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Molecular representation learning plays an essential role in cheminformatics. Recently, language model-based approaches have gained popularity as an alternative to traditional expert-designed features to encode molecules. However, these…

Machine Learning · Computer Science 2022-04-19 Zhihui Guo , Pramod Sharma , Andy Martinez , Liang Du , Robin Abraham

Word embeddings are representations of individual words of a text document in a vector space and they are often use- ful for performing natural language pro- cessing tasks. Current state of the art al- gorithms for learning word embeddings…

Computation and Language · Computer Science 2018-05-15 Prathusha Kameswara Sarma , Bill Sethares

Self-supervised learning representation (SSLR) has demonstrated its significant effectiveness in automatic speech recognition (ASR), mainly with clean speech. Recent work pointed out the strength of integrating SSLR with single-channel…

Sound · Computer Science 2022-10-20 Yoshiki Masuyama , Xuankai Chang , Samuele Cornell , Shinji Watanabe , Nobutaka Ono

Although supervised deep learning has revolutionized speech and audio processing, it has necessitated the building of specialist models for individual tasks and application scenarios. It is likewise difficult to apply this to dialects and…

Referring expression segmentation (RES), a task that involves localizing specific instance-level objects based on free-form linguistic descriptions, has emerged as a crucial frontier in human-AI interaction. It demands an intricate…

Computer Vision and Pattern Recognition · Computer Science 2024-02-13 Ying Zang , Chenglong Fu , Runlong Cao , Didi Zhu , Min Zhang , Wenjun Hu , Lanyun Zhu , Tianrun Chen

Automated representation learning is behind many recent success stories in machine learning. It is often used to transfer knowledge learned from a large dataset (e.g., raw text) to tasks for which only a small number of training examples…

Social and Information Networks · Computer Science 2019-07-02 Shimei Pan , Tao Ding

Self-supervised learning (SSL) aims to eliminate one of the major bottlenecks in representation learning - the need for human annotations. As a result, SSL holds the promise to learn representations from data in-the-wild, i.e., without the…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 Senthil Purushwalkam , Pedro Morgado , Abhinav Gupta

Sequence labeling (SL) is a fundamental research problem encompassing a variety of tasks, e.g., part-of-speech (POS) tagging, named entity recognition (NER), text chunking, etc. Though prevalent and effective in many downstream applications…

Computation and Language · Computer Science 2020-11-16 Zhiyong He , Zanbo Wang , Wei Wei , Shanshan Feng , Xianling Mao , Sheng Jiang

Learning to recognize new keywords with just a few examples is essential for personalizing keyword spotting (KWS) models to a user's choice of keywords. However, modern KWS models are typically trained on large datasets and restricted to a…

Audio and Speech Processing · Electrical Eng. & Systems 2021-06-07 Abhijeet Awasthi , Kevin Kilgour , Hassan Rom

Virtual screening is a technique used in drug discovery to select the most promising molecules to test in a lab. To perform virtual screening, we need a large set of molecules as input, and storing these molecules can become an issue. In…

Computational Engineering, Finance, and Science · Computer Science 2024-05-01 Gianmarco Accordi , Davide Gadioli , Giorgio Seguini , Andrea R. Beccari , Gianluca Palermo

Identification of high affinity drug-target interactions is a major research question in drug discovery. Proteins are generally represented by their structures or sequences. However, structures are available only for a small subset of…

Machine Learning · Computer Science 2020-12-22 Rıza Özçelik , Hakime Öztürk , Arzucan Özgür , Elif Ozkirimli

Machine learning has transformed material discovery for inorganic compounds and small molecules, yet polymers remain largely inaccessible to these methods. While data scarcity is often cited as the primary bottleneck, we demonstrate that…

Machine Learning · Computer Science 2025-12-09 Jihun Ahn , Gabriella Pasya Irianti , Vikram Thapar , Su-Mi Hur

Spectral Embedding (SE) has often been used to map data points from non-linear manifolds to linear subspaces for the purpose of classification and clustering. Despite significant advantages, the subspace structure of data in the original…

Computer Vision and Pattern Recognition · Computer Science 2023-05-16 Hira Yaseen , Arif Mahmood

Semiparametric language models (LMs) have shown promise in continuously learning from new text data by combining a parameterized neural LM with a growable non-parametric memory for memorizing new content. However, conventional…

Computation and Language · Computer Science 2023-03-03 Guangyue Peng , Tao Ge , Si-Qing Chen , Furu Wei , Houfeng Wang

Recent developments in Large Language Model (LLM) capabilities have brought great potential but also posed new risks. For example, LLMs with knowledge of bioweapons, advanced chemistry, or cyberattacks could cause violence if placed in the…

Machine Learning · Computer Science 2025-03-17 Matthew Khoriaty , Andrii Shportko , Gustavo Mercier , Zach Wood-Doughty

AI for drug discovery has been a research hotspot in recent years, and SMILES-based language models has been increasingly applied in drug molecular design. However, no work has explored whether and how language models understand the…

Machine Learning · Computer Science 2024-01-17 Xiuyuan Hu , Guoqing Liu , Yang Zhao , Hao Zhang

Self-Supervised Learning (SSL) methods harness the concept of semantic invariance by utilizing data augmentation strategies to produce similar representations for different deformations of the same input. Essentially, the model captures the…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Huijie Guo , Ying Ba , Jie Hu , Lingyu Si , Wenwen Qiang , Lei Shi

Sequential recommendation (SR) aims to capture users' dynamic interests and sequential patterns based on their historical interactions. Recently, the powerful capabilities of large language models (LLMs) have driven their adoption in SR.…

Information Retrieval · Computer Science 2025-09-03 Yuhao Wang , Junwei Pan , Xinhang Li , Maolin Wang , Yuan Wang , Yue Liu , Dapeng Liu , Jie Jiang , Xiangyu Zhao

Linearized string representations serve as the foundation of scalable autoregressive molecular generation; however, they introduce a fundamental modality mismatch where a single molecular graph maps to multiple distinct sequences. This…

Machine Learning · Computer Science 2026-03-27 Xinyu Wang , Fei Dou , Jinbo Bi , Minghu Song

Self-supervised Learning (SSL) has recently gained much attention due to the high cost and data limitation in the training of supervised learning models. The current paradigm in the SSL is to utilize data augmentation at the input space to…

Computer Vision and Pattern Recognition · Computer Science 2022-06-17 Tariq Bdair , Hossam Abdelhamid , Nassir Navab , Shadi Albarqouni