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Despite the widespread success of self-supervised learning via masked language models (MLM), accurately capturing fine-grained semantic relationships in the biomedical domain remains a challenge. This is of paramount importance for…

Computation and Language · Computer Science 2021-04-08 Fangyu Liu , Ehsan Shareghi , Zaiqiao Meng , Marco Basaldella , Nigel Collier

This paper investigates two techniques for developing efficient self-supervised vision transformers (EsViT) for visual representation learning. First, we show through a comprehensive empirical study that multi-stage architectures with…

Computer Vision and Pattern Recognition · Computer Science 2022-07-08 Chunyuan Li , Jianwei Yang , Pengchuan Zhang , Mei Gao , Bin Xiao , Xiyang Dai , Lu Yuan , Jianfeng Gao

In the Vision-and-Language Navigation task, the embodied agent follows linguistic instructions and navigates to a specific goal. It is important in many practical scenarios and has attracted extensive attention from both computer vision and…

Computer Vision and Pattern Recognition · Computer Science 2022-01-27 Sinan Tan , Mengmeng Ge , Di Guo , Huaping Liu , Fuchun Sun

Molecular property prediction aims to learn representations that map chemical structures to functional properties. While multimodal learning has emerged as a powerful paradigm to learn molecular representations, prior works have largely…

Machine Learning · Computer Science 2026-03-03 Feng Jiang , Mangal Prakash , Hehuan Ma , Jianyuan Deng , Yuzhi Guo , Amina Mollaysa , Tommaso Mansi , Rui Liao , Junzhou Huang

This paper investigates the critical problem of representation similarity evolution during cross-domain transfer learning, with particular focus on understanding why pre-trained models maintain effectiveness when adapted to medical imaging…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Wenqiang Zu , Shenghao Xie , Hao Chen , Lei Ma

Recent works show that learning contextualized embeddings for words is beneficial for downstream tasks. BERT is one successful example of this approach. It learns embeddings by solving two tasks, which are masked language model (masked LM)…

Computation and Language · Computer Science 2020-11-10 Çağla Aksoy , Alper Ahmetoğlu , Tunga Güngör

Self-supervised learning has become increasingly important to leverage the abundance of unlabeled data available on platforms like YouTube. Whereas most existing approaches learn low-level representations, we propose a joint…

Computer Vision and Pattern Recognition · Computer Science 2019-09-13 Chen Sun , Austin Myers , Carl Vondrick , Kevin Murphy , Cordelia Schmid

Training data are usually limited or heterogeneous in many chemical and biological applications. Existing machine learning models for chemistry and materials science fail to consider generalizing beyond training domains. In this article, we…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Nicolas Courty , Shuting Jin , Stan Z. Li

General-purpose pretrained sentence encoders such as BERT are not ideal for real-world conversational AI applications; they are computationally heavy, slow, and expensive to train. We propose ConveRT (Conversational Representations from…

Computation and Language · Computer Science 2020-04-30 Matthew Henderson , Iñigo Casanueva , Nikola Mrkšić , Pei-Hao Su , Tsung-Hsien Wen , Ivan Vulić

Most pre-trained language models (PLMs) construct word representations at subword level with Byte-Pair Encoding (BPE) or its variations, by which OOV (out-of-vocab) words are almost avoidable. However, those methods split a word into…

Computation and Language · Computer Science 2021-05-17 Wentao Ma , Yiming Cui , Chenglei Si , Ting Liu , Shijin Wang , Guoping Hu

Deep Learning has been shown to learn efficient representations for structured data such as image, text or audio. In this chapter, we present neural network architectures that are able to learn efficient representations of molecules and…

Computational Physics · Physics 2018-12-13 Kristof T. Schütt , Alexandre Tkatchenko , Klaus-Robert Müller

Language model pre-training has proven to be useful in learning universal language representations. As a state-of-the-art language model pre-training model, BERT (Bidirectional Encoder Representations from Transformers) has achieved amazing…

Computation and Language · Computer Science 2020-02-06 Chi Sun , Xipeng Qiu , Yige Xu , Xuanjing Huang

Representation learning is a critical ingredient for natural language processing systems. Recent Transformer language models like BERT learn powerful textual representations, but these models are targeted towards token- and sentence-level…

Computation and Language · Computer Science 2020-05-21 Arman Cohan , Sergey Feldman , Iz Beltagy , Doug Downey , Daniel S. Weld

In recent years, pre-trained models have become dominant in most natural language processing (NLP) tasks. However, in the area of Automated Essay Scoring (AES), pre-trained models such as BERT have not been properly used to outperform other…

Computation and Language · Computer Science 2022-05-24 Yongjie Wang , Chuan Wang , Ruobing Li , Hui Lin

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

Chemical Physics · Physics 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

With the emergence of Transformer architectures and their powerful understanding of textual data, a new horizon has opened up to predict the molecular properties based on text description. While SMILES are the most common form of…

Chemical Physics · Physics 2023-10-11 Suryanarayanan Balaji , Rishikesh Magar , Yayati Jadhav , Amir Barati Farimani

Transformers-based models, such as BERT, have dramatically improved the performance for various natural language processing tasks. The clinical knowledge enriched model, namely ClinicalBERT, also achieved state-of-the-art results when…

Computation and Language · Computer Science 2022-04-18 Yikuan Li , Ramsey M. Wehbe , Faraz S. Ahmad , Hanyin Wang , Yuan Luo

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

Machine Learning · Computer Science 2025-05-28 Daniil A. Boiko , Thiago Reschützegger , Benjamin Sanchez-Lengeling , Samuel M. Blau , Gabe Gomes

This paper presents a novel approach to accurately classify the hallmarks of cancer, which is a crucial task in cancer research. Our proposed method utilizes the Bidirectional Encoder Representations from Transformers (BERT) architecture,…

Computation and Language · Computer Science 2023-06-08 Sultan Zavrak , Seyhmus Yilmaz

Deep learning is changing many areas in molecular physics, and it has shown great potential to deliver new solutions to challenging molecular modeling problems. Along with this trend arises the increasing demand of expressive and versatile…

Machine Learning · Computer Science 2023-12-27 Jun Zhang , Yao-Kun Lei , Yaqiang Zhou , Yi Isaac Yang , Yi Qin Gao
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