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Related papers: Multimodal machine learning for materials science:…

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Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity,…

Machine Learning · Computer Science 2025-10-21 Yingxu Wang , Kunyu Zhang , Jiaxin Huang , Nan Yin , Siwei Liu , Eran Segal

Artificial intelligence has shown remarkable success in materials discovery and property prediction, particularly for crystalline and polymer systems where material properties and structures are dominated by discrete graph representations.…

Machine Learning · Computer Science 2026-05-20 Xinyao Li , Hangwei Qian , Jingjing Li , Lei Zhu , Ivor Tsang

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

Multi-modal learning is a fast growing area in artificial intelligence. It tries to help machines understand complex things by combining information from different sources, like images, text, and audio. By using the strengths of each…

Machine Learning · Computer Science 2025-12-22 Qihang Jin , Enze Ge , Yuhang Xie , Hongying Luo , Junhao Song , Ziqian Bi , Chia Xin Liang , Jibin Guan , Joe Yeong , Xinyuan Song , Junfeng Hao

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

Piezoelectric materials are widely used in all kinds of industries such as electric cigarette lighters, diesel engines and x-ray shutters. However, discovering high-performance and environmentally friendly (e.g. lead-free) piezoelectric…

Materials Science · Physics 2022-02-09 Jeffrey Hu , Yuqi Song

Capturing molecular knowledge with representation learning approaches holds significant potential in vast scientific fields such as chemistry and life science. An effective and generalizable molecular representation is expected to capture…

Machine Learning · Computer Science 2024-06-17 Yizhen Luo , Kai Yang , Massimo Hong , Xing Yi Liu , Zikun Nie , Hao Zhou , Zaiqing Nie

Conditional computation and modular networks have been recently proposed for multitask learning and other problems as a way to decompose problem solving into multiple reusable computational blocks. We propose a new approach for learning…

Machine Learning · Computer Science 2021-07-26 Andrey Zhmoginov , Dina Bashkirova , Mark Sandler

Since the surge of data in materials science research and the advancement in machine learning methods, an increasing number of researchers are introducing machine learning techniques into the next generation of materials discovery, ranging…

Soft Condensed Matter · Physics 2024-08-12 Maya M. Martirossyan , Hongjin Du , Julia Dshemuchadse , Chrisy Xiyu Du

This paper introduces a novel deep learning-based multimodal fusion architecture aimed at enhancing the perception capabilities of autonomous navigation robots in complex environments. By utilizing innovative feature extraction modules,…

Machine Learning · Computer Science 2025-04-29 Delun Lai , Yeyubei Zhang , Yunchong Liu , Chaojie Li , Huadong Mo

Multimodal models often experience a significant performance drop when one or more modalities are missing during inference. To address this challenge, we propose a simple yet effective approach that enhances robustness to missing modalities…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Md Kaykobad Reza , Ameya Patil , Mashhour Solh , M. Salman Asif

Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even toxic elements, which limits their widespread adoption. To…

Materials Science · Physics 2022-12-14 Luis M. Antunes , Keith T. Butler , Ricardo Grau-Crespo

The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including chemical reactions and phase transitions, are significantly…

Materials Science · Physics 2023-03-31 Chunyu Li , Juan Carlos Verduzco , Brian H. Lee , Robert J. Appleton , Alejandro Strachan

Multimodal networks have demonstrated remarkable performance improvements over their unimodal counterparts. Existing multimodal networks are designed in a multi-branch fashion that, due to the reliance on fusion strategies, exhibit…

Establishing the structure-property relationship in amorphous materials has been a long-term grand challenge due to the lack of a unified description of the degree of disorder. In this work, we develop SPRamNet, a neural network based…

Materials Science · Physics 2024-10-07 Mouyang Cheng , Chenyan Wang , Chenxin Qin , Yuxiang Zhang , Qingyuan Zhang , Han Li , Ji Chen

Predicting multiple real-world tasks in a single model often requires a particularly diverse feature space. Multimodal (MM) models aim to extract the synergistic predictive potential of multiple data types to create a shared feature space…

Machine Learning · Computer Science 2023-11-07 Vinitra Swamy , Malika Satayeva , Jibril Frej , Thierry Bossy , Thijs Vogels , Martin Jaggi , Tanja Käser , Mary-Anne Hartley

Recent advances in machine learning (ML) have expedited materials discovery and design. One significant challenge faced in ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their…

Machine Learning · Computer Science 2024-06-13 Hengrui Zhang , Jie Chen , James M. Rondinelli , Wei Chen

Visual scenes are composed of visual concepts and have the property of combinatorial explosion. An important reason for humans to efficiently learn from diverse visual scenes is the ability of compositional perception, and it is desirable…

Machine Learning · Computer Science 2023-06-16 Jinyang Yuan , Tonglin Chen , Bin Li , Xiangyang Xue

Extracting and binding salient information from different sensory modalities to determine common features in the environment is a significant challenge in robotics. Here we present MuPNet (Multi-modal Predictive Coding Network), a…

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers
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