structure of…

Machine Learning · Computer Science 2024-09-04 Borui Cai , Yong Xiang , Longxiang Gao , Di Wu , He Zhang , Jiong Jin , Tom Luan

Knowledge Graphs (KGs) are graph-structured knowledge bases storing factual information about real-world entities. Understanding the uniqueness of each entity is crucial to the analyzing, sharing, and reusing of KGs. Traditional profiling…

Artificial Intelligence · Computer Science 2020-03-03 Xiang Zhang , Qingqing Yang , Jinru Ding , Ziyue Wang

First-order methods such as stochastic gradient descent (SGD) are currently the standard algorithm for training deep neural networks. Second-order methods, despite their better convergence rate, are rarely used in practice due to the…

Machine Learning · Computer Science 2019-09-26 Tianle Cai , Ruiqi Gao , Jikai Hou , Siyu Chen , Dong Wang , Di He , Zhihua Zhang , Liwei Wang

Nowadays, GPU accelerators are commonly used to speed up general-purpose computing tasks on a variety of hardware. However, due to the diversity of GPU architectures and processed data, optimization of codes for a particular type of…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-20 Jiří Filipovič , Jana Hozzová , Amin Nezarat , Jaroslav Oľha , Filip Petrovič

Neural networks often struggle with high-dimensional but small sample-size tabular datasets. One reason is that current weight initialisation methods assume independence between weights, which can be problematic when there are insufficient…

Machine Learning · Computer Science 2024-08-20 Andrei Margeloiu , Nikola Simidjievski , Pietro Lio , Mateja Jamnik

Recently decades have witnessed the empirical success of framing Knowledge Graph (KG) embeddings via language models. However, language model-based KG embeddings are usually deployed as static artifacts, making them difficult to modify…

Computation and Language · Computer Science 2023-12-29 Siyuan Cheng , Ningyu Zhang , Bozhong Tian , Xi Chen , Qingbing Liu , Huajun Chen

With the ever-increasing number of pretrained models, machine learning practitioners are continuously faced with which pretrained model to use, and how to finetune it for a new dataset. In this paper, we propose a methodology that jointly…

Machine Learning · Computer Science 2024-02-26 Sebastian Pineda Arango , Fabio Ferreira , Arlind Kadra , Frank Hutter , Josif Grabocka

Graph Neural Networks (GNNs) exploit signals from node features and the input graph topology to improve node classification task performance. However, these models tend to perform poorly on heterophilic graphs, where connected nodes have…

Machine Learning · Computer Science 2021-12-08 Vijay Lingam , Chanakya Ekbote , Manan Sharma , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

Subgraph matching is a core operation in graph analytics, supporting a broad spectrum of applications from social network analysis to bioinformatics. Recent GPU-based approaches accelerate subgraph matching by leveraging parallelism but…

Databases · Computer Science 2026-04-14 Weitian Chen , Shixuan Sun , Cheng Chen , Yongmin Hu , Yingqian Hu , Minyi Guo

Graph Neural Networks (GNNs) have shown advantages in various graph-based applications. Most existing GNNs assume strong homophily of graph structure and apply permutation-invariant local aggregation of neighbors to learn a representation…

Machine Learning · Computer Science 2022-01-04 Tianmeng Yang , Yujing Wang , Zhihan Yue , Yaming Yang , Yunhai Tong , Jing Bai

Fine-tuning is a promising technique for leveraging Transformer-based language models in downstream tasks. As model sizes continue to grow, updating all model parameters becomes increasingly costly. Parameter-efficient fine-tuning methods…

Computation and Language · Computer Science 2025-06-27 Xiaoshuang Ji , Zhendong Zhao , Xiaojun Chen , Xin Zhao , Zeyao Liu

The success of large-scale language models like GPT can be attributed to their ability to efficiently predict the next token in a sequence. However, these models rely on constant computational effort regardless of the complexity of the…

Artificial Intelligence · Computer Science 2024-11-11 Kei-Sing Ng , Qingchen Wang
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