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The recent development of Large Language Models (LLMs) has been accompanied by an effervescence of novel ideas and methods to better optimize the loss of deep learning models. Claims from those methods are myriad: from faster convergence to…

Machine Learning · Computer Science 2025-09-03 Andrei Semenov , Matteo Pagliardini , Martin Jaggi

Aligning large language models (LLMs) depends on high-quality datasets of human preference labels, which are costly to collect. Although active learning has been studied to improve sample efficiency relative to passive collection, many…

Machine Learning · Computer Science 2026-02-03 Yao Zhao , Kwang-Sung Jun

Aligning large language models (LLMs) to human preferences is challenging in domains where preference data is unavailable. We address the problem of learning reward models for such target domains by leveraging feedback collected from…

Machine Learning · Computer Science 2025-01-03 David Wu , Sanjiban Choudhury

Pretrained language models (LMs) showcase significant capabilities in processing molecular text, while concurrently, message passing neural networks (MPNNs) demonstrate resilience and versatility in the domain of molecular science. Despite…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Ziheng Chi

Large language models (LLMs) have achieved remarkable success across various NLP tasks with a focus on English due to English-centric pre-training and limited multilingual data. In this work, we focus on the problem of translation, and…

Computation and Language · Computer Science 2025-03-04 Haoran Xu , Kenton Murray , Philipp Koehn , Hieu Hoang , Akiko Eriguchi , Huda Khayrallah

Large language models (LLMs) possess strong multilingual capabilities, and combining Reinforcement Learning from Human Feedback (RLHF) with translation tasks has shown great potential. However, we observe that this paradigm performs…

Computation and Language · Computer Science 2025-08-06 Tianjiao Li , Mengran Yu , Chenyu Shi , Yanjun Zhao , Xiaojing Liu , Qiang Zhang , Qi Zhang , Xuanjing Huang , Jiayin Wang

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…

Artificial Intelligence · Computer Science 2026-05-12 Haorui Wang , Jeff Guo , Lingkai Kong , Rampi Ramprasad , Philippe Schwaller , Yuanqi Du , Chao Zhang

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Preference learning in Large Language Models (LLMs) has advanced significantly, yet existing methods remain limited by modest performance gains, high computational costs, hyperparameter sensitivity, and insufficient modeling of global…

Computation and Language · Computer Science 2026-04-03 Liang Zhu , Yuelin Bai , Xiankun Ren , Jiaxi Yang , Lei Zhang , Feiteng Fang , Hamid Alinejad-Rokny , Minghuan Tan , Min Yang

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…

Large language models (LLMs) have achieved remarkable capabilities across diverse tasks, yet their internal decision-making processes remain largely opaque. Mechanistic interpretability (i.e., the systematic study of how neural networks…

Computation and Language · Computer Science 2026-02-13 Usman Naseem

Hallucinations in large language models (LLMs) - instances where models generate plausible but factually incorrect information - present a significant challenge for AI. We introduce "Ask a Local", a novel hallucination detection method…

Computation and Language · Computer Science 2025-06-05 Aldan Creo , Héctor Cerezo-Costas , Pedro Alonso-Doval , Maximiliano Hormazábal-Lagos

Large Language Models (LLMs) have demonstrated exceptional performance across various natural language processing tasks. However, they occasionally generate inaccurate and counterfactual outputs, a phenomenon commonly referred to as…

Computation and Language · Computer Science 2025-06-04 Dingwei Chen , Feiteng Fang , Shiwen Ni , Feng Liang , Xiping Hu , Ahmadreza Argha , Hamid Alinejad-Rokny , Min Yang , Chengming Li

Although Neural Machine Translation (NMT) models have advanced state-of-the-art performance in machine translation, they face problems like the inadequate translation. We attribute this to that the standard Maximum Likelihood Estimation…

Computation and Language · Computer Science 2018-11-22 Xiang Kong , Zhaopeng Tu , Shuming Shi , Eduard Hovy , Tong Zhang

Large Language Models (LLMs) have achieved remarkable success across diverse applications, yet their deployment remains challenging due to substantial computational costs, memory requirements, and energy consumption. Recent empirical…

Machine Learning · Computer Science 2026-03-24 Kaito Tanaka , Masato Ito , Yuji Nishimura , Keisuke Matsuda , Aya Nakayama

Large Language Models (LLMs) have demonstrated remarkable capabilities, yet their transition to real-world applications reveals a critical limitation: the inability to adapt to individual preferences while maintaining alignment with…

Computation and Language · Computer Science 2025-05-06 Jian Guan , Junfei Wu , Jia-Nan Li , Chuanqi Cheng , Wei Wu

Spoken language understanding (SLU) is a fundamental task in the task-oriented dialogue systems. However, the inevitable errors from automatic speech recognition (ASR) usually impair the understanding performance and lead to error…

Computation and Language · Computer Science 2023-11-21 Xuxin Cheng , Bowen Cao , Qichen Ye , Zhihong Zhu , Hongxiang Li , Yuexian Zou

Algorithm selection, a critical process of automated machine learning, aims to identify the most suitable algorithm for solving a specific problem prior to execution. Mainstream algorithm selection techniques heavily rely on problem…

Machine Learning · Computer Science 2024-05-17 Xingyu Wu , Yan Zhong , Jibin Wu , Bingbing Jiang , Kay Chen Tan

Large Language Models (LLMs) deliver powerful AI capabilities but face deployment challenges due to high resource costs and latency, whereas Small Language Models (SLMs) offer efficiency and deployability at the cost of reduced performance.…

Artificial Intelligence · Computer Science 2025-05-13 Yi Chen , JiaHao Zhao , HaoHao Han

Large Language Models (LLMs) have achieved remarkable progress, yet their application in specialized fields, such as medical physics, remains challenging due to the need for domain-specific knowledge. This study introduces ARCoT (Adaptable…

Computation and Language · Computer Science 2024-05-21 Jace Grandinetti , Rafe McBeth
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