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Molecular optimization seeks to improve a molecule through small structural edits while preserving similarity to the starting compound. Recent language-model approaches typically treat this task as prompt-conditioned sequence generation.…

机器学习 · 计算机科学 2026-05-12 Qingchuan Zhang , He Cao , Hao Li , Yanjun Shao , Zhiyuan Liu , Shihang Wang , Shufang Xie , Shenghua Gao , Xinwu Ye

Reinforcement learning with verifiable rewards improves reasoning in large language models (LLMs), but many methods still rely on large human-labeled datasets. While self-play reduces this dependency, it often lacks explicit planning and…

人工智能 · 计算机科学 2026-03-18 Yulin Peng , Xinxin Zhu , Chenxing Wei , Nianbo Zeng , Leilei Wang , Ying Tiffany He , F. Richard Yu

Binary analysis increasingly relies on large language models (LLMs) to perform semantic reasoning over complex program behaviors. However, existing approaches largely adopt a one-pass execution paradigm, where reasoning operates over a…

密码学与安全 · 计算机科学 2026-04-17 XiangRui Zhang , Qiang Li , Haining Wang

Self-evolving language-model agents must decide what to learn next and how to preserve what they have learned across iterations. Existing systems typically carry this cross-iteration knowledge as natural-language feedback, flat episodic…

人工智能 · 计算机科学 2026-05-12 Ruiyi Yang , Zechen Li , Hao Xue , Imran Razzak , Flora D. Salim

Autonomous agents driven by Large Language Models (LLMs) have revolutionized reasoning and problem-solving but remain static after training, unable to grow with experience as intelligent beings do during deployment. We introduce Forward…

Long-term memory is becoming a central bottleneck for language agents. Exsting RAG and GraphRAG systems largely treat memory graphs as static retrieval middleware, which limits their ability to recover complete evidence chains from partial…

人工智能 · 计算机科学 2026-05-13 Juntong Wang , Haoyue Zhao , guanghui Pan , Xiyuan Wang , Yanbo Wang , Qiyan Deng , Muhan Zhang

Retrieval-Augmented Generation (RAG) grounds large language models with external evidence, but many implementations rely on pre-built indices that remain static after construction. Related queries therefore repeat similar multi-hop…

人工智能 · 计算机科学 2026-03-03 Yifan Wang , Mingxuan Jiang , Zhihao Sun , Yixin Cao , Yicun Liu , Keyang Chen , Guangnan Ye , Hongfeng Chai

Large language models (LLMs) have been increasingly used to interact with external environments (e.g., games, compilers, APIs) as goal-driven agents. However, it remains challenging for these language agents to quickly and efficiently learn…

人工智能 · 计算机科学 2023-10-11 Noah Shinn , Federico Cassano , Edward Berman , Ashwin Gopinath , Karthik Narasimhan , Shunyu Yao

Understanding how social networks form, whether through reciprocity, shared attributes, or triadic closure, is central to computational social science. Exponential Random Graph Models (ERGMs) offer a principled framework for testing such…

统计计算 · 统计学 2026-03-05 Yidan Sun , Mayank Kejriwal

Large Language Model (LLM) agents have demonstrated remarkable proficiency in learned tasks, yet they often struggle to adapt to non-stationary environments with feedback. While In-Context Learning and external memory offer some…

人工智能 · 计算机科学 2026-03-05 Lu Yang , Zelai Xu , Minyang Xie , Jiaxuan Gao , Zhao Shok , Yu Wang , Yi Wu

Large Language Model (LLM)-based agents have demonstrated remarkable capabilities in complex reasoning and multi-turn interactions but struggle to continuously improve and adapt when deployed in new environments. One promising approach is…

Language models can use verifiable rewards to improve at a wide variety of reasoning tasks. However, both parametric (e.g. RLVR) and non-parametric (e.g. prompt optimization) approaches to doing so typically require hundreds of training…

人工智能 · 计算机科学 2026-05-28 Linas Nasvytis , Simon Jerome Han , Ben Prystawski , Satchel Grant , Noah D. Goodman , Judith E. Fan

We present ReflexGrad, a dual-process architecture for within-episode failure recovery in LLM agents without demonstrations. When agents commit to a wrong approach early and exhaust the step budget, the post-failure trajectory contains the…

机器学习 · 计算机科学 2026-05-29 Ankush Kadu , Aswanth Krishnan

Diffusion models have achieved remarkable progress in class-to-image generation. However, we observe that despite impressive FID scores, state-of-the-art models often generate distorted or low-quality images, especially in certain classes.…

计算机视觉与模式识别 · 计算机科学 2025-08-14 Jie Shao , Ke Zhu , Minghao Fu , Guo-hua Wang , Jianxin Wu

Despite their remarkable capabilities, large language models (LLMs) often produce responses containing factual inaccuracies due to their sole reliance on the parametric knowledge they encapsulate. Retrieval-Augmented Generation (RAG), an ad…

计算与语言 · 计算机科学 2023-10-19 Akari Asai , Zeqiu Wu , Yizhong Wang , Avirup Sil , Hannaneh Hajishirzi

Large language model (LLM) based agents are increasingly used to tackle software engineering tasks that require multi-step reasoning and code modification, demonstrating promising yet limited performance. However, most existing LLM agents…

人工智能 · 计算机科学 2025-11-11 Hiroaki Hayashi , Bo Pang , Wenting Zhao , Ye Liu , Akash Gokul , Srijan Bansal , Caiming Xiong , Semih Yavuz , Yingbo Zhou

Self-Refinement refers to a model's ability to revise its own responses to produce improved outputs. This capability can also serve as a fundamental mechanism for Self-Improvement, for example, by reconstructing datasets with refined…

Reinforcement learning from human feedback (RLHF) has become the dominant paradigm for aligning large language models with human preferences. However, policy gradient methods such as PPO suffer from high variance gradient estimates,…

机器学习 · 计算机科学 2026-01-21 Lukas Abrie Nel

Large Language Models (LLMs) have shown impressive capabilities across various tasks but remain vulnerable to meticulously crafted jailbreak attacks. In this paper, we identify a critical safety gap: while LLMs are adept at detecting…

计算与语言 · 计算机科学 2025-05-20 Peng Ding , Jun Kuang , Zongyu Wang , Xuezhi Cao , Xunliang Cai , Jiajun Chen , Shujian Huang

LLM agents increasingly operate in open-ended environments spanning hundreds of sequential episodes, yet they remain largely stateless: each task is solved from scratch without converting past experience into better future behavior. The…

计算与语言 · 计算机科学 2026-04-24 Wujiang Xu , Jiaojiao Han , Minghao Guo , Kai Mei , Xi Zhu , Han Zhang , Dimitris N. Metaxas
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