As researchers continuously optimize AI agents to perform tasks more effectively within operating systems, they often neglect to address the critical need for enabling these agents to identify "impostors" within the system. Through an analysis of the agents' operating environment, we identified a potential threat: attackers can disguise their attack methods as environmental elements, injecting active disturbances into the agents' execution process, thereby disrupting their decision-making. We define this type of attack as Active Environment Injection Attack (AEIA). Based on this, we propose AEIA-MN, an active environment injection attack scheme that exploits interaction vulnerabilities in the mobile operating system to evaluate the robustness of MLLM-based agents against such threats. Experimental results show that even advanced MLLMs are highly vulnerable to this attack, achieving a maximum attack success rate of 93% in the AndroidWorld benchmark.

Graphical User Interface (GUI) Agents, powered by multimodal large language models (MLLMs), have shown great potential for task automation on computing devices such as computers and mobile phones. However, existing agents face challenges in multi-step reasoning and reliance on textual annotations, limiting their effectiveness. We introduce \textit{InfiGUIAgent}, an MLLM-based GUI Agent trained with a two-stage supervised fine-tuning pipeline. Stage 1 enhances fundamental skills such as GUI understanding and grounding, while Stage 2 integrates hierarchical reasoning and expectation-reflection reasoning skills using synthesized data to enable native reasoning abilities of the agents. \textit{InfiGUIAgent} achieves competitive performance on several GUI benchmarks, highlighting the impact of native reasoning skills in enhancing GUI interaction for automation tasks. Resources are available at \url{https://github.com/Reallm-Labs/InfiGUIAgent}.

Retrieval-Augmented Generation (RAG) has proven to be an effective method for mitigating hallucination issues inherent in large language models (LLMs). Previous approaches typically train retrievers based on semantic similarity, lacking optimization for RAG. More recent works have proposed aligning retrievers with the preference signals of LLMs. However, these preference signals are often difficult for dense retrievers, which typically have weaker language capabilities, to understand and learn effectively. Drawing inspiration from pedagogical theories like Guided Discovery Learning, we propose a novel framework, FiGRet (Fine-grained Guidance for Retrievers), which leverages the language capabilities of LLMs to construct examples from a more granular, information-centric perspective to guide the learning of retrievers. Specifically, our method utilizes LLMs to construct easy-to-understand examples from samples where the retriever performs poorly, focusing on three learning objectives highly relevant to the RAG scenario: relevance, comprehensiveness, and purity. These examples serve as scaffolding to ultimately align the retriever with the LLM's preferences. Furthermore, we employ a dual curriculum learning strategy and leverage the reciprocal feedback between LLM and retriever to further enhance the performance of the RAG system. A series of experiments demonstrate that our proposed framework enhances the performance of RAG systems equipped with different retrievers and is applicable to various LLMs.

Structure-based drug design aims at generating high affinity ligands with prior knowledge of 3D target structures. Existing methods either use conditional generative model to learn the distribution of 3D ligands given target binding sites, or iteratively modify molecules to optimize a structure-based activity estimator. The former is highly constrained by data quantity and quality, which leaves optimization-based approaches more promising in practical scenario. However, existing optimization-based approaches choose to edit molecules in 2D space, and use molecular docking to estimate the activity using docking predicted 3D target-ligand complexes. The misalignment between the action space and the objective hinders the performance of these models, especially for those employ deep learning for acceleration. In this work, we propose MolEdit3D to combine 3D molecular generation with optimization frameworks. We develop a novel 3D graph editing model to generate molecules using fragments, and pre-train this model on abundant 3D ligands for learning target-independent properties. Then we employ a target-guided self-learning strategy to improve target-related properties using self-sampled molecules. MolEdit3D achieves state-of-the-art performance on majority of the evaluation metrics, and demonstrate strong capability of capturing both target-dependent and -independent properties.

In this paper, we introduce "InfiAgent-DABench", the first benchmark specifically designed to evaluate LLM-based agents in data analysis tasks. This benchmark contains DAEval, a dataset consisting of 311 data analysis questions derived from 55 CSV files, and an agent framework to evaluate LLMs as data analysis agents. We adopt a format-prompting technique, ensuring questions to be closed-form that can be automatically evaluated. Our extensive benchmarking of 23 state-of-the-art LLMs uncovers the current challenges encountered in data analysis tasks. In addition, we have developed DAAgent, a specialized agent trained on instruction-tuning datasets. Evaluation datasets and toolkits for InfiAgent-DABench are released at https://github.com/InfiAgent/InfiAgent.

Large language models (LLMs) have made significant progress in code generation tasks, but their performance in tackling programming problems with complex data structures and algorithms remains suboptimal. To address this issue, we propose an in-context learning approach that guides LLMs to debug by using a "print debugging" method, which involves inserting print statements to trace and analysing logs for fixing the bug. We collect a Leetcode problem dataset and evaluate our method using the Leetcode online judging system. Experiments with GPT-4 demonstrate the effectiveness of our approach, outperforming rubber duck debugging in easy and medium-level Leetcode problems by 1.5% and 17.9%.