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Related papers: ALMol: Aligned Language-Molecule Translation LLMs …

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Alignment plays a crucial role in Large Language Models (LLMs) in aligning with human preferences on a specific task/domain. Traditional alignment methods suffer from catastrophic forgetting, where models lose previously acquired knowledge…

Computation and Language · Computer Science 2026-04-09 Junsong Li , Jie Zhou , Bihao Zhan , Yutao Yang , Qianjun Pan , Shilian Chen , Tianyu Huai , Xin Li , Qin Chen , Liang He

Diffusion Large Language Models (DLLMs) have emerged as a powerful alternative to autoregressive models, enabling parallel token generation across multiple positions. However, preference alignment of DLLMs remains challenging due to high…

Computation and Language · Computer Science 2026-02-04 Liang Lin , Feng Xiong , Zengbin Wang , Kun Wang , Junhao Dong , Xuecai Hu , Yong Wang , Xiangxiang Chu

Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually-crafted…

Machine Learning · Computer Science 2024-11-05 Chris Lu , Samuel Holt , Claudio Fanconi , Alex J. Chan , Jakob Foerster , Mihaela van der Schaar , Robert Tjarko Lange

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered as a promising approach to address some of the challenging…

Large Language Models (LLMs) recently achieved great success in medical text summarization by simply using in-context learning. However, these recent efforts do not perform fine-grained evaluations under difficult settings where LLMs might…

Computation and Language · Computer Science 2026-04-22 Gunjan Balde , Soumyadeep Roy , Mainack Mondal , Niloy Ganguly

Large Language Models (LLMs) have garnered significant attention due to their remarkable ability to process information across various languages. Despite their capabilities, they exhibit inconsistencies in handling identical queries in…

Computation and Language · Computer Science 2024-06-24 Yue Huang , Chenrui Fan , Yuan Li , Siyuan Wu , Tianyi Zhou , Xiangliang Zhang , Lichao Sun

This systematic literature review comprehensively examines the application of Large Language Models (LLMs) in forecasting and anomaly detection, highlighting the current state of research, inherent challenges, and prospective future…

Machine Learning · Computer Science 2024-02-19 Jing Su , Chufeng Jiang , Xin Jin , Yuxin Qiao , Tingsong Xiao , Hongda Ma , Rong Wei , Zhi Jing , Jiajun Xu , Junhong Lin

Large Language Models (LLMs) are powerful linguistic engines but remain susceptible to hallucinations: plausible-sounding outputs that are factually incorrect or unsupported. In this work, we present a mathematically grounded framework to…

Computation and Language · Computer Science 2025-11-20 Moses Kiprono

Multimodal Large Language Models (MLLMs) have achieved remarkable progress in vision-language understanding, yet how they internally integrate visual and textual information remains poorly understood. To bridge this gap, we perform a…

Computer Vision and Pattern Recognition · Computer Science 2026-01-14 Shezheng Song , Shasha Li , Jie Yu

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…

Machine Learning · Computer Science 2024-08-28 Sakhinana Sagar Srinivas , Venkataramana Runkana

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Machine Learning · Computer Science 2022-09-14 Bing Su , Dazhao Du , Zhao Yang , Yujie Zhou , Jiangmeng Li , Anyi Rao , Hao Sun , Zhiwu Lu , Ji-Rong Wen

Pre-trained language models (PLMs) have made significant advances in natural language inference (NLI) tasks, however their sensitivity to textual perturbations and dependence on large datasets indicate an over-reliance on shallow…

Machine Learning · Computer Science 2025-02-14 Mingyue Liu , Ryo Ueda , Zhen Wan , Katsumi Inoue , Chris G. Willcocks

Contrastive decoding strategies are widely used to mitigate object hallucinations in multimodal large language models (MLLMs). By reducing over-reliance on language priors, these strategies ensure that generated content remains closely…

Computer Vision and Pattern Recognition · Computer Science 2025-05-28 Hao Yin , Guangzong Si , Zilei Wang

Quantization has emerged as a promising technique for improving the memory and computational efficiency of large language models (LLMs). Though the trade-off between performance and efficiency is well-known, there is still much to be…

Machine Learning · Computer Science 2024-03-12 Zhuocheng Gong , Jiahao Liu , Jingang Wang , Xunliang Cai , Dongyan Zhao , Rui Yan

With the rapid development of artificial intelligence, large language models (LLMs) have shown promising capabilities in mimicking human-level language comprehension and reasoning. This has sparked significant interest in applying LLMs to…

Computation and Language · Computer Science 2023-11-06 Mingze Yuan , Peng Bao , Jiajia Yuan , Yunhao Shen , Zifan Chen , Yi Xie , Jie Zhao , Yang Chen , Li Zhang , Lin Shen , Bin Dong

The next token prediction loss is the dominant self-supervised training objective for large language models and has achieved promising results in a variety of downstream tasks. However, upon closer investigation of this objective, we find…

Computation and Language · Computer Science 2025-02-25 Zhili Feng , Dhananjay Ram , Cole Hawkins , Aditya Rawal , Jinman Zhao , Sheng Zha

The training paradigm for machine translation has gradually shifted, from learning neural machine translation (NMT) models with extensive parallel corpora to instruction finetuning on multilingual large language models (LLMs) with…

Computation and Language · Computer Science 2024-02-08 Pengzhi Gao , Zhongjun He , Hua Wu , Haifeng Wang

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…