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Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data,…

Machine Learning · Computer Science 2025-09-25 Zohair Shafi , Serdar Kadioglu

Standard representational similarity methods align each layer of a network to its best match in another independently, producing asymmetric results, lacking a global alignment score, and struggling with networks of different depths. These…

Machine Learning · Computer Science 2026-04-23 Shaan Shah , Meenakshi Khosla

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Challenging combinatorial optimization problems are ubiquitous in science and engineering. Several quantum methods for optimization have recently been developed, in different settings including both exact and approximate solvers. Addressing…

Quantum Physics · Physics 2023-09-20 Nicolas PD Sawaya , Albert T Schmitz , Stuart Hadfield

Unifying multimodal understanding, generation and reconstruction representation in a single tokenizer remains a key challenge in building unified models. Previous research predominantly attempts to address this in a dual encoder paradigm,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-01 Sinan Du , Jiahao Guo , Bo Li , Shuhao Cui , Zhengzhuo Xu , Yifu Luo , Yongxian Wei , Kun Gai , Xinggang Wang , Kai Wu , Chun Yuan

Knowledge graph (KG) alignment - the task of recognizing entities referring to the same thing in different KGs - is recognized as one of the most important operations in the field of KG construction and completion. However, existing…

Computation and Language · Computer Science 2022-03-16 Vinh Van Tong , Thanh Trung Huynh , Thanh Tam Nguyen , Hongzhi Yin , Quoc Viet Hung Nguyen , Quyet Thang Huynh

Tokenization is a fundamental component of language models for code. It involves breaking down the input into units that are later passed to the language model stack to learn high-dimensional representations used in various contexts, from…

Software Engineering · Computer Science 2025-07-22 Mootez Saad , Hao Li , Tushar Sharma , Ahmed E. Hassan

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised…

Machine Learning · Computer Science 2024-06-17 Yuhao Xu , Xinqi Liu , Keyu Duan , Yi Fang , Yu-Neng Chuang , Daochen Zha , Qiaoyu Tan

Leveraging Large Language Models (LLMs) for Knowledge Graph Completion (KGC) is promising but hindered by a fundamental granularity mismatch. LLMs operate on fragmented token sequences, whereas entities are the fundamental units in…

Computation and Language · Computer Science 2026-02-27 Siyue Su , Jian Yang , Bo Li , Guanglin Niu

Graph Foundation Models (GFMs) have achieved remarkable success in generalizing across diverse domains. However, they mainly focus on Text-Attributed Graphs (TAGs), leaving Multimodal-Attributed Graphs (MAGs) largely untapped. Developing…

Machine Learning · Computer Science 2026-02-05 Sicheng Liu , Xunkai Li , Daohan Su , Ru Zhang , Hongchao Qin , Ronghua Li , Guoren Wang

Logical query answering over Knowledge Graphs (KGs) is a fundamental yet complex task. A promising approach to achieve this is to embed queries and entities jointly into the same embedding space. Research along this line suggests that using…

Information Retrieval · Computer Science 2024-03-29 Yuhan Wu , Yuanyuan Xu , Wenjie Zhang , Xiwei Xu , Ying Zhang

Content-invariance in mapping codes learned by GAEs is a useful feature for various relation learning tasks. In this paper we show that the content-invariance of mapping codes for images of 2D and 3D rotated objects can be substantially…

Computer Vision and Pattern Recognition · Computer Science 2017-07-06 Stefan Lattner , Maarten Grachten

Vector quantization is a technique in machine learning that discretizes continuous representations into a set of discrete vectors. It is widely employed in tokenizing data representations for large language models, diffusion models, and…

Machine Learning · Computer Science 2026-03-19 Wenhao Zhao , Qiran Zou , Rushi Shah , Yudi Wu , Zhouhan Lin , Dianbo Liu

The emergence of graph foundation models (GFMs), particularly those incorporating language models (LMs), has revolutionized graph learning and demonstrated remarkable performance on text-attributed graphs (TAGs). However, compared to…

Cryptography and Security · Computer Science 2025-10-17 Xiaoyu Xue , Yuni Lai , Chenxi Huang , Yulin Zhu , Gaolei Li , Xiaoge Zhang , Kai Zhou

Generalization to novel compound tasks under distribution shift is important for deploying transformer-based language models (LMs). This work investigates Chain-of-Thought (CoT) reasoning as a means to enhance OOD generalization. Through…

Computation and Language · Computer Science 2026-03-31 Ru Wang , Wei Huang , Selena Song , Haoyu Zhang , Qian Niu , Yusuke Iwasawa , Yutaka Matsuo , Jiaxian Guo

While locate-then-edit knowledge editing efficiently updates knowledge encoded within Large Language Models (LLMs), a critical generalization failure mode emerges in the practical same-subject knowledge editing scenario: models fail to…

Computation and Language · Computer Science 2026-03-17 Xiyu Liu , Qingyi Si , Zhengxiao Liu , Chenxu Yang , Naibin Gu , Zheng Lin

Graph Chain-of-Thought (Graph-CoT) enables large language models (LLMs) to perform step-by-step reasoning over graph-structured knowledge, but existing pipelines suffer from low accuracy, excessive token usage, high latency, and low…

The pretrain-transfer paradigm, which underpins the success of large language models (LLMs), has demonstrated the immense power of creating foundation models that learn generalizable representations from vast datasets. However, extending…

Machine Learning · Computer Science 2025-09-30 Yunhao Liang , Pujun Zhang , Yuan Qu , Shaochong Lin , Zuo-jun Max Shen

Traditional Machine Learning (ML) methods require large amounts of data to perform well, limiting their applicability in sparse or incomplete scenarios and forcing the usage of additional synthetic data to improve the model training. To…

Machine Learning · Computer Science 2025-11-18 Rosario Napoli , Giovanni Lonia , Antonio Celesti , Massimo Villari , Maria Fazio

Large language models (LLMs) for code rely on subword tokenizers, such as byte-pair encoding (BPE), learned from mixed natural language text and programming language code but driven by statistics rather than grammar. As a result,…

Computation and Language · Computer Science 2025-10-17 Yinxi Li , Yuntian Deng , Pengyu Nie