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When training data is scarce, the incorporation of additional prior knowledge can assist the learning process. While it is common to initialize neural networks with weights that have been pre-trained on other large data sets, pre-training…

Machine Learning · Computer Science 2022-05-24 Laura von Rueden , Sebastian Houben , Kostadin Cvejoski , Christian Bauckhage , Nico Piatkowski

Knowledge graphs represent real-world entities and their relations in a semantically-rich structure supported by ontologies. Exploring this data with machine learning methods often relies on knowledge graph embeddings, which produce latent…

Machine Learning · Computer Science 2023-06-23 Rita T. Sousa , Sara Silva , Catia Pesquita

Effective protein representation learning is crucial for predicting protein functions. Traditional methods often pretrain protein language models on large, unlabeled amino acid sequences, followed by finetuning on labeled data. While…

Biomolecules · Quantitative Biology 2024-09-05 Jiangbin Zheng , Stan Z. Li

The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in…

Quantitative Methods · Quantitative Biology 2024-07-09 Yiqing Shen , Zan Chen , Michail Mamalakis , Luhan He , Haiyang Xia , Tianbin Li , Yanzhou Su , Junjun He , Yu Guang Wang

Conventional Knowledge Graph Completion (KGC) assumes that all test entities appear during training. However, in real-world scenarios, Knowledge Graphs (KG) evolve fast with out-of-knowledge-graph (OOKG) entities added frequently, and we…

Computation and Language · Computer Science 2020-09-29 Damai Dai , Hua Zheng , Fuli Luo , Pengcheng Yang , Baobao Chang , Zhifang Sui

Exploring the functions of genes and gene products is crucial to a wide range of fields, including medical research, evolutionary biology, and environmental science. However, discovering new functions largely relies on expensive and…

Machine Learning · Computer Science 2025-01-06 Yuwei Miao , Yuzhi Guo , Hehuan Ma , Jingquan Yan , Feng Jiang , Rui Liao , Junzhou Huang

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

Most existing Knowledge Graph Question Answering (KGQA) approaches are designed for a specific KG, such as Wikidata, DBpedia or Freebase. Due to the heterogeneity of the underlying graph schema, topology and assertions, most KGQA systems…

Computation and Language · Computer Science 2025-02-07 Longquan Jiang , Junbo Huang , Cedric Möller , Ricardo Usbeck

Sequence generative models are transforming protein engineering. However, no principled framework exists for conditioning these models on auxiliary information, such as experimental data, without additional training of a generative model.…

Machine Learning · Computer Science 2026-01-19 Junhao Xiong , Ishan Gaur , Maria Lukarska , Hunter Nisonoff , Luke M. Oltrogge , David F. Savage , Jennifer Listgarten

Taking advantage of the widespread use of ontologies to organise and harmonize knowledge across several distinct domains, this paper proposes a novel approach to improve an embedding-Large Language Model (embedding-LLM) of interest by…

Computation and Language · Computer Science 2024-06-03 Francesco Ronzano , Jay Nanavati

In this paper, we present the ``joint pre-training and local re-training'' framework for learning and applying multi-source knowledge graph (KG) embeddings. We are motivated by the fact that different KGs contain complementary information…

Computation and Language · Computer Science 2023-06-06 Zequn Sun , Jiacheng Huang , Jinghao Lin , Xiaozhou Xu , Qijin Chen , Wei Hu

Educational, learning, and training materials have become extremely commonplace across the Internet. Yet, they frequently remain disconnected from each other, fall into platform silos, and so on. One way to overcome this is to provide a…

Computers and Society · Computer Science 2025-06-09 Antrea Christou , Chris Davis Jaldi , Joseph Zalewski , Hande Küçük McGinty , Pascal Hitzler , Cogan Shimizu

In recent years, knowledge graph embeddings have achieved great success. Many methods have been proposed and achieved state-of-the-art results in various tasks. However, most of the current methods present one or more of the following…

Machine Learning · Computer Science 2025-01-09 Yuhe Bai

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

The integration of spatial multi-omics data from single tissues is crucial for advancing biological research. However, a significant data imbalance impedes progress: while spatial transcriptomics data is relatively abundant, spatial…

Artificial Intelligence · Computer Science 2026-02-06 Zhaorui Jiang , Yingfang Yuan , Lei Hu , Wei Pang

Attention-based models trained on protein sequences have demonstrated incredible success at classification and generation tasks relevant for artificial intelligence-driven protein design. However, we lack a sufficient understanding of how…

Machine Learning · Computer Science 2022-06-29 Erik Nijkamp , Jeffrey Ruffolo , Eli N. Weinstein , Nikhil Naik , Ali Madani

Predicting missing facts in a knowledge graph (KG) is a crucial task in knowledge base construction and reasoning, and it has been the subject of much research in recent works using KG embeddings. While existing KG embedding approaches…

Computation and Language · Computer Science 2020-10-09 Xuelu Chen , Muhao Chen , Changjun Fan , Ankith Uppunda , Yizhou Sun , Carlo Zaniolo

Currently, the construction of large language models in specific domains is done by fine-tuning on a base model. Some models also incorporate knowledge bases without the need for pre-training. This is because the base model already contains…

Computation and Language · Computer Science 2023-08-22 Zhixiao Qi , Yijiong Yu , Meiqi Tu , Junyi Tan , Yongfeng Huang

Recently, graph neural networks (GNNs) have been shown powerful capacity at modeling structural data. However, when adapted to downstream tasks, it usually requires abundant task-specific labeled data, which can be extremely scarce in…

Machine Learning · Computer Science 2022-03-04 Yupeng Hou , Binbin Hu , Wayne Xin Zhao , Zhiqiang Zhang , Jun Zhou , Ji-Rong Wen

Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences,…

Machine Learning · Computer Science 2026-05-12 Yulin Zhang , He Cao , Zihao Jiang , Chenyi Zi , Zhipeng Zhou , Zijing Liu , Yu Li , Jia Li , Ziqi Gao
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