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Learning low-dimensional embeddings of knowledge graphs is a powerful approach used to predict unobserved or missing edges between entities. However, an open challenge in this area is developing techniques that can go beyond simple edge…

Social and Information Networks · Computer Science 2019-10-30 William L. Hamilton , Payal Bajaj , Marinka Zitnik , Dan Jurafsky , Jure Leskovec

Human perception integrates multiple modalities, such as vision, hearing, and language, into a unified understanding of the surrounding reality. While recent multimodal models have achieved significant progress by aligning pairs of…

Computer Vision and Pattern Recognition · Computer Science 2025-02-13 Giordano Cicchetti , Eleonora Grassucci , Luigi Sigillo , Danilo Comminiello

The non-Euclidean geometry of hyperbolic spaces has recently garnered considerable attention in the realm of representation learning. Current endeavors in hyperbolic representation largely presuppose that the underlying hierarchies can be…

Machine Learning · Computer Science 2023-06-16 Menglin Yang , Min Zhou , Rex Ying , Yankai Chen , Irwin King

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

Understanding the intertwined contributions of amino acid sequence and spatial structure is essential to explain protein behaviour. Here, we introduce INFUSSE (Integrated Network Framework Unifying Structure and Sequence Embeddings), a deep…

Quantitative Methods · Quantitative Biology 2025-11-07 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

Biological sequence comparison is a key step in inferring the relatedness of various organisms and the functional similarity of their components. Thanks to the Next Generation Sequencing efforts, an abundance of sequence data is now…

Machine Learning · Computer Science 2016-09-13 Dhananjay Kimothi , Akshay Soni , Pravesh Biyani , James M. Hogan

Multimodal MRI offers complementary information for brain tumor segmentation, but clinical scans often lack one or more modalities, which degrades segmentation performance. In this paper, we propose UniME (Uni-Encoder Meets Multi-Encoders),…

Computer Vision and Pattern Recognition · Computer Science 2026-04-27 Peibo Song , Xiaotian Xue , Jinshuo Zhang , Zihao Wang , Jinhua Liu , Shujun Fu , Fangxun Bao , Si Yong Yeo

The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet…

Chemical Physics · Physics 2016-11-23 Bing Huang , O. Anatole von Lilienfeld

Motivation: Biomedical knowledge graphs (KGs) are crucial for drug discovery and disease understanding, yet their completion and reasoning are challenging. Knowledge Embedding (KE) methods capture global semantics but struggle with dynamic…

Artificial Intelligence · Computer Science 2025-07-23 Yitong Lin , Jiaying He , Jiahe Chen , Xinnan Zhu , Jianwei Zheng , Tao Bo

The limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number and extent (in size and time) of MD…

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Multimodal sentiment analysis (MSA) is a fundamental complex research problem due to the heterogeneity gap between different modalities and the ambiguity of human emotional expression. Although there have been many successful attempts to…

Machine Learning · Computer Science 2022-07-05 Jiahao Zheng , Sen Zhang , Xiaoping Wang , Zhigang Zeng

We present PREMISE (PREdict with Matching ScorEs), a new architecture for the matching-based learning in the multimodal fields for the multimodal review helpfulness (MRHP) task. Distinct to previous fusion-based methods which obtains…

Computation and Language · Computer Science 2025-05-05 Wei Han , Hui Chen , Soujanya Poria

Protein structure prediction often hinges on multiple sequence alignments (MSAs), which underperform on low-homology and orphan proteins. We introduce PLAME, a lightweight MSA design framework that leverages evolutionary embeddings from…

Machine Learning · Computer Science 2025-09-29 Hanqun Cao , Xinyi Zhou , Zijun Gao , Chenyu Wang , Xin Gao , Zhi Zhang , Cesar de la Fuente-Nunez , Chunbin Gu , Ge Liu , Pheng-Ann Heng

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Biomolecules · Quantitative Biology 2022-11-04 Yuancheng Sun , Yimeng Chen , Weizhi Ma , Wenhao Huang , Kang Liu , Zhiming Ma , Wei-Ying Ma , Yanyan Lan

Predictive Business Process Monitoring (PBPM) aims to forecast future outcomes of ongoing business processes. However, existing methods often lack flexibility to handle real-world challenges such as simultaneous events, class imbalance, and…

Machine Learning · Computer Science 2025-08-06 Fang Wang , Paolo Ceravolo , Ernesto Damiani

Machine learning is increasingly recognized as a promising technology in the biological, biomedical, and behavioral sciences. There can be no argument that this technique is incredibly successful in image recognition with immediate…

In typical multimodal contrastive learning, such as CLIP, encoders produce one point in the latent representation space for each input. However, one-point representation has difficulty in capturing the relationship and the similarity…

Machine Learning · Computer Science 2025-03-04 Toshimitsu Uesaka , Taiji Suzuki , Yuhta Takida , Chieh-Hsin Lai , Naoki Murata , Yuki Mitsufuji

Visual recognition tasks are often limited to dealing with a small subset of classes simply because the labels for the remaining classes are unavailable. We are interested in identifying novel concepts in a dataset through representation…

Computer Vision and Pattern Recognition · Computer Science 2023-03-17 Geeho Kim , Junoh Kang , Bohyung Han

Machine comprehension(MC) style question answering is a representative problem in natural language processing. Previous methods rarely spend time on the improvement of encoding layer, especially the embedding of syntactic information and…

Artificial Intelligence · Computer Science 2017-07-31 Boyuan Pan , Hao Li , Zhou Zhao , Bin Cao , Deng Cai , Xiaofei He
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