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Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

Long-sequence causal reasoning seeks to uncover causal relationships within extended time series data but is hindered by complex dependencies and the challenges of validating causal links. To address the limitations of large-scale language…

Computation and Language · Computer Science 2025-01-03 Yuxuan Zhang , Yulong Li , Zichen Yu , Feilong Tang , Zhixiang Lu , Chong Li , Kang Dang , Jionglong Su

As large language models (LLMs) witness increasing deployment in complex, high-stakes decision-making scenarios, it becomes imperative to ground their reasoning in causality rather than spurious correlations. However, strong performance on…

Artificial Intelligence · Computer Science 2026-02-24 Yuzhe Wang , Yaochen Zhu , Jundong Li

Multimodal large language models (MLLMs) have shown satisfactory effects in many autonomous driving tasks. In this paper, MLLMs are utilized to solve joint semantic scene understanding and risk localization tasks, while only relying on…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Jiaqi Fan , Jianhua Wu , Jincheng Gao , Jianhao Yu , Yafei Wang , Hongqing Chu , Bingzhao Gao

Multimodal Entity Linking (MEL) is the task of mapping mentions with multimodal contexts to the referent entities from a knowledge base. Existing MEL methods mainly focus on designing complex multimodal interaction mechanisms and require…

Computation and Language · Computer Science 2024-03-21 Senbao Shi , Zhenran Xu , Baotian Hu , Min Zhang

In-context learning (ICL), teaching a large language model (LLM) to perform a task with few-shot demonstrations rather than adjusting the model parameters, has emerged as a strong paradigm for using LLMs. While early studies primarily used…

Computation and Language · Computer Science 2023-05-24 Man Luo , Xin Xu , Zhuyun Dai , Panupong Pasupat , Mehran Kazemi , Chitta Baral , Vaiva Imbrasaite , Vincent Y Zhao

Large Language Models (LLMs) have recently shown remarkable advancement in various NLP tasks. As such, a popular trend has emerged lately where NLP researchers extract word/sentence/document embeddings from these large decoder-only models…

Computation and Language · Computer Science 2025-03-04 Yash Mahajan , Matthew Freestone , Sathyanarayanan Aakur , Santu Karmaker

Large Language Models (LLMs) have recently shown remarkable advancement in various NLP tasks. As such, a popular trend has emerged lately where NLP researchers extract word/sentence/document embeddings from these large decoder-only models…

Computation and Language · Computer Science 2025-03-04 Yash Mahajan , Matthew Freestone , Naman Bansal , Sathyanarayanan Aakur , Shubhra Kanti Karmaker Santu

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

Semantic query processing engines often support semantic joins, enabling users to match rows that satisfy conditions specified in natural language. Such join conditions can be evaluated using large language models (LLMs) that solve novel…

Databases · Computer Science 2025-10-10 Immanuel Trummer

Autoregressive models (ARMs), which predict subsequent tokens one-by-one ``from left to right,'' have achieved significant success across a wide range of sequence generation tasks. However, they struggle to accurately represent sequences…

Computation and Language · Computer Science 2025-09-04 Dhruvesh Patel , Aishwarya Sahoo , Avinash Amballa , Tahira Naseem , Tim G. J. Rudner , Andrew McCallum

Despite the notable advancements of existing prompting methods, such as In-Context Learning and Chain-of-Thought for Large Language Models (LLMs), they still face challenges related to various biases. Traditional debiasing methods primarily…

Computation and Language · Computer Science 2024-12-18 Congzhi Zhang , Linhai Zhang , Jialong Wu , Yulan He , Deyu Zhou

Large Language Models (LLMs), despite their advanced linguistic capabilities, fundamentally lack an intuitive understanding of physical dynamics, which limits their effectiveness in real-world scenarios that require causal reasoning. In…

Machine Learning · Computer Science 2025-12-29 Aditya Sharma , Ananya Gupta , Chengyu Wang , Chiamaka Adebayo , Jakub Kowalski

Video captioning is a critical task in the field of multimodal machine learning, aiming to generate descriptive and coherent textual narratives for video content. While large vision-language models (LVLMs) have shown significant progress,…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Ji-jun Park , Soo-joon Choi

With widening deployments of natural language processing (NLP) in daily life, inherited social biases from NLP models have become more severe and problematic. Previous studies have shown that word embeddings trained on human-generated…

Computation and Language · Computer Science 2021-12-13 Lei Ding , Dengdeng Yu , Jinhan Xie , Wenxing Guo , Shenggang Hu , Meichen Liu , Linglong Kong , Hongsheng Dai , Yanchun Bao , Bei Jiang

Lexical semantics is concerned with both the multiple senses a word can adopt in different contexts, and the semantic relations that exist between meanings of different words. To investigate them, Contextualized Language Models are a…

Computation and Language · Computer Science 2026-01-26 Bastien Liétard , Gabriel Loiseau

Large Language Models (LLMs) are advanced deep-learning models designed to understand and generate human language. They work together with models that process data like images, enabling cross-modal understanding. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2025-02-25 Shreya Singh

Language model (LM) pre-training is useful in many language processing tasks. But can pre-trained LMs be further leveraged for more general machine learning problems? We propose an approach for using LMs to scaffold learning and…

Multimodal representation learning has been largely driven by contrastive models such as CLIP, which learn a shared embedding space by aligning paired image-text samples. While effective for general-purpose representation learning, such…

Machine Learning · Computer Science 2026-05-12 Yang Qiao , Yuntong Hu , Bowen Zhu , Hasibul Haque , Liang Zhao

Transformer-based large language models (LLMs) rely on contextual embeddings which generate different (continuous) representations for the same token depending on its surrounding context. Nonetheless, words and tokens typically have a…

Computation and Language · Computer Science 2025-07-10 Qitong Wang , Mohammed J. Zaki , Georgios Kollias , Vasileios Kalantzis
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