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Comparative reasoning plays a crucial role in text preference prediction; however, large language models (LLMs) often demonstrate inconsistencies in their reasoning. While approaches like Chain-of-Thought improve accuracy in many other…

Supervised fine-tuning (SFT) is a critical step in aligning large language models (LLMs) with human instructions and values, yet many aspects of SFT remain poorly understood. We trained a wide range of base models on a variety of datasets…

Computation and Language · Computer Science 2025-10-31 Yuto Harada , Yusuke Yamauchi , Yusuke Oda , Yohei Oseki , Yusuke Miyao , Yu Takagi

With the emergence of Transformer architectures and their powerful understanding of textual data, a new horizon has opened up to predict the molecular properties based on text description. While SMILES are the most common form of…

Chemical Physics · Physics 2023-10-11 Suryanarayanan Balaji , Rishikesh Magar , Yayati Jadhav , Amir Barati Farimani

Existing alignment methods for preference optimization of large language models (LLMs) aim to enhance model performance by utilizing pairs of positive and negative samples. However, due to the limited capacity of models in scoring or…

Computation and Language · Computer Science 2025-09-30 Jun Rao , Yunjie Liao , Xuebo Liu , Zepeng Lin , Lian Lian , Dong Jin , Shengjun Cheng , Jun Yu , Min Zhang

Prompt optimization aims to search for effective prompts that enhance the performance of large language models (LLMs). Although existing prompt optimization methods have discovered effective prompts, they often differ from sophisticated…

Artificial Intelligence · Computer Science 2025-07-14 Rin Ashizawa , Yoichi Hirose , Nozomu Yoshinari , Kento Uchida , Shinichi Shirakawa

As large language models (LLMs) see greater use in academic and commercial settings, there is increasing interest in methods that allow language models to generate texts aligned with human preferences. In this paper, we present an initial…

Machine Learning · Computer Science 2024-06-07 Victoria Lin , Eli Ben-Michael , Louis-Philippe Morency

Moderate-sized large language models (LLMs) -- those with 7B or 13B parameters -- exhibit promising machine translation (MT) performance. However, even the top-performing 13B LLM-based translation models, like ALMA, does not match the…

Computation and Language · Computer Science 2024-06-04 Haoran Xu , Amr Sharaf , Yunmo Chen , Weiting Tan , Lingfeng Shen , Benjamin Van Durme , Kenton Murray , Young Jin Kim

Significantly simplifying the creation of optimization models for real-world business problems has long been a major goal in applying mathematical optimization more widely to important business and societal decisions. The recent…

Artificial Intelligence · Computer Science 2024-02-27 Segev Wasserkrug , Leonard Boussioux , Dick den Hertog , Farzaneh Mirzazadeh , Ilker Birbil , Jannis Kurtz , Donato Maragno

In the field of chemistry, there have been many attempts to predict the properties of unknown compounds from statistical models constructed using machine learning. In an area where many known compounds are present (the interpolation area),…

Machine Learning · Computer Science 2020-09-22 Kohei Numata , Kenichi Tanaka

Background Large Language Models (LLMs), enhanced with Clinical Practice Guidelines (CPGs), can significantly improve Clinical Decision Support (CDS). However, methods for incorporating CPGs into LLMs are not well studied. Methods We…

Computation and Language · Computer Science 2024-01-25 David Oniani , Xizhi Wu , Shyam Visweswaran , Sumit Kapoor , Shravan Kooragayalu , Katelyn Polanska , Yanshan Wang

Large language models (LLMs) have demonstrated remarkable performance across a wide range of tasks. Advances in prompt engineering and fine-tuning techniques have further enhanced their ability to address complex reasoning challenges.…

Computation and Language · Computer Science 2024-12-16 Jing Bi , Yuting Wu , Weiwei Xing , Zhenjie Wei

Large language models (LLMs) with enormous pre-training tokens and parameters emerge diverse abilities, including math reasoning, code generation, and instruction following. These abilities are further enhanced by supervised fine-tuning…

Computation and Language · Computer Science 2024-06-10 Guanting Dong , Hongyi Yuan , Keming Lu , Chengpeng Li , Mingfeng Xue , Dayiheng Liu , Wei Wang , Zheng Yuan , Chang Zhou , Jingren Zhou

Preference learning is critical for aligning large language models (LLMs) with human values, with the quality of preference datasets playing a crucial role in this process. While existing metrics primarily assess data quality based on…

Machine Learning · Computer Science 2025-03-05 Kexin Huang , Junkang Wu , Ziqian Chen , Xue Wang , Jinyang Gao , Bolin Ding , Jiancan Wu , Xiangnan He , Xiang Wang

Fine-tuning pre-trained language models (PLMs), e.g., SciBERT, generally requires large numbers of annotated data to achieve state-of-the-art performance on a range of NLP tasks in the scientific domain. However, obtaining the fine-tune…

Computation and Language · Computer Science 2025-12-30 Jiawei Liu , Zi Xiong , Yi Jiang , Yongqiang Ma , Wei Lu , Yong Huang , Qikai Cheng

Designing visually diverse and high-quality designs remains a manual, time-consuming process, limiting scalability and personalization in creative workflows. We present a system for generating editable design variations using a decoder-only…

Machine Learning · Computer Science 2026-04-07 Karthik Suresh , Amine Ben Khalifa , Li Zhang , Wei-ting Hsu , Fangzheng Wu , Vinay More , Asim Kadav

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Machine Learning · Computer Science 2025-12-09 Nian Ran , Yue Wang , Xiaoyuan Zhang , Zhongzheng Li , Qingsong Ran , Wenhao Li , Richard Allmendinger

Recent advancements in text-to-speech (TTS) have shown that language model (LM)-based systems offer competitive performance to their counterparts. Further optimization can be achieved through preference alignment algorithms, which adjust…

Computation and Language · Computer Science 2024-09-20 Jinchuan Tian , Chunlei Zhang , Jiatong Shi , Hao Zhang , Jianwei Yu , Shinji Watanabe , Dong Yu

Speculative decoding speeds up autoregressive generation in Large Language Models (LLMs) through a two-step procedure, where a lightweight draft model proposes tokens which the target model then verifies in a single forward pass. Although…

Machine Learning · Computer Science 2026-05-12 Anton Plaksin , Sergei Krutikov , Sergei Skvortsov , Alexander Samarin

Large language models (LLMs) have garnered significant attention for their remarkable capabilities across various domains, whose vast parameter scales present challenges for practical deployment. Structured pruning is an effective method to…

Artificial Intelligence · Computer Science 2024-12-25 Gui Ling , Ziyang Wang , Yuliang Yan , Qingwen Liu

Prompt-based fine-tuning has boosted the performance of Pre-trained Language Models (PLMs) on few-shot text classification by employing task-specific prompts. Yet, PLMs are unfamiliar with prompt-style expressions during pre-training, which…

Computation and Language · Computer Science 2022-05-12 Jianing Wang , Chengyu Wang , Fuli Luo , Chuanqi Tan , Minghui Qiu , Fei Yang , Qiuhui Shi , Songfang Huang , Ming Gao