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Multimodal learning, especially large-scale multimodal pre-training, has developed rapidly over the past few years and led to the greatest advances in artificial intelligence (AI). Despite its effectiveness, understanding the underlying…

Neural and Evolutionary Computing · Computer Science 2022-08-18 Haoyu Lu , Qiongyi Zhou , Nanyi Fei , Zhiwu Lu , Mingyu Ding , Jingyuan Wen , Changde Du , Xin Zhao , Hao Sun , Huiguang He , Ji-Rong Wen

In-context learning allows large models to adapt to new tasks from a few demonstrations, but it has shown limited success in molecular design. Existing databases such as ChEMBL contain molecular properties spanning millions of biological…

Machine Learning · Computer Science 2025-10-13 Gang Liu , Jie Chen , Yihan Zhu , Michael Sun , Tengfei Luo , Nitesh V Chawla , Meng Jiang

This work studies the capabilities of a large language model (LLM) to understand paralinguistic aspects of speech without fine-tuning its weights. We utilize an end-to-end system with a speech encoder, which is trained to produce token…

Audio and Speech Processing · Electrical Eng. & Systems 2025-09-03 Wonjune Kang , Junteng Jia , Chunyang Wu , Wei Zhou , Egor Lakomkin , Yashesh Gaur , Leda Sari , Suyoun Kim , Ke Li , Jay Mahadeokar , Ozlem Kalinli

Electronic Health Records (EHRs) offer considerable potential for clinical prediction, but their complexity and heterogeneity challenge traditional machine learning. Domain-specific EHR foundation models trained on unlabeled EHR data have…

In-context learning (ICL) with large language models (LLMs) delivers strong few-shot performance by choosing few-shot demonstrations from the entire training data. However, existing ICL methods, which rely on similarity or diversity scores…

Computation and Language · Computer Science 2025-06-09 Jiarui Jin , Yuwei Wu , Haoxuan Li , Xiaoting He , Weinan Zhang , Yiming Yang , Yong Yu , Jun Wang , Mengyue Yang

Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models is the ability to accurately understand molecular structures,…

Machine Learning · Computer Science 2025-05-23 Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

Knowledge Distillation (KD) is a critical tool for training Large Language Models (LLMs), yet the majority of research focuses on approaches that rely solely on output logits, neglecting semantic information in the teacher's intermediate…

Computation and Language · Computer Science 2026-05-13 Maxime Guigon , Lucas Dixon , Michaël E. Sander

Pretrained language models like BERT and T5 serve as crucial backbone encoders for dense retrieval. However, these models often exhibit limited generalization capabilities and face challenges in improving in domain accuracy. Recent research…

Computation and Language · Computer Science 2024-08-26 Kun Luo , Minghao Qin , Zheng Liu , Shitao Xiao , Jun Zhao , Kang Liu

Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be…

Counting is one of the fundamental abilities of large language models (LLMs) and large vision-language models (LVLMs). This paper examines how these foundation models represent and compute numerical information in counting tasks. We use…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Hosein Hasani , Amirmohammad Izadi , Fatemeh Askari , Mobin Bagherian , Sadegh Mohammadian , Mohammad Izadi , Mahdieh Soleymani Baghshah

Multilingual LLMs demonstrate strong performance across diverse languages, yet there has been limited systematic analysis of how language information is structured within their internal representation space and how it emerges across layers.…

Computation and Language · Computer Science 2025-11-24 JaeSeong Kim , Suan Lee

Masked language modelling (MLM) as a pretraining objective has been widely adopted in genomic sequence modelling. While pretrained models can successfully serve as encoders for various downstream tasks, the distribution shift between…

Machine Learning · Computer Science 2025-02-26 Monireh Safari , Pablo Millan Arias , Scott C. Lowe , Lila Kari , Angel X. Chang , Graham W. Taylor

Next-token prediction serves as the dominant component in current neural language models. During the training phase, the model employs teacher forcing, which predicts tokens based on all preceding ground truth tokens. However, this approach…

Computation and Language · Computer Science 2024-10-28 Yongjing Yin , Junran Ding , Kai Song , Yue Zhang

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

Recent studies have shown that code language models at scale demonstrate significant performance gains on downstream tasks, i.e., code generation. However, most of the existing works on code representation learning train models at a hundred…

Computation and Language · Computer Science 2024-02-06 Dejiao Zhang , Wasi Ahmad , Ming Tan , Hantian Ding , Ramesh Nallapati , Dan Roth , Xiaofei Ma , Bing Xiang

Large language models (LLMs), renowned for their powerful conversational abilities, are widely recognized as exceptional tools in the field of education, particularly in the context of automated intelligent instruction systems for language…

Computation and Language · Computer Science 2024-07-19 Kaiqi Fu , Linkai Peng , Nan Yang , Shuran Zhou

We explore deep autoregressive Transformer models in language modeling for speech recognition. We focus on two aspects. First, we revisit Transformer model configurations specifically for language modeling. We show that well configured…

Computation and Language · Computer Science 2019-09-25 Kazuki Irie , Albert Zeyer , Ralf Schlüter , Hermann Ney

Pre-trained Large Language Models (LLMs) encapsulate large amounts of knowledge and take enormous amounts of compute to train. We make use of this resource, together with the observation that LLMs are able to transfer knowledge and…

Machine Learning · Computer Science 2025-01-14 Malcolm L. Wolff , Shenghao Yang , Kari Torkkola , Michael W. Mahoney

In the intersection of molecular science and deep learning, tasks like virtual screening have driven the need for a high-throughput molecular representation generator on large chemical databases. However, as SMILES strings are the most…

Computational Engineering, Finance, and Science · Computer Science 2021-12-28 Wenhao Zhu , Ziyao Li , Lingsheng Cai , Guojie Song

We present an approach for assessing how multilingual large language models (LLMs) learn syntax in terms of multi-formalism syntactic structures. We aim to recover constituent and dependency structures by casting parsing as sequence…

Computation and Language · Computer Science 2023-09-21 Alberto Muñoz-Ortiz , David Vilares , Carlos Gómez-Rodríguez
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