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Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Understanding the internal representations of large language models (LLMs) can help explain models' behavior and verify their alignment with human values. Given the capabilities of LLMs in generating human-understandable text, we propose…

Computation and Language · Computer Science 2024-06-10 Asma Ghandeharioun , Avi Caciularu , Adam Pearce , Lucas Dixon , Mor Geva

Typical deep clustering methods, while achieving notable progress, can only provide one clustering result per dataset. This limitation arises from their assumption of a fixed underlying data distribution, which may fail to meet user needs…

Machine Learning · Computer Science 2025-12-02 Xinyue Wang , Yuheng Jia , Hui Liu , Junhui Hou

The question of what kinds of linguistic information are encoded in different layers of Transformer-based language models is of considerable interest for the NLP community. Existing work, however, has overwhelmingly focused on word-level…

Computation and Language · Computer Science 2023-10-19 Dmitry Nikolaev , Sebastian Padó

State-space models (SSMs) offer a powerful framework for dynamical system analysis, wherein the temporal dynamics of the system are assumed to be captured through the evolution of the latent states, which govern the values of the…

Machine Learning · Statistics 2024-12-17 Jiahe Lin , George Michailidis

Multimodal Large Language Models (MLLMs) have demonstrated strong performance across a wide range of vision-language tasks, yet their internal processing dynamics remain underexplored. In this work, we introduce a probing framework to…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Zhuoran Yu , Yong Jae Lee

This paper explores the spatial reasoning capability of large language models (LLMs) over textual input through a suite of five tasks aimed at probing their spatial understanding and computational abilities. The models were tested on both…

Computation and Language · Computer Science 2025-10-24 Maggie Bai , Ava Kim Cohen , Eleanor Koss , Charlie Lichtenbaum

Despite significant progress in natural language understanding, Large Language Models (LLMs) remain error-prone when performing logical reasoning, often lacking the robust mental representations that enable human-like comprehension. We…

Artificial Intelligence · Computer Science 2025-09-05 François Olivier , Zied Bouraoui

This paper introduces Multimodal Speculative Decoding (MSD) to accelerate Multimodal Large Language Models (MLLMs) inference. Speculative decoding has been shown to accelerate Large Language Models (LLMs) without sacrificing accuracy.…

Computer Vision and Pattern Recognition · Computer Science 2025-05-21 Luxi Lin , Zhihang Lin , Zhanpeng Zeng , Rongrong Ji

Contextual embeddings represent a new generation of semantic representations learned from Neural Language Modelling (NLM) that addresses the issue of meaning conflation hampering traditional word embeddings. In this work, we show that…

Computation and Language · Computer Science 2019-06-25 Daniel Loureiro , Alipio Jorge

Classical multidimensional scaling (MDS) is a method for visualizing high-dimensional point clouds by mapping to low-dimensional Euclidean space. This mapping is defined in terms of eigenfunctions of a matrix of interpoint dissimilarities.…

Applications · Statistics 2008-11-11 Persi Diaconis , Sharad Goel , Susan Holmes

We propose an unsupervised method to obtain cross-lingual embeddings without any parallel data or pre-trained word embeddings. The proposed model, which we call multilingual neural language models, takes sentences of multiple languages as…

Computation and Language · Computer Science 2018-09-10 Takashi Wada , Tomoharu Iwata

Most Machine Learning (ML) methods, from clustering to classification, rely on a distance function to describe relationships between datapoints. For complex datasets it is hard to avoid making some arbitrary choices when defining a distance…

Machine Learning · Statistics 2016-07-04 Gina Gruenhage , Manfred Opper , Simon Barthelme

Generalizing an object detector trained on a single domain to multiple unseen domains is a challenging task. Existing methods typically introduce image or feature augmentation to diversify the source domain to raise the robustness of the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-13 Hongda Qin , Xiao Lu , Zhiyong Wei , Yihong Cao , Kailun Yang , Ningjiang Chen

Neural language models (LMs) have been shown to capture complex linguistic patterns, yet their utility in understanding human language and more broadly, human cognition, remains debated. While existing work in this area often evaluates…

Computation and Language · Computer Science 2026-04-10 Kanishka Misra , Najoung Kim

Supervised models for Word Sense Disambiguation (WSD) currently yield to state-of-the-art results in the most popular benchmarks. Despite the recent introduction of Word Embeddings and Recurrent Neural Networks to design powerful…

Computation and Language · Computer Science 2024-02-22 Stefano Melacci , Achille Globo , Leonardo Rigutini

We explore the application of large language models (LLMs) to empower domain experts in integrating large, heterogeneous, and noisy urban spatial datasets. Traditional rule-based integration methods are unable to cover all edge cases,…

Artificial Intelligence · Computer Science 2025-08-08 Bin Han , Robert Wolfe , Anat Caspi , Bill Howe

Large Language Models (LLMs) have demonstrated unprecedented capabilities across various natural language processing tasks. Their ability to process and generate viable text and code has made them ubiquitous in many fields, while their…

Machine Learning · Computer Science 2025-05-13 Stef De Sabbata , Stefano Mizzaro , Kevin Roitero

Large language models (LLMs) were invented for natural language tasks such as translation, but they have proved that they can perform highly complex functions across domains. Additionally, they have been thought to develop new skills…

Computation and Language · Computer Science 2026-05-12 Jung H. Lee , Sujith Vijayan

Reasoning segmentation aims to segment target objects in complex scenes based on human intent and spatial reasoning. While recent multimodal large language models (MLLMs) have demonstrated impressive 2D image reasoning segmentation,…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Jiaxin Huang , Runnan Chen , Ziwen Li , Zhengqing Gao , Xiao He , Yandong Guo , Mingming Gong , Tongliang Liu
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