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This study aims to build a pre-trained Graph Neural Network (GNN) model on molecules without human annotations or prior knowledge. Although various attempts have been proposed to overcome limitations in acquiring labeled molecules, the…

Machine Learning · Computer Science 2024-12-23 Van Thuy Hoang , O-Joun Lee

Artificial neural networks have successfully tackled a large variety of problems by training extremely deep networks via back-propagation. A direct application of back-propagation to spiking neural networks contains biologically implausible…

Neural and Evolutionary Computing · Computer Science 2021-11-29 Kyle Daruwalla , Mikko Lipasti

Feed-forward deep neural networks have been used extensively in various machine learning applications. Developing a precise understanding of the underling behavior of neural networks is crucial for their efficient deployment. In this paper,…

Information Theory · Computer Science 2016-03-22 Pejman Khadivi , Ravi Tandon , Naren Ramakrishnan

Few-shot learning (FSL), which aims to classify unseen classes with few samples, is challenging due to data scarcity. Although various generative methods have been explored for FSL, the entangled generation process of these methods…

Computer Vision and Pattern Recognition · Computer Science 2022-11-30 Zhuohang Dang , Jihong Wang , Minnan Luo , Chengyou Jia , Caixia Yan , Qinghua Zheng

Deep neural networks (DNNs) exhibit an exceptional capacity for generalization in practical applications. This work aims to capture the effect and benefits of depth for supervised learning via information-theoretic generalization bounds. We…

Machine Learning · Computer Science 2025-05-09 Haiyun He , Ziv Goldfeld

We study a distributed learning problem in which Alice sends a compressed distillation of a set of training data to Bob, who uses the distilled version to best solve an associated learning problem. We formalize this as a rate-distortion…

Information Theory · Computer Science 2018-10-30 Parinaz Farajiparvar , Ahmad Beirami , Matthew Nokleby

We show that if the conditional distribution p(C | T) factors through a sufficient statistic {\phi}(T), then the Information Bottleneck (IB) problem for (T, C) is exactly equivalent to the IB problem for ({\phi}(T), C). The reduction is…

Information Theory · Computer Science 2026-04-30 Joss Armstrong

Behavior Cloning (BC) is a widely adopted visual imitation learning method in robot manipulation. Current BC approaches often enhance generalization by leveraging large datasets and incorporating additional visual and textual modalities to…

Robotics · Computer Science 2025-05-14 Shuanghao Bai , Wanqi Zhou , Pengxiang Ding , Wei Zhao , Donglin Wang , Badong Chen

In real-world recommendation scenarios, users typically engage with platforms through multiple types of behavioral interactions. Multi-behavior recommendation algorithms aim to leverage various auxiliary user behaviors to enhance prediction…

Information Retrieval · Computer Science 2025-07-22 Hengyu Zhang , Chunxu Shen , Xiangguo Sun , Jie Tan , Yanchao Tan , Yu Rong , Hong Cheng , Lingling Yi

Split learning is a privacy-preserving distributed learning paradigm in which an ML model (e.g., a neural network) is split into two parts (i.e., an encoder and a decoder). The encoder shares so-called latent representation, rather than raw…

Machine Learning · Computer Science 2023-09-07 Omar Alhussein , Moshi Wei , Arashmid Akhavain

Generative modeling becomes increasingly data-intensive in high-dimensional spaces. In molecular science, where data collection is expensive and important events are rare, compression to lower-dimensional manifolds is especially important…

Machine Learning · Computer Science 2025-10-14 Richard John , Yunrui Qiu , Lukas Herron , Pratyush Tiwary

Graph neural networks(GNNs) have been demonstrated to depend on whether the node effective information is sufficiently passing. Discrete curvature (Ricci curvature) is used to study graph connectivity and information propagation efficiency…

Machine Learning · Computer Science 2024-12-31 Xingcheng Fu , Jian Wang , Yisen Gao , Qingyun Sun , Haonan Yuan , Jianxin Li , Xianxian Li

Large language models (LLMs) have recently demonstrated remarkable progress in reasoning capabilities through reinforcement learning with verifiable rewards (RLVR). By leveraging simple rule-based rewards, RL effectively incentivizes LLMs…

Artificial Intelligence · Computer Science 2025-07-25 Shiye Lei , Zhihao Cheng , Kai Jia , Dacheng Tao

Many unsupervised hashing methods are implicitly established on the idea of reconstructing the input data, which basically encourages the hashing codes to retain as much information of original data as possible. However, this requirement…

Computer Vision and Pattern Recognition · Computer Science 2021-05-20 Zexuan Qiu , Qinliang Su , Zijing Ou , Jianxing Yu , Changyou Chen

Deep learning achieves remarkable generalization capability with overwhelming number of model parameters. Theoretical understanding of deep learning generalization receives recent attention yet remains not fully explored. This paper…

Machine Learning · Computer Science 2017-11-22 Guanhua Zheng , Jitao Sang , Changsheng Xu

Fraud detection is crucial in social service networks to maintain user trust and improve service network security. Existing spectral graph-based methods address this challenge by leveraging different graph filters to capture signals with…

Machine Learning · Computer Science 2025-05-05 Wenxin Zhang , Ding Xu , Xi Xuan , Lei Jiang , Guangzhen Yao , Renda Han , Xiangxiang Lang , Cuicui Luo

Various approaches have been developed to upper bound the generalization error of a supervised learning algorithm. However, existing bounds are often loose and even vacuous when evaluated in practice. As a result, they may fail to…

Information Theory · Computer Science 2022-10-19 Gholamali Aminian , Yuheng Bu , Laura Toni , Miguel R. D. Rodrigues , Gregory W. Wornell

Lossy compression and clustering fundamentally involve a decision about what features are relevant and which are not. The information bottleneck method (IB) by Tishby, Pereira, and Bialek formalized this notion as an information-theoretic…

Neurons and Cognition · Quantitative Biology 2017-02-23 DJ Strouse , David J Schwab

Existing studies have demonstrated that adversarial examples can be directly attributed to the presence of non-robust features, which are highly predictive, but can be easily manipulated by adversaries to fool NLP models. In this study, we…

Computation and Language · Computer Science 2022-06-14 Cenyuan Zhang , Xiang Zhou , Yixin Wan , Xiaoqing Zheng , Kai-Wei Chang , Cho-Jui Hsieh

Exploiting recent developments in information theory, we propose, illustrate, and validate a principled information-theoretic algorithm for module discovery and resulting measure of network modularity. This measure is an order parameter (a…

Quantitative Methods · Quantitative Biology 2009-11-10 Etay Ziv , Manuel Middendorf , Chris Wiggins