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This study introduces a systematic framework to compare the efficacy of Large Language Models (LLMs) for fine-tuning across various cheminformatics tasks. Employing a uniform training methodology, we assessed three well-known…

Machine Learning · Computer Science 2024-05-03 Lee Youngmin , Lang S. I. D. Andrew , Cai Duoduo , Wheat R. Stephen

Large language models (LLMs) are increasingly being used as decision aids. However, users have diverse values and preferences that can affect their decision-making, which requires novel methods for LLM alignment and personalization.…

Computation and Language · Computer Science 2025-07-15 Bharadwaj Ravichandran , David Joy , Paul Elliott , Brian Hu , Jadie Adams , Christopher Funk , Emily Veenhuis , Anthony Hoogs , Arslan Basharat

We examined how model size, temperature, and prompt style affect Large Language Models' (LLMs) alignment within itself, between models, and with human in assessing clinical reasoning skills. Model size emerged as a key factor in LLM-human…

Computation and Language · Computer Science 2025-09-25 Julie Jung , Max Lu , Sina Chole Benker , Dogus Darici

Model merging, which combines multiple domain-specialized experts into a single model, offers a practical path to endow Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) with broad capabilities without the cost of…

Machine Learning · Computer Science 2025-10-01 Dengming Zhang , Xiaowen Ma , Zhenliang Ni , Zhenkai Wu , Han Shu , Xin Jiang , Xinghao Chen

Aligned LLMs are secure, capable of recognizing and refusing to answer malicious questions. However, the role of internal parameters in maintaining such security is not well understood yet, further these models can be vulnerable to security…

Cryptography and Security · Computer Science 2025-04-08 Shen Li , Liuyi Yao , Lan Zhang , Yaliang Li

Large language model (LLM) architectures are often described as functionally hierarchical: Early layers process syntax, middle layers begin to parse semantics, and late layers integrate information. The present work revisits these ideas.…

Computation and Language · Computer Science 2025-01-14 Paul C. Bogdan

Multimodal Large Language Model (MLLM) have demonstrated strong generalization capabilities across diverse distributions and tasks, largely due to extensive pre-training datasets. Fine-tuning MLLM has become a common practice to improve…

Computation and Language · Computer Science 2024-11-19 Wenke Huang , Jian Liang , Zekun Shi , Didi Zhu , Guancheng Wan , He Li , Bo Du , Dacheng Tao , Mang Ye

Large language models (LLMs) are increasingly employed in information-seeking and decision-making tasks. Despite their broad utility, LLMs tend to generate information that conflicts with real-world facts, and their persuasive style can…

Computation and Language · Computer Science 2024-09-19 Arslan Chaudhry , Sridhar Thiagarajan , Dilan Gorur

This paper investigates supervised fine-tuning of large language models (LLMs) to improve their pedagogical alignment in computing education, addressing concerns that LLMs may hinder learning outcomes. The project utilised a proprietary…

Computation and Language · Computer Science 2024-11-05 Alexandra Vassar , Jake Renzella , Emily Ross , Andrew Taylor

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

Applied Physics · Physics 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

This paper presents an in-depth analysis of Large Language Models (LLMs), focusing on LLaMA, a prominent open-source foundational model in natural language processing. Instead of assessing LLaMA through its generative output, we design…

Computation and Language · Computer Science 2024-01-10 Nuo Chen , Ning Wu , Shining Liang , Ming Gong , Linjun Shou , Dongmei Zhang , Jia Li

Existing alignment techniques for Large Language Models (LLMs), such as Direct Preference Optimization (DPO), typically treat the model as a monolithic entity, applying uniform optimization pressure across all layers. This approach…

Computation and Language · Computer Science 2025-10-15 Yukun Zhang , Qi Dong

Finetuning on narrow domains has become an essential tool to adapt Large Language Models (LLMs) to specific tasks and to create models with known unusual properties that are useful for research. We show that narrow finetuning creates strong…

Computation and Language · Computer Science 2026-03-06 Julian Minder , Clément Dumas , Stewart Slocum , Helena Casademunt , Cameron Holmes , Robert West , Neel Nanda

Reward design plays a pivotal role in aligning large language models (LLMs) with human values, serving as the bridge between feedback signals and model optimization. This survey provides a structured organization of reward modeling and…

Computation and Language · Computer Science 2025-09-03 Miaomiao Ji , Yanqiu Wu , Zhibin Wu , Shoujin Wang , Jian Yang , Mark Dras , Usman Naseem

Large Language Models (LLMs) are now state-of-the-art at summarization, yet the internal notion of importance that drives their information selections remains hidden. We propose to investigate this by combining behavioral and computational…

Computation and Language · Computer Science 2026-02-03 Yongxin Zhou , Changshun Wu , Philippe Mulhem , Didier Schwab , Maxime Peyrard

Merging Large Language Models (LLMs) is a cost-effective technique for combining multiple expert LLMs into a single versatile model, retaining the expertise of the original ones. However, current approaches often overlook the importance of…

Computation and Language · Computer Science 2024-06-21 Hasan Abed Al Kader Hammoud , Umberto Michieli , Fabio Pizzati , Philip Torr , Adel Bibi , Bernard Ghanem , Mete Ozay

Graph-structured data is prevalent in the real world. Recently, due to the powerful emergent capabilities, Large Language Models (LLMs) have shown promising performance in modeling graphs. The key to effectively applying LLMs on graphs is…

Computation and Language · Computer Science 2024-10-16 Haitong Luo , Xuying Meng , Suhang Wang , Tianxiang Zhao , Fali Wang , Hanyun Cao , Yujun Zhang

The rapid advancements in large Language models (LLMs) have significantly enhanced their reasoning capabilities, driven by various strategies such as multi-agent collaboration. However, unlike the well-established performance improvements…

Artificial Intelligence · Computer Science 2026-04-23 Zihan Chen , Song Wang , Zhen Tan , Xingbo Fu , Zhenyu Lei , Peng Wang , Huan Liu , Cong Shen , Jundong Li

Large Language Models (LLMs) acquire extensive knowledge and remarkable abilities from extensive text corpora, making them powerful tools for various applications. To make LLMs more usable, aligning them with human preferences is essential.…

Computation and Language · Computer Science 2024-10-21 Mozhi Zhang , Pengyu Wang , Chenkun Tan , Mianqiu Huang , Dong Zhang , Yaqian Zhou , Xipeng Qiu

Large Language Models (LLMs) are regularly updated to enhance performance, typically through changes in data or architecture. Within the update process, developers often prioritize improving overall performance metrics, paying less…

Artificial Intelligence · Computer Science 2024-10-07 Jessica Echterhoff , Fartash Faghri , Raviteja Vemulapalli , Ting-Yao Hu , Chun-Liang Li , Oncel Tuzel , Hadi Pouransari
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