Molecular science represents an important frontier for LLM-based agents. Unlike general agents that mainly operate over natural language, code, or web environments, molecular LLM agents must perceive, reason about, and act upon chemical objects across symbolic strings, molecular graphs, 3D conformations, spectra, simulations, and wet-lab measurements. Their capabilities depend on chemically faithful molecular perception, an LLM-centered agent framework, domain-specific tool grounding, and computational or experimental feedback, in addition to planning and tool use. This work develops a conceptual framework for molecular LLM agents from two complementary perspectives. First, we introduce an architectural view of molecular-agent design, covering molecular representation and perception, the agent framework, domain-specific toolboxes, and learning and optimization. Second, we propose a scientific autonomy ladder inspired by staged autonomy in engineering systems, categorizing agents into four levels: L1 assistive or fixed workflows, L2 adaptive computational agents, L3 feedback-aware physical experiment agents, and L4 scientific-agenda agents. Together, these two perspectives establish a comprehensive framework for comparing existing molecular LLM agents, identifying missing capabilities and deployment risks, and guiding the design, evaluation, and deployment of future agents in molecular discovery workflows.

Foundation-model agents increasingly rely on reusable skills to support tool use, long-horizon planning, and cross-task adaptation. Yet the term remains ambiguous in the literature, where it may refer to prompt packages, executable workflows, learned routines, or repository artifacts. This ambiguity makes it difficult to compare methods, evaluate progress, and reason clearly about security and governance.We study agent skills as reusable and adaptive units of competence that sit between model capability and situated task execution. The survey first separates skills from nearby constructs such as prompts, tools, memory, and policies. It then organizes the literature around representation, lifecycle and orchestration, evaluation, security and governance, and application domains. The evidence suggests that skill quality alone is not enough: useful skills also depend on abstraction choices, retrieval and composition mechanisms, ecosystem structure, and infrastructure security. We therefore treat agent skills as a research object in their own right and identify open problems in automatic induction, cross-environment transfer, longitudinal evaluation, and trustworthy sharing in open agent ecosystems.

Recent advancements in diffusion models have significantly impacted content creation, leading to the emergence of personalized content synthesis (PCS). By utilizing a small set of user-provided examples featuring the same subject, PCS aims to tailor this subject to specific user-defined prompts. Over the past two years, more than 150 methods have been introduced in this area. However, existing surveys primarily focus on text-to-image generation, with few providing up-to-date summaries on PCS. This paper provides a comprehensive survey of PCS, introducing the general frameworks of PCS research, which can be categorized into test-time fine-tuning (TTF) and pre-trained adaptation (PTA) approaches. We analyze the strengths, limitations and key techniques of these methodologies. Additionally, we explore specialized tasks within the field, such as object, face and style personalization, while highlighting their unique challenges and innovations. Despite the promising progress, we also discuss ongoing challenges, including overfitting and the trade-off between subject fidelity and text alignment. Through this detailed overview and analysis, we propose future directions to further the development of PCS.

Retrieval-Augmented Generation (RAG) enhances factual accuracy by integrating external knowledge, yet it introduces a critical issue: erroneous or biased retrieval can mislead generation, compounding hallucinations, a phenomenon we term Hallucination on Hallucination. To address this, we propose Debate Augmented RAG (DRAG), a training-free framework that integrates Multi-Agent Debate (MAD) mechanisms into both retrieval and generation stages. In retrieval, DRAG employs structured debates among proponents, opponents, and judges to refine retrieval quality and ensure factual reliability. In generation, DRAG introduces asymmetric information roles and adversarial debates, enhancing reasoning robustness and mitigating factual inconsistencies. Evaluations across multiple tasks demonstrate that DRAG improves retrieval reliability, reduces RAG-induced hallucinations, and significantly enhances overall factual accuracy. Our code is available at https://github.com/Huenao/Debate-Augmented-RAG.

The accurate categorization of compounds within the anatomical therapeutic chemical (ATC) system is fundamental for drug development and fundamental research. Although this area has garnered significant research focus for over a decade, the majority of prior studies have concentrated solely on the Level 1 labels defined by the World Health Organization (WHO), neglecting the labels of the remaining four levels. This narrow focus fails to address the true nature of the task as a multilevel, multi-label classification challenge. Moreover, existing benchmarks like Chen-2012 and ATC-SMILES have become outdated, lacking the incorporation of new drugs or updated properties of existing ones that have emerged in recent years and have been integrated into the WHO ATC system. To tackle these shortcomings, we present a comprehensive approach in this paper. Firstly, we systematically cleanse and enhance the drug dataset, expanding it to encompass all five levels through a rigorous cross-resource validation process involving KEGG, PubChem, ChEMBL, ChemSpider, and ChemicalBook. This effort culminates in the creation of a novel benchmark termed ATC-GRAPH. Secondly, we extend the classification task to encompass Level 2 and introduce graph-based learning techniques to provide more accurate representations of drug molecular structures. This approach not only facilitates the modeling of Polymers, Macromolecules, and Multi-Component drugs more precisely but also enhances the overall fidelity of the classification process. The efficacy of our proposed framework is validated through extensive experiments, establishing a new state-of-the-art methodology. To facilitate the replication of this study, we have made the benchmark dataset, source code, and web server openly accessible.