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Nuclear magnetic resonance (NMR) spectroscopy provides an experimental readout of local chemical environments, but its use in molecular representation learning has been constrained by heterogeneous data and incomplete atom-level…

Chemical Physics · Physics 2026-05-12 Jiebin Fang , Zidi Yan , Churu Mao , Yongjun Jiang , Xinyi Tang , Lei Miao , Dan Lu , Yun Huang , Wanjing Ding , Zhongjun Ma

Recessive dystrophic epidermolysis bullosa (RDEB) is a rare genetic skin disorder for which clinicians greatly benefit from finding similar cases using images and clinical text. However, off-the-shelf foundation models do not reliably…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Fabian Kabus , Julia Hindel , Jelena Bratulić , Meropi Karakioulaki , Ayush Gupta , Cristina Has , Thomas Brox , Abhinav Valada , Harald Binder

Pre-trained multilingual language models such as mBERT have shown immense gains for several natural language processing (NLP) tasks, especially in the zero-shot cross-lingual setting. Most, if not all, of these pre-trained models rely on…

Computation and Language · Computer Science 2020-10-26 Aditi Chaudhary , Karthik Raman , Krishna Srinivasan , Jiecao Chen

Pre-trained model representations have demonstrated state-of-the-art performance in speech recognition, natural language processing, and other applications. Speech models, such as Bidirectional Encoder Representations from Transformers…

Audio and Speech Processing · Electrical Eng. & Systems 2023-03-07 Vikramjit Mitra , Vasudha Kowtha , Hsiang-Yun Sherry Chien , Erdrin Azemi , Carlos Avendano

Multimodal machine learning is a vibrant multi-disciplinary research field that aims to design computer agents with intelligent capabilities such as understanding, reasoning, and learning through integrating multiple communicative…

Machine Learning · Computer Science 2023-02-21 Paul Pu Liang , Amir Zadeh , Louis-Philippe Morency

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional…

Machine Learning · Computer Science 2025-10-20 Jiaxi Zhuang , Yaorui Shi , Jue Hou , Yunong He , Mingwei Ye , Mingjun Xu , Yuming Su , Linfeng Zhang , Ying Qian , Linfeng Zhang , Guolin Ke , Hengxing Cai

Today, the acquisition of various behavioral log data has enabled deeper understanding of customer preferences and future behaviors in the marketing field. In particular, multimodal deep learning has achieved highly accurate predictions by…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Junichiro Niimi

Multimodal self-supervised pretraining offers a promising route to cancer prognosis by integrating histopathology whole-slide images, gene expression, and pathology reports, yet most existing approaches require fully paired and complete…

Machine Learning · Computer Science 2026-04-08 Kai Yu , Shuang Zhou , Yiran Song , Zaifu Zhan , Jie Peng , Kaixiong Zhou , Tianlong Chen , Feng Xie , Meng Wang , Huazhu Fu , Mingquan Lin , Rui Zhang

Multimodality Representation Learning, as a technique of learning to embed information from different modalities and their correlations, has achieved remarkable success on a variety of applications, such as Visual Question Answering (VQA),…

Artificial Intelligence · Computer Science 2024-03-04 Muhammad Arslan Manzoor , Sarah Albarri , Ziting Xian , Zaiqiao Meng , Preslav Nakov , Shangsong Liang

Exploiting multiple modalities for semantic scene parsing has been shown to improve accuracy over the singlemodality scenario. However multimodal datasets often suffer from problems such as data misalignment and label inconsistencies, where…

Computer Vision and Pattern Recognition · Computer Science 2017-09-29 Sarah Taghavi Namin , Mohammad Najafi , Mathieu Salzmann , Lars Petersson

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

In the field of medical images, although various works find Swin Transformer has promising effectiveness on pixelwise dense prediction, whether pre-training these models without using extra dataset can further boost the performance for the…

Computer Vision and Pattern Recognition · Computer Science 2024-08-13 Xinrong Hu , Dewen Zeng , Yawen Wu , Xueyang Li , Yiyu Shi

This work explores the challenging problem of molecule design by framing it as a conditional generative modeling task, where target biological properties or desired chemical constraints serve as conditioning variables. We propose the Latent…

The learning objective of vision-language approach of CLIP does not effectively account for the noisy many-to-many correspondences found in web-harvested image captioning datasets, which contributes to its compute and data inefficiency. To…

Computer Vision and Pattern Recognition · Computer Science 2022-04-12 Alex Andonian , Shixing Chen , Raffay Hamid

Multimodal representation learning is a challenging task in which previous work mostly focus on either uni-modality pre-training or cross-modality fusion. In fact, we regard modeling multimodal representation as building a skyscraper, where…

Computation and Language · Computer Science 2024-08-15 Ronghao Lin , Haifeng Hu

Recent advancements in graph neural networks (GNNs) have significantly enhanced the prediction of material properties by modeling crystal structures as graphs. However, GNNs often struggle to capture global structural characteristics, such…

Machine Learning · Computer Science 2025-08-11 Jaewan Lee , Changyoung Park , Hongjun Yang , Sungbin Lim , Woohyung Lim , Sehui Han

Pre-trained Language Models have emerged as promising tools for predicting molecular properties, yet their development is in its early stages, necessitating further research to enhance their efficacy and address challenges such as…

Machine Learning · Computer Science 2023-10-24 Eduardo Soares , Akihiro Kishimoto , Emilio Vital Brazil , Seiji Takeda , Hiroshi Kajino , Renato Cerqueira

Multi-sensor clues have shown promise for object segmentation, but inherent noise in each sensor, as well as the calibration error in practice, may bias the segmentation accuracy. In this paper, we propose a novel approach by mining the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-08 Zongwei Wu , Jingjing Wang , Zhuyun Zhou , Zhaochong An , Qiuping Jiang , Cédric Demonceaux , Guolei Sun , Radu Timofte

Dictionary learning algorithms have been successfully used for both reconstructive and discriminative tasks, where an input signal is represented with a sparse linear combination of dictionary atoms. While these methods are mostly developed…

Machine Learning · Statistics 2016-01-20 Soheil Bahrampour , Nasser M. Nasrabadi , Asok Ray , W. Kenneth Jenkins

Transformers have gained increasing popularity in a wide range of applications, including Natural Language Processing (NLP), Computer Vision and Speech Recognition, because of their powerful representational capacity. However, harnessing…

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