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Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal oracle evaluations (computational prediction or wet-lab experiment).…

Biomolecules · Quantitative Biology 2023-05-26 Jeff Guo , Philippe Schwaller

This paper addresses the limitations of large language models in understanding long-term context. It proposes a model architecture equipped with a long-term memory mechanism to improve the retention and retrieval of semantic information…

Computation and Language · Computer Science 2025-05-30 Yue Xing , Tao Yang , Yijiashun Qi , Minggu Wei , Yu Cheng , Honghui Xin

Modern LLM-based agents and chat assistants rely on long-term memory frameworks to store reusable knowledge, recall user preferences, and augment reasoning. As researchers create more complex memory architectures, it becomes increasingly…

Machine Learning · Computer Science 2026-05-25 Alina Shutova , Alexandra Olenina , Ivan Vinogradov , Anton Sinitsin

The emerging hybrid DRAM-NVM architecture is challenging the existing memory management mechanism in operating system. In this paper, we introduce memos, which can schedule memory resources over the entire memory hierarchy including cache,…

Operating Systems · Computer Science 2017-03-23 Lei Liu , Mengyao Xie , Hao Yang

As generative agents become increasingly sophisticated and deployed in long-term interactive scenarios, their memory management capabilities emerge as a critical bottleneck for both performance and privacy. Current approaches either…

Artificial Intelligence · Computer Science 2025-12-16 Saad Alqithami

Automatic prompt optimization is a promising approach for adapting large language models (LLMs) to downstream tasks, yet existing methods typically search for a specific prompt specialized to a fixed task. This paradigm limits…

Computation and Language · Computer Science 2026-03-24 Guanbao Liang , Yuanchen Bei , Sheng Zhou , Yuheng Qin , Huan Zhou , Bingxin Jia , Bin Li , Jiajun Bu

Retrieval-Augmented Generation (RAG) enhances Large Language Models (LLMs) by retrieving relevant memories from an external database. However, existing RAG methods typically organize all memories in a whole database, potentially limiting…

Computation and Language · Computer Science 2024-05-28 Zheng Wang , Shu Xian Teo , Jieer Ouyang , Yongjun Xu , Wei Shi

Heap data is potentially unbounded and seemingly arbitrary. As a consequence, unlike stack and static memory, heap memory cannot be abstracted directly in terms of a fixed set of source variable names appearing in the program being…

Programming Languages · Computer Science 2016-07-05 Vini Kanvar , Uday P. Khedker

Ensuring factual accuracy while maintaining the creative capabilities of Large Language Model Agents (LMAs) poses significant challenges in the development of intelligent agent systems. LMAs face prevalent issues such as information…

Artificial Intelligence · Computer Science 2024-05-21 Diego Sanmartin

Retrieval-augmented generation (RAG) is widely utilized to incorporate external knowledge into large language models, thereby enhancing factuality and reducing hallucinations in question-answering (QA) tasks. A standard RAG pipeline…

Computation and Language · Computer Science 2025-10-08 Yiqun Chen , Lingyong Yan , Weiwei Sun , Xinyu Ma , Yi Zhang , Shuaiqiang Wang , Dawei Yin , Yiming Yang , Jiaxin Mao

Continuous knowledge updating for pre-trained large language models (LLMs) is increasingly necessary yet remains challenging. Although inference-time methods like In-Context Learning (ICL) and Retrieval-Augmented Generation (RAG) are…

Machine Learning · Computer Science 2026-05-07 Seungju Back , Dongwoo Lee , Naun Kang , Taehee Lee , S. K. Hong , Youngjune Gwon , Sungjin Ahn

Search is a key service within constraint programming systems, and it demands the restoration of previously accessed states during the exploration of a search tree. Restoration proceeds either bottom-up within the tree to roll back…

Programming Languages · Computer Science 2016-02-05 Yong Lin , Martin Henz

Owing to recent advancements, Large Language Models (LLMs) can now be deployed as agents for increasingly complex decision-making applications in areas including robotics, gaming, and API integration. However, reflecting past experiences in…

Retrieval-Augmented Generation (RAG) and vector-based search have become foundational tools for memory in AI systems, yet they struggle with abstraction, scalability, and semantic precision - especially in decentralized environments. We…

Artificial Intelligence · Computer Science 2025-04-09 Tooraj Helmi

Effective memory management is essential for large language model (LLM) agents handling long-term interactions. Current memory frameworks typically treat agents as passive "recorders" and retrieve information without understanding its…

Computation and Language · Computer Science 2026-03-03 Xiaohui Zhang , Zequn Sun , Chengyuan Yang , Yaqin Jin , Yazhong Zhang , Wei Hu

Multi-step retrieval-augmented generation (RAG) has become a widely adopted strategy for enhancing large language models (LLMs) on tasks that demand global comprehension and intensive reasoning. Although many RAG systems incorporate a…

Computation and Language · Computer Science 2026-05-28 Chulun Zhou , Chunkang Zhang , Guoxin Yu , Fandong Meng , Jie Zhou , Wai Lam , Mo Yu

Recent research on Reasoning of Large Language Models (LLMs) has sought to further enhance their performance by integrating meta-thinking -- enabling models to monitor, evaluate, and control their reasoning processes for more adaptive and…

Artificial Intelligence · Computer Science 2025-05-28 Ziyu Wan , Yunxiang Li , Xiaoyu Wen , Yan Song , Hanjing Wang , Linyi Yang , Mark Schmidt , Jun Wang , Weinan Zhang , Shuyue Hu , Ying Wen

Memory is a central capability for LLM agents operating across long-horizon tasks. Existing memory benchmarks predominantly evaluate retention of personalized information in multi-turn chat scenarios, overlooking the dynamic memory…

Computation and Language · Computer Science 2026-05-21 Wujiang Xu , Yu Wang , Kai Mei , Kaiqu Liang , Zhenting Wang , Mingyu Jin , Han Zhang , Shi-Xiong Zhang , Wenyue Hua , Sambit Sahu , Dimitris N. Metaxas

Large Language Models (LLMs) have made significant strides in information acquisition. However, their overreliance on potentially flawed parametric knowledge leads to hallucinations and inaccuracies, particularly when handling long-tail,…

Computation and Language · Computer Science 2024-05-07 Kaize Shi , Xueyao Sun , Qing Li , Guandong Xu

Although LLM agents can leverage tools for complex tasks, they still need memory to maintain cross-turn consistency and accumulate reusable information in long-horizon interactions. However, retrieval-based external memory systems incur low…

Artificial Intelligence · Computer Science 2026-04-23 Jiaquan Zhang , Chaoning Zhang , Shuxu Chen , Zhenzhen Huang , Pengcheng Zheng , Zhicheng Wang , Ping Guo , Fan Mo , Sung-Ho Bae , Jie Zou , Jiwei Wei , Yang Yang