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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…

化学物理 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算与语言 · 计算机科学 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…

音频与语音处理 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

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…

计算工程、金融与科学 · 计算机科学 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…

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),…

人工智能 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

生物大分子 · 定量生物学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 统计学 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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