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Understanding structure-property relationships is an essential yet challenging aspect of materials discovery and development. To facilitate this process, recent studies in materials informatics have sought latent embedding spaces of crystal…

Machine Learning · Computer Science 2025-06-23 Yuta Suzuki , Tatsunori Taniai , Ryo Igarashi , Kotaro Saito , Naoya Chiba , Yoshitaka Ushiku , Kanta Ono

This paper highlights a shift in how to approach material generation. Instead of material-to-material, we propose a language-to-material generation architecture that utilizes millions of untapped data points. Using a web scraper to collect…

Computation and Language · Computer Science 2023-11-15 Neel Redkar

Recent work has shown the potential of graph neural networks to efficiently predict material properties, enabling high-throughput screening of materials. Training these models, however, often requires large quantities of labelled data,…

Machine Learning · Computer Science 2022-11-28 Teddy Koker , Keegan Quigley , Will Spaeth , Nathan C. Frey , Lin Li

Contrastive learning (CL) is a popular technique for self-supervised learning (SSL) of visual representations. It uses pairs of augmentations of unlabeled training examples to define a classification task for pretext learning of a deep…

Computer Vision and Pattern Recognition · Computer Science 2020-10-26 Chih-Hui Ho , Nuno Vasconcelos

Multimodal models, such as the Contrastive Language-Image Pre-training (CLIP) model, have demonstrated remarkable success in aligning visual and linguistic representations. However, these models exhibit limitations when applied to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-02 Hiroshi Sasaki

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…

Materials Science · Physics 2025-02-25 Zhuoyuan Li , Siyu Liu , Beilin Ye , David J. Srolovitz , Tongqi Wen

Recent advances in Large Language Models (LLMs) have stimulated a surge of research aimed at extending their applications to the visual domain. While these models exhibit promise in generating abstract image captions and facilitating…

Computation and Language · Computer Science 2023-10-27 Geewook Kim , Hodong Lee , Daehee Kim , Haeji Jung , Sanghee Park , Yoonsik Kim , Sangdoo Yun , Taeho Kil , Bado Lee , Seunghyun Park

Contrastive learning is a representation learning method performed by contrasting a sample to other similar samples so that they are brought closely together, forming clusters in the feature space. The learning process is typically…

Machine Learning · Computer Science 2022-09-28 Valentino Vito , Lim Yohanes Stefanus

Contrastive learning (CL) has achieved astonishing progress in computer vision, speech, and natural language processing fields recently with self-supervised learning. However, CL approach to the supervised setting is not fully explored,…

Computation and Language · Computer Science 2022-05-23 Zhenyu Zhang , Yuming Zhao , Meng Chen , Xiaodong He

Trapped by the label scarcity in molecular property prediction and drug design, graph contrastive learning (GCL) came forward. Leading contrastive learning works show two kinds of view generators, that is, random or learnable data…

Machine Learning · Computer Science 2025-01-16 Xueyuan Chen , Shangzhe Li , Ruomei Liu , Bowen Shi , Jiaheng Liu , Junran Wu , Ke Xu

Open-vocabulary audio language models (ALMs), like Contrastive Language Audio Pretraining (CLAP), represent a promising new paradigm for audio-text retrieval using natural language queries. In this paper, for the first time, we perform…

We introduce CLaMP: Contrastive Language-Music Pre-training, which learns cross-modal representations between natural language and symbolic music using a music encoder and a text encoder trained jointly with a contrastive loss. To pre-train…

Sound · Computer Science 2023-10-19 Shangda Wu , Dingyao Yu , Xu Tan , Maosong Sun

Pre-trained Language Models (PLMs) have achieved remarkable performance gains across numerous downstream tasks in natural language understanding. Various Chinese PLMs have been successively proposed for learning better Chinese language…

Computation and Language · Computer Science 2022-09-16 Borun Chen , Hongyin Tang , Jiahao Bu , Kai Zhang , Jingang Wang , Qifan Wang , Hai-Tao Zheng , Wei Wu , Liqian Yu

Due to high data demands of current methods, attention to zero-shot cross-lingual spoken language understanding (SLU) has grown, as such approaches greatly reduce human annotation effort. However, existing models solely rely on shared…

Computation and Language · Computer Science 2022-04-19 Libo Qin , Qiguang Chen , Tianbao Xie , Qixin Li , Jian-Guang Lou , Wanxiang Che , Min-Yen Kan

Designing crystal materials with desired physicochemical properties remains a fundamental challenge in materials science. While large language models (LLMs) have demonstrated strong in-context learning (ICL) capabilities, existing LLM-based…

Machine Learning · Computer Science 2025-08-29 Ruobing Wang , Qiaoyu Tan , Yili Wang , Ying Wang , Xin Wang

Recent multimodal models such as Contrastive Language-Image Pre-training (CLIP) have shown remarkable ability to align visual and linguistic representations. However, domains where small visual differences carry large semantic significance,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Hiroshi Sasaki

Contrastive learning (CL) methods effectively learn data representations in a self-supervision manner, where the encoder contrasts each positive sample over multiple negative samples via a one-vs-many softmax cross-entropy loss. By…

Machine Learning · Computer Science 2023-08-16 Huangjie Zheng , Xu Chen , Jiangchao Yao , Hongxia Yang , Chunyuan Li , Ya Zhang , Hao Zhang , Ivor Tsang , Jingren Zhou , Mingyuan Zhou

Contrastive Learning (CL) has been successfully applied to classification and other downstream tasks related to concrete concepts, such as objects contained in the ImageNet dataset. No attempts seem to have been made so far in applying this…

Machine Learning · Computer Science 2025-05-30 Daniel N. Nissani

Graph Contrastive Learning (GCL) establishes a new paradigm for learning graph representations without human annotations. Although remarkable progress has been witnessed recently, the success behind GCL is still left somewhat mysterious. In…

Machine Learning · Computer Science 2021-10-27 Yanqiao Zhu , Yichen Xu , Qiang Liu , Shu Wu

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes…

Machine Learning · Computer Science 2022-03-14 Yin Fang , Qiang Zhang , Haihong Yang , Xiang Zhuang , Shumin Deng , Wen Zhang , Ming Qin , Zhuo Chen , Xiaohui Fan , Huajun Chen
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