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We present a novel and scalable label embedding framework for large-scale multi-label learning a.k.a ExMLDS (Extreme Multi-Label Learning using Distributional Semantics). Our approach draws inspiration from ideas rooted in distributional…

Machine Learning · Computer Science 2017-11-13 Rahul Wadbude , Vivek Gupta , Piyush Rai , Nagarajan Natarajan , Harish Karnick , Prateek Jain

This paper introduces a solid state-of-the-art baseline for a class-incremental semantic segmentation (CISS) problem. While the recent CISS algorithms utilize variants of the knowledge distillation (KD) technique to tackle the problem, they…

Computer Vision and Pattern Recognition · Computer Science 2021-11-23 Sungmin Cha , Beomyoung Kim , Youngjoon Yoo , Taesup Moon

The field of continual deep learning is an emerging field and a lot of progress has been made. However, concurrently most of the approaches are only tested on the task of image classification, which is not relevant in the field of…

Computer Vision and Pattern Recognition · Computer Science 2022-09-19 Tobias Kalb , Masoud Roschani , Miriam Ruf , Jürgen Beyerer

Sequential Recommendation System~(SRS) has become pivotal in modern society, which predicts subsequent actions based on the user's historical behavior. However, traditional collaborative filtering-based sequential recommendation models…

Information Retrieval · Computer Science 2025-11-26 Tianjie Dai , Xu Chen , Yunmeng Shu , Jinsong Lan , Xiaoyong Zhu , Jiangchao Yao , Bo Zheng

Password guessing approaches via deep learning have recently been investigated with significant breakthroughs in their ability to generate novel, realistic password candidates. In the present work we study a broad collection of deep…

Machine Learning · Computer Science 2020-12-18 David Biesner , Kostadin Cvejoski , Bogdan Georgiev , Rafet Sifa , Erik Krupicka

Despite the recent progress in medical image segmentation with scribble-based annotations, the segmentation results of most models are still not ro-bust and generalizable enough in open environments. Evidential deep learn-ing (EDL) has…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Yitong Yang , Xinli Xu , Haigen Hu , Haixia Long , Qianwei Zhou , Qiu Guan

Recently, deep generative models have revealed itself as a promising way of performing de novo molecule design. However, previous research has focused mainly on generating SMILES strings instead of molecular graphs. Although current graph…

Quantitative Methods · Quantitative Biology 2018-04-24 Yibo Li , Liangren Zhang , Zhenming Liu

Materials design aims to discover novel compounds with desired properties. However, prevailing strategies face critical trade-offs. Conventional element-substitution approaches readily and adaptively incorporate various domain knowledge but…

Superconductivity · Physics 2025-05-30 Akihiro Fujii , Anh Khoa Augustin Lu , Koji Shimizu , Satoshi Watanabe

The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

Machine Learning · Computer Science 2024-11-25 Xiangyu Zhang

Deep generative models have emerged as a powerful tool for learning useful molecular representations and designing novel molecules with desired properties, with applications in drug discovery and material design. However, most existing deep…

In this work, we introduce a method to fine-tune a Transformer-based generative model for molecular de novo design. Leveraging the superior sequence learning capacity of Transformers over Recurrent Neural Networks (RNNs), our model can…

Machine Learning · Computer Science 2024-03-11 Pengcheng Xu , Tao Feng , Tianfan Fu , Siddhartha Laghuvarapu , Jimeng Sun

Training-free embedding methods directly leverage pretrained large language models (LLMs) to embed text, bypassing the costly and complex procedure of contrastive learning. Previous training-free embedding methods have mainly focused on…

Computation and Language · Computer Science 2025-02-11 Raghuveer Thirukovalluru , Bhuwan Dhingra

Finding relevant and high-quality datasets to train machine learning models is a major bottleneck for practitioners. Furthermore, to address ambitious real-world use-cases there is usually the requirement that the data come labelled with…

Machine Learning · Computer Science 2023-10-05 Georgios Papadopoulos , Fran Silavong , Sean Moran

This work introduces a method to tune a sequence-based generative model for molecular de novo design that through augmented episodic likelihood can learn to generate structures with certain specified desirable properties. We demonstrate how…

Artificial Intelligence · Computer Science 2017-08-30 Marcus Olivecrona , Thomas Blaschke , Ola Engkvist , Hongming Chen

We introduce a Gaussian Prototype Layer for gradient-based prototype learning and demonstrate two novel network architectures for explainable segmentation one of which relies on region proposals. Both models are evaluated on agricultural…

Computer Vision and Pattern Recognition · Computer Science 2023-06-27 Michael Gerstenberger , Steffen Maaß , Peter Eisert , Sebastian Bosse

Although supervised learning has been highly successful in improving the state-of-the-art in the domain of image-based computer vision in the past, the margin of improvement has diminished significantly in recent years, indicating that a…

Computer Vision and Pattern Recognition · Computer Science 2023-05-24 Utku Ozbulak , Hyun Jung Lee , Beril Boga , Esla Timothy Anzaku , Homin Park , Arnout Van Messem , Wesley De Neve , Joris Vankerschaver

Self-supervised Learning (SSL) including the mainstream contrastive learning has achieved great success in learning visual representations without data annotations. However, most of methods mainly focus on the instance level information…

Computer Vision and Pattern Recognition · Computer Science 2021-07-26 Mingkai Zheng , Shan You , Fei Wang , Chen Qian , Changshui Zhang , Xiaogang Wang , Chang Xu

Semi-supervised medical image segmentation has attracted much attention in recent years because of the high cost of medical image annotations. In this paper, we propose a novel Inherent Consistent Learning (ICL) method, aims to learn robust…

Computer Vision and Pattern Recognition · Computer Science 2023-04-19 Ye Zhu , Jie Yang , Si-Qi Liu , Ruimao Zhang

Recent advances in generative models, such as diffusion models, have made generating high-quality synthetic images widely accessible. Prior works have shown that training on synthetic images improves many perception tasks, such as image…

Computer Vision and Pattern Recognition · Computer Science 2024-04-18 Jacob Schnell , Jieke Wang , Lu Qi , Vincent Tao Hu , Meng Tang

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo