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Large Language Models (LLMs) have shown remarkable advancements in tackling agent-oriented tasks. Despite their potential, existing work faces challenges when deploying LLMs in agent-based environments. The widely adopted agent paradigm…

Computation and Language · Computer Science 2026-01-08 Keer Lu , Chong Chen , Xili Wang , Bin Cui , Yunhuai Liu , Wentao Zhang

Behavioral model diagrams, e.g., sequence diagrams, are an essential form of documentation that are typically designed by system engineers from requirements documentation, either fully manually or assisted by design tools. With the growing…

Software Engineering · Computer Science 2025-09-03 Khaled Ahmed , Jialing Song , Boqi Chen , Ou Wei , Bingzhou Zheng

Large Language Models (LLMs) have shown remarkable promise in reasoning and decision-making, yet their integration with Reinforcement Learning (RL) for complex robotic tasks remains underexplored. In this paper, we propose an LLM-guided…

Machine Learning · Computer Science 2025-03-26 Chak Lam Shek , Pratap Tokekar

Molecular editing-modifying a given molecule to improve desired properties-is a fundamental task in drug discovery. While LLMs hold the potential to solve this task using natural language to drive the editing, straightforward prompting…

Machine Learning · Computer Science 2026-02-10 Khiem Le , Ting Hua , Nitesh V. Chawla

Reinforcement learning (RL) has demonstrated notable success in post-training large language models (LLMs) as agents for tasks such as computer use, tool calling, and coding. However, exploration remains a central challenge in RL for LLM…

Machine Learning · Computer Science 2026-03-03 Andrew Szot , Michael Kirchhof , Omar Attia , Alexander Toshev

Reinforcement learning with multinomial logistic (MNL) function approximation has become an important framework due to its flexibility and broad applicability. While existing studies have established regret guarantees under worst-case…

Machine Learning · Statistics 2026-05-28 Wonyoung Kim , Min-Hwan Oh , Garud Iyengar , Assaf Zeevi

We introduce the Principled Reasoning and Acting (PRAct) framework, a novel method for learning and enforcing action principles from trajectory data. Central to our approach is the use of text gradients from a reflection and optimization…

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application…

Artificial Intelligence · Computer Science 2025-03-04 Caigao Jiang , Xiang Shu , Hong Qian , Xingyu Lu , Jun Zhou , Aimin Zhou , Yang Yu

Recently, there has been an increasing interest in automated prompt optimization based on reinforcement learning (RL). This approach offers important advantages, such as generating interpretable prompts and being compatible with black-box…

Machine Learning · Computer Science 2023-10-26 Dong-Ki Kim , Sungryull Sohn , Lajanugen Logeswaran , Dongsub Shim , Honglak Lee

Designing effective auxiliary rewards for cooperative multi-agent systems remains challenging, as misaligned incentives can induce suboptimal coordination, particularly when sparse task rewards provide insufficient grounding for coordinated…

Machine Learning · Computer Science 2026-04-07 Dogan Urgun , Gokhan Gungor

Large language models (LLMs) are promising backbones for generative recommender systems, yet a key challenge remains underexplored: verbalization, i.e., converting structured user interaction logs into effective natural language inputs.…

Artificial Intelligence · Computer Science 2026-03-20 Yucheng Shi , Ying Li , Yu Wang , Yesu Feng , Arjun Rao , Rein Houthooft , Shradha Sehgal , Jin Wang , Hao Zhen , Ninghao Liu , Linas Baltrunas

Decomposing complex tasks into a sequence of simpler subtasks can improve learning efficiency for an autonomous agent. Reinforcement learning (RL) can be used to optimize agent policies to complete subtasks, but requires well-defined…

Machine Learning · Computer Science 2026-05-26 Nicholas Potteiger , Ankita Samaddar , Taylor T. Johnson , Xenofon Koutsoukos

The parameter-efficient fine-tuning paradigm has garnered significant attention with the advancement of foundation models. Although numerous methods have been proposed to reduce the number of trainable parameters, their substantial memory…

Machine Learning · Computer Science 2025-09-30 Jiang-Xin Shi , Wen-Da Wei , Jin-Fei Qi , Xuanyu Chen , Tong Wei , Yu-Feng Li

Reinforcement Learning (RL) has made significant strides in enabling artificial agents to learn diverse behaviors. However, learning an effective policy often requires a large number of environment interactions. To mitigate sample…

Artificial Intelligence · Computer Science 2024-04-04 Yash Shukla , Tanushree Burman , Abhishek Kulkarni , Robert Wright , Alvaro Velasquez , Jivko Sinapov

The performance of Large Language Models (LLMs) depends heavily on the chosen prompting strategy, yet static approaches such as Zero-Shot, Few-Shot, or Chain-of-Thought (CoT) impose a rigid efficiency-accuracy trade-off. Highly accurate…

Machine Learning · Computer Science 2025-10-01 Jiexi Xu

LLM agents have incredible potential for scientific discovery applications. However, the performance of LLM agents on real-world, small molecule drug design (SMDD) tasks across diverse chemistries and targets is unclear. Current evaluation…

Artificial Intelligence · Computer Science 2026-05-26 Kevin Han , Renfei Zhang , Kathy Wei , Hamed Mahdavi , Niloofar Mireshghallah , Amir Barati Farimani

The reasoning abilities of Large Language Models (LLMs) remain a topic of debate. Some methods such as ReAct-based prompting, have gained popularity for claiming to enhance sequential decision-making abilities of agentic LLMs. However, it…

Artificial Intelligence · Computer Science 2024-05-24 Mudit Verma , Siddhant Bhambri , Subbarao Kambhampati

Interactive multimodal agents must convert raw visual observations into coherent sequences of language-conditioned actions -- a capability that current vision-language models (VLMs) still lack. Earlier reinforcement-learning (RL) efforts…

Machine Learning · Computer Science 2025-08-07 George Bredis , Stanislav Dereka , Viacheslav Sinii , Ruslan Rakhimov , Daniil Gavrilov

While reinforcement learning (RL) holds great potential for decision making in the real world, it suffers from a number of unique difficulties which often need specific consideration. In particular: it is highly non-stationary; suffers from…

Machine Learning · Computer Science 2025-04-16 Alexander David Goldie , Chris Lu , Matthew Thomas Jackson , Shimon Whiteson , Jakob Nicolaus Foerster

We introduce CompAct, a technique that reduces peak memory utilization on GPU by 25-30% for pretraining and 50% for fine-tuning of LLMs. Peak device memory is a major limiting factor in training LLMs, with various recent works aiming to…

Machine Learning · Computer Science 2025-02-11 Yara Shamshoum , Nitzan Hodos , Yuval Sieradzki , Assaf Schuster