Daily Papers

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

Computational Fluid Dynamics (CFD) is an essential simulation tool in various engineering disciplines, but it often requires substantial domain expertise and manual configuration, creating barriers to entry. We present Foam-Agent, a multi-agent framework that automates complex OpenFOAM-based CFD simulation workflows from natural language inputs. Our innovation includes (1) a hierarchical multi-index retrieval system with specialized indices for different simulation aspects, (2) a dependency-aware file generation system that provides consistency management across configuration files, and (3) an iterative error correction mechanism that diagnoses and resolves simulation failures without human intervention. Through comprehensive evaluation on the dataset of 110 simulation tasks, Foam-Agent achieves an 83.6% success rate with Claude 3.5 Sonnet, significantly outperforming existing frameworks (55.5% for MetaOpenFOAM and 37.3% for OpenFOAM-GPT). Ablation studies demonstrate the critical contribution of each system component, with the specialized error correction mechanism providing a 36.4% performance improvement. Foam-Agent substantially lowers the CFD expertise threshold while maintaining modeling accuracy, demonstrating the potential of specialized multi-agent systems to democratize access to complex scientific simulation tools. The code is public at https://github.com/csml-rpi/Foam-Agent

Machine learning-based surrogate models have emerged as a powerful tool to accelerate simulation-driven scientific workflows. However, their widespread adoption is hindered by the lack of large-scale, diverse, and standardized datasets tailored to physics-based simulations. While existing initiatives provide valuable contributions, many are limited in scope-focusing on specific physics domains, relying on fragmented tooling, or adhering to overly simplistic datamodels that restrict generalization. To address these limitations, we introduce PLAID (Physics-Learning AI Datamodel), a flexible and extensible framework for representing and sharing datasets of physics simulations. PLAID defines a unified standard for describing simulation data and is accompanied by a library for creating, reading, and manipulating complex datasets across a wide range of physical use cases (gitlab.com/drti/plaid). We release six carefully crafted datasets under the PLAID standard, covering structural mechanics and computational fluid dynamics, and provide baseline benchmarks using representative learning methods. Benchmarking tools are made available on Hugging Face, enabling direct participation by the community and contribution to ongoing evaluation efforts (huggingface.co/PLAIDcompetitions).

We present MOFA, an open-source generative AI (GenAI) plus simulation workflow for high-throughput generation of metal-organic frameworks (MOFs) on large-scale high-performance computing (HPC) systems. MOFA addresses key challenges in integrating GPU-accelerated computing for GPU-intensive GenAI tasks, including distributed training and inference, alongside CPU- and GPU-optimized tasks for screening and filtering AI-generated MOFs using molecular dynamics, density functional theory, and Monte Carlo simulations. These heterogeneous tasks are unified within an online learning framework that optimizes the utilization of available CPU and GPU resources across HPC systems. Performance metrics from a 450-node (14,400 AMD Zen 3 CPUs + 1800 NVIDIA A100 GPUs) supercomputer run demonstrate that MOFA achieves high-throughput generation of novel MOF structures, with CO_2 adsorption capacities ranking among the top 10 in the hypothetical MOF (hMOF) dataset. Furthermore, the production of high-quality MOFs exhibits a linear relationship with the number of nodes utilized. The modular architecture of MOFA will facilitate its integration into other scientific applications that dynamically combine GenAI with large-scale simulations.

Recent advances in leveraging the agentic paradigm of large language models (LLMs) utilization have significantly enhanced Text-to-SQL capabilities, enabling users without specialized database expertise to query data intuitively. However, deploying these agentic LLM-based Text-to-SQL systems in production poses substantial challenges due to their inherently multi-stage workflows, stringent latency constraints, and potentially heterogeneous GPU infrastructure in enterprise environments. Current LLM serving frameworks lack effective mechanisms for handling interdependent inference tasks, dynamic latency variability, and resource heterogeneity, leading to suboptimal performance and frequent service-level objective (SLO) violations. In this paper, we introduce HEXGEN-TEXT2SQL, a novel framework designed explicitly to schedule and execute agentic multi-stage LLM-based Text-to-SQL workflows on heterogeneous GPU clusters that handle multi-tenant end-to-end queries. HEXGEN-TEXT2SQL introduce a hierarchical scheduling approach combining global workload-balanced task dispatching and local adaptive urgency-guided prioritization, guided by a systematic analysis of agentic Text-to-SQL workflows. Additionally, we propose a lightweight simulation-based method for tuning critical scheduling hyperparameters, further enhancing robustness and adaptability. Our extensive evaluation on realistic Text-to-SQL benchmarks demonstrates that HEXGEN-TEXT2SQL significantly outperforms state-of-the-art LLM serving frameworks. Specifically, HEXGEN-TEXT2SQL reduces latency deadlines by up to 1.67times (average: 1.41times) and improves system throughput by up to 1.75times (average: 1.65times) compared to vLLM under diverse, realistic workload conditions. Our code is available at https://github.com/Relaxed-System-Lab/Hexgen-Flow.

We present an open-source database of superconducting quantum device designs that may be used as the starting point for customized devices. Each design can be generated programmatically using the open-source Qiskit Metal package, and simulated using finite-element electromagnetic solvers. We present a robust workflow for achieving high accuracy on design simulations. Many designs in the database are experimentally validated, showing excellent agreement between simulated and measured parameters. Our database includes a front-end interface that allows users to generate ``best-guess'' designs based on desired circuit parameters. This project lowers the barrier to entry for research groups seeking to make a new class of devices by providing them a well-characterized starting point from which to refine their designs.

Recent advances in large language models (LLMs) have opened new avenues for applying multi-agent systems in very large-scale simulations. However, there remain several challenges when conducting multi-agent simulations with existing platforms, such as limited scalability and low efficiency, unsatisfied agent diversity, and effort-intensive management processes. To address these challenges, we develop several new features and components for AgentScope, a user-friendly multi-agent platform, enhancing its convenience and flexibility for supporting very large-scale multi-agent simulations. Specifically, we propose an actor-based distributed mechanism as the underlying technological infrastructure towards great scalability and high efficiency, and provide flexible environment support for simulating various real-world scenarios, which enables parallel execution of multiple agents, centralized workflow orchestration, and both inter-agent and agent-environment interactions among agents. Moreover, we integrate an easy-to-use configurable tool and an automatic background generation pipeline in AgentScope, simplifying the process of creating agents with diverse yet detailed background settings. Last but not least, we provide a web-based interface for conveniently monitoring and managing a large number of agents that might deploy across multiple devices. We conduct a comprehensive simulation to demonstrate the effectiveness of the proposed enhancements in AgentScope, and provide detailed observations and discussions to highlight the great potential of applying multi-agent systems in large-scale simulations. The source code is released on GitHub at https://github.com/modelscope/agentscope to inspire further research and development in large-scale multi-agent simulations.

Workflows are a fundamental component of automation in enterprise platforms, enabling the orchestration of tasks, data processing, and system integrations. Despite being widely used, building workflows can be complex, often requiring manual configuration through low-code platforms or visual programming tools. To simplify this process, we explore the use of generative foundation models, particularly vision-language models (VLMs), to automatically generate structured workflows from visual inputs. Translating hand-drawn sketches or computer-generated diagrams into executable workflows is challenging due to the ambiguity of free-form drawings, variations in diagram styles, and the difficulty of inferring execution logic from visual elements. To address this, we introduce StarFlow, a framework for generating structured workflow outputs from sketches using vision-language models. We curate a diverse dataset of workflow diagrams -- including synthetic, manually annotated, and real-world samples -- to enable robust training and evaluation. We finetune and benchmark multiple vision-language models, conducting a series of ablation studies to analyze the strengths and limitations of our approach. Our results show that finetuning significantly enhances structured workflow generation, outperforming large vision-language models on this task.

This paper introduces Opus, a novel framework for generating and optimizing Workflows tailored to complex Business Process Outsourcing (BPO) use cases, focusing on cost reduction and quality enhancement while adhering to established industry processes and operational constraints. Our approach generates executable Workflows from Intention, defined as the alignment of Client Input, Client Output, and Process Context. These Workflows are represented as Directed Acyclic Graphs (DAGs), with nodes as Tasks consisting of sequences of executable Instructions, including tools and human expert reviews. We adopt a two-phase methodology: Workflow Generation and Workflow Optimization. In the Generation phase, Workflows are generated using a Large Work Model (LWM) informed by a Work Knowledge Graph (WKG) that encodes domain-specific procedural and operational knowledge. In the Optimization phase, Workflows are transformed into Workflow Graphs (WFGs), where optimal Workflows are determined through path optimization. Our experiments demonstrate that state-of-the-art Large Language Models (LLMs) face challenges in reliably retrieving detailed process data as well as generating industry-compliant workflows. The key contributions of this paper include: - The integration of a Work Knowledge Graph (WKG) into a Large Work Model (LWM), enabling the generation of context-aware, semantically aligned, structured and auditable Workflows. - A two-phase approach that combines Workflow Generation from Intention with graph-based Workflow Optimization. - Opus Alpha 1 Large and Opus Alpha 1 Small, models that outperform state-of-the-art LLMs by 38\% and 29\% respectively in Workflow Generation for a Medical Coding use case.

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing these workflows requires significant human effort, limiting scalability and generalizability. Recent research has sought to automate the generation and optimization of these workflows, but existing methods still rely on initial manual setup and fall short of achieving fully automated and effective workflow generation. To address this challenge, we reformulate workflow optimization as a search problem over code-represented workflows, where LLM-invoking nodes are connected by edges. We introduce AFlow, an automated framework that efficiently explores this space using Monte Carlo Tree Search, iteratively refining workflows through code modification, tree-structured experience, and execution feedback. Empirical evaluations across six benchmark datasets demonstrate AFlow's efficacy, yielding a 5.7% average improvement over state-of-the-art baselines. Furthermore, AFlow enables smaller models to outperform GPT-4o on specific tasks at 4.55% of its inference cost in dollars. The code will be available at https://github.com/geekan/MetaGPT.

AI technologies are moving rapidly from research to production. With the popularity of Foundation Models (FMs) that generate text, images, and video, AI-based systems are increasing their complexity. Compared to traditional AI-based software, systems employing FMs, or GenAI-based systems, are more difficult to design due to their scale and versatility. This makes it necessary to document best practices, known as design patterns in software engineering, that can be used across GenAI applications. Our first contribution is to formalize two techniques, Task Decomposition and Retrieval-Augmented Generation (RAG), as design patterns for GenAI-based systems. We discuss their trade-offs in terms of software quality attributes and comment on alternative approaches. We recommend to AI practitioners to consider these techniques not only from a scientific perspective but also from the standpoint of desired engineering properties such as flexibility, maintainability, safety, and security. As a second contribution, we describe our industry experience applying Task Decomposition and RAG to build a complex real-world GenAI application for enterprise users: Workflow Generation. The task of generating workflows entails generating a specific plan using data from the system environment, taking as input a user requirement. As these two patterns affect the entire AI development cycle, we explain how they impacted the dataset creation, model training, model evaluation, and deployment phases.

Large Language Models (LLMs), with their exceptional ability to handle a wide range of tasks, have driven significant advancements in tackling reasoning and planning tasks, wherein decomposing complex problems into executable workflows is a crucial step in this process. Existing workflow evaluation frameworks either focus solely on holistic performance or suffer from limitations such as restricted scenario coverage, simplistic workflow structures, and lax evaluation standards. To this end, we introduce WorFBench, a unified workflow generation benchmark with multi-faceted scenarios and intricate graph workflow structures. Additionally, we present WorFEval, a systemic evaluation protocol utilizing subsequence and subgraph matching algorithms to accurately quantify the LLM agent's workflow generation capabilities. Through comprehensive evaluations across different types of LLMs, we discover distinct gaps between the sequence planning capabilities and graph planning capabilities of LLM agents, with even GPT-4 exhibiting a gap of around 15%. We also train two open-source models and evaluate their generalization abilities on held-out tasks. Furthermore, we observe that the generated workflows can enhance downstream tasks, enabling them to achieve superior performance with less time during inference. Code and dataset will be available at https://github.com/zjunlp/WorFBench.

Recent studies have shown that carefully designed workflows coordinating large language models(LLMs) significantly enhance task-solving capabilities compared to using a single model. While an increasing number of works focus on autonomous workflow construction, most existing approaches rely solely on historical experience, leading to limitations in efficiency and adaptability. We argue that while historical experience is valuable, workflow construction should also flexibly respond to the unique characteristics of each task. To this end, we propose an a priori dynamic framework for automated workflow construction. Our framework first leverages Q-table learning to optimize the decision space, guiding agent decisions and enabling effective use of historical experience. At the same time, agents evaluate the current task progress and make a priori decisions regarding the next executing agent, allowing the system to proactively select the more suitable workflow structure for each given task. Additionally, we incorporate mechanisms such as cold-start initialization, early stopping, and pruning to further improve system efficiency. Experimental evaluations on four benchmark datasets demonstrate the feasibility and effectiveness of our approach. Compared to state-of-the-art baselines, our method achieves an average improvement of 4.05%, while reducing workflow construction and inference costs to only 30.68%-48.31% of those required by existing methods.

Recent advancements in large language models (LLMs) have driven a revolutionary paradigm shift in process automation from Robotic Process Automation to Agentic Process Automation by automating the workflow orchestration procedure based on LLMs. However, existing LLMs (even the advanced OpenAI GPT-4o) are confined to achieving satisfactory capability in workflow orchestration. To address this limitation, we present WorkflowLLM, a data-centric framework elaborately designed to enhance the capability of LLMs in workflow orchestration. It first constructs a large-scale fine-tuning dataset WorkflowBench with 106,763 samples, covering 1,503 APIs from 83 applications across 28 categories. Specifically, the construction process can be divided into three phases: (1) Data Collection: we collect real-world workflow data from Apple Shortcuts and RoutineHub, transcribing them into Python-style code. We further equip them with generated hierarchical thought via ChatGPT. (2) Query Expansion: we prompt ChatGPT to generate more task queries to enrich the diversity and complexity of workflows. (3) Workflow Generation: we leverage an annotator model trained on collected data to generate workflows for synthesized queries. Finally, we merge the synthetic samples that pass quality confirmation with the collected samples to obtain the WorkflowBench. Based on WorkflowBench, we fine-tune Llama-3.1-8B to obtain WorkflowLlama. Our experiments show that WorkflowLlama demonstrates a strong capacity to orchestrate complex workflows, while also achieving notable generalization performance on previously unseen APIs. Additionally, WorkflowBench exhibits robust zero-shot generalization capabilities on an out-of-distribution task planning dataset, T-Eval. Our data and code are available at https://github.com/OpenBMB/WorkflowLLM.

We introduce the Series-Parallel Workflow Decomposition (SP\-WD) heuristic algorithm for the Workflow Scheduling Problem (WSP) decomposition. We demonstrate that the SPWD algorithm facilitates the scheduling of large WSP instances with the hybrid D-Wave Constrained Quadratic Model solver, enabling the scheduling of instances that would otherwise exceed its capacity limitations. We also describe the accompanying execution environment used to obtain the results of the experiments with real-life workflow instances available in the WfCommons standardization initiative repository.

Multi-agent frameworks powered by large language models (LLMs) have demonstrated great success in automated planning and task execution. However, the effective adjustment of Agentic workflows during execution has not been well-studied. A effective workflow adjustment is crucial, as in many real-world scenarios, the initial plan must adjust to unforeseen challenges and changing conditions in real-time to ensure the efficient execution of complex tasks. In this paper, we define workflows as an activity-on-vertex (AOV) graphs. We continuously refine the workflow by dynamically adjusting task allocations based on historical performance and previous AOV with LLM agents. To further enhance system performance, we emphasize modularity in workflow design based on measuring parallelism and dependence complexity. Our proposed multi-agent framework achieved efficient sub-task concurrent execution, goal achievement, and error tolerance. Empirical results across different practical tasks demonstrate dramatic improvements in the efficiency of multi-agent frameworks through dynamic workflow updating and modularization.

Data science and engineering workflows often span multiple stages, from warehousing to orchestration, using tools like BigQuery, dbt, and Airbyte. As vision language models (VLMs) advance in multimodal understanding and code generation, VLM-based agents could potentially automate these workflows by generating SQL queries, Python code, and GUI operations. This automation can improve the productivity of experts while democratizing access to large-scale data analysis. In this paper, we introduce Spider2-V, the first multimodal agent benchmark focusing on professional data science and engineering workflows, featuring 494 real-world tasks in authentic computer environments and incorporating 20 enterprise-level professional applications. These tasks, derived from real-world use cases, evaluate the ability of a multimodal agent to perform data-related tasks by writing code and managing the GUI in enterprise data software systems. To balance realistic simulation with evaluation simplicity, we devote significant effort to developing automatic configurations for task setup and carefully crafting evaluation metrics for each task. Furthermore, we supplement multimodal agents with comprehensive documents of these enterprise data software systems. Our empirical evaluation reveals that existing state-of-the-art LLM/VLM-based agents do not reliably automate full data workflows (14.0% success). Even with step-by-step guidance, these agents still underperform in tasks that require fine-grained, knowledge-intensive GUI actions (16.2%) and involve remote cloud-hosted workspaces (10.6%). We hope that Spider2-V paves the way for autonomous multimodal agents to transform the automation of data science and engineering workflow. Our code and data are available at https://spider2-v.github.io.

This paper introduces the Opus Workflow Evaluation Framework, a probabilistic-normative formulation for quantifying Workflow quality and efficiency. It integrates notions of correctness, reliability, and cost into a coherent mathematical model that enables direct comparison, scoring, and optimization of Workflows. The framework combines the Opus Workflow Reward, a probabilistic function estimating expected performance through success likelihood, resource usage, and output gain, with the Opus Workflow Normative Penalties, a set of measurable functions capturing structural and informational quality across Cohesion, Coupling, Observability, and Information Hygiene. It supports automated Workflow assessment, ranking, and optimization within modern automation systems such as Opus and can be integrated into Reinforcement Learning loops to guide Workflow discovery and refinement. In this paper, we introduce the Opus Workflow Reward model that formalizes Workflow success as a probabilistic expectation over costs and outcomes. We define measurable Opus Workflow Normative Penalties capturing structural, semantic, and signal-related properties of Workflows. Finally, we propose a unified optimization formulation for identifying and ranking optimal Workflows under joint Reward-Penalty trade-offs.

ComfyUI provides a widely-adopted, workflow-based interface that enables users to customize various image generation tasks through an intuitive node-based architecture. However, the intricate connections between nodes and diverse modules often present a steep learning curve for users. In this paper, we introduce ComfyGPT, the first self-optimizing multi-agent system designed to generate ComfyUI workflows based on task descriptions automatically. ComfyGPT comprises four specialized agents: ReformatAgent, FlowAgent, RefineAgent, and ExecuteAgent. The core innovation of ComfyGPT lies in two key aspects. First, it focuses on generating individual node links rather than entire workflows, significantly improving generation precision. Second, we proposed FlowAgent, a LLM-based workflow generation agent that uses both supervised fine-tuning (SFT) and reinforcement learning (RL) to improve workflow generation accuracy. Moreover, we introduce FlowDataset, a large-scale dataset containing 13,571 workflow-description pairs, and FlowBench, a comprehensive benchmark for evaluating workflow generation systems. We also propose four novel evaluation metrics: Format Validation (FV), Pass Accuracy (PA), Pass Instruct Alignment (PIA), and Pass Node Diversity (PND). Experimental results demonstrate that ComfyGPT significantly outperforms existing LLM-based methods in workflow generation.

Much previous AI research has focused on developing monolithic models to maximize their intelligence and capability, with the primary goal of enhancing performance on specific tasks. In contrast, this paper explores an alternative approach: collaborative AI systems that use workflows to integrate models, data sources, and pipelines to solve complex and diverse tasks. We introduce GenAgent, an LLM-based framework that automatically generates complex workflows, offering greater flexibility and scalability compared to monolithic models. The core innovation of GenAgent lies in representing workflows with code, alongside constructing workflows with collaborative agents in a step-by-step manner. We implement GenAgent on the ComfyUI platform and propose a new benchmark, OpenComfy. The results demonstrate that GenAgent outperforms baseline approaches in both run-level and task-level evaluations, showing its capability to generate complex workflows with superior effectiveness and stability.

LLM-based agents have emerged as promising tools, which are crafted to fulfill complex tasks by iterative planning and action. However, these agents are susceptible to undesired planning hallucinations when lacking specific knowledge for expertise-intensive tasks. To address this, preliminary attempts are made to enhance planning reliability by incorporating external workflow-related knowledge. Despite the promise, such infused knowledge is mostly disorganized and diverse in formats, lacking rigorous formalization and comprehensive comparisons. Motivated by this, we formalize different formats of workflow knowledge and present FlowBench, the first benchmark for workflow-guided planning. FlowBench covers 51 different scenarios from 6 domains, with knowledge presented in diverse formats. To assess different LLMs on FlowBench, we design a multi-tiered evaluation framework. We evaluate the efficacy of workflow knowledge across multiple formats, and the results indicate that current LLM agents need considerable improvements for satisfactory planning. We hope that our challenging benchmark can pave the way for future agent planning research.

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to augment their knowledge, and triggering actions. In particular, workflows involving multiple agents solving complex tasks in a collaborative fashion exemplify their capacity to operate in less strict and less well-defined environments. Thus, a multi-agent approach has great potential for serving as a backbone in many industrial applications, ranging from complex knowledge retrieval systems to next generation robotic process automation. Given the reasoning abilities within the current generation of LLMs, complex processes require a multi-step approach that includes a plan of well-defined and modular tasks. Depending on the level of complexity, these tasks can be executed either by a single agent or a group of agents. In this work, we focus on designing a flexible agent engineering framework with careful attention to planning and execution, capable of handling complex use case applications across various domains. The proposed framework provides reliability in industrial applications and presents techniques to ensure a scalable, flexible, and collaborative workflow for multiple autonomous agents working together towards solving tasks.

Agentic frameworks powered by Large Language Models (LLMs) can be useful tools in scientific workflows by enabling human-AI co-creation. A key challenge is recommending the next steps during workflow creation without relying solely on LLMs, which risk hallucination and require fine-tuning with scarce proprietary data. We propose an episodic memory architecture that stores and retrieves past workflows to guide agents in suggesting plausible next tasks. By matching current workflows with historical sequences, agents can recommend steps based on prior patterns.

AI-generated content has evolved from monolithic models to modular workflows, particularly on platforms like ComfyUI, enabling customization in creative pipelines. However, crafting effective workflows requires great expertise to orchestrate numerous specialized components, presenting a steep learning curve for users. To address this challenge, we introduce ComfyUI-R1, the first large reasoning model for automated workflow generation. Starting with our curated dataset of 4K workflows, we construct long chain-of-thought (CoT) reasoning data, including node selection, workflow planning, and code-level workflow representation. ComfyUI-R1 is trained through a two-stage framework: (1) CoT fine-tuning for cold start, adapting models to the ComfyUI domain; (2) reinforcement learning for incentivizing reasoning capability, guided by a fine-grained rule-metric hybrid reward, ensuring format validity, structural integrity, and node-level fidelity. Experiments show that our 7B-parameter model achieves a 97\% format validity rate, along with high pass rate, node-level and graph-level F1 scores, significantly surpassing prior state-of-the-art methods that employ leading closed-source models such as GPT-4o and Claude series. Further analysis highlights the critical role of the reasoning process and the advantage of transforming workflows into code. Qualitative comparison reveals our strength in synthesizing intricate workflows with diverse nodes, underscoring the potential of long CoT reasoning in AI art creation.

Automating enterprise workflows could unlock $4 trillion/year in productivity gains. Despite being of interest to the data management community for decades, the ultimate vision of end-to-end workflow automation has remained elusive. Current solutions rely on process mining and robotic process automation (RPA), in which a bot is hard-coded to follow a set of predefined rules for completing a workflow. Through case studies of a hospital and large B2B enterprise, we find that the adoption of RPA has been inhibited by high set-up costs (12-18 months), unreliable execution (60% initial accuracy), and burdensome maintenance (requiring multiple FTEs). Multimodal foundation models (FMs) such as GPT-4 offer a promising new approach for end-to-end workflow automation given their generalized reasoning and planning abilities. To study these capabilities we propose ECLAIR, a system to automate enterprise workflows with minimal human supervision. We conduct initial experiments showing that multimodal FMs can address the limitations of traditional RPA with (1) near-human-level understanding of workflows (93% accuracy on a workflow understanding task) and (2) instant set-up with minimal technical barrier (based solely on a natural language description of a workflow, ECLAIR achieves end-to-end completion rates of 40%). We identify human-AI collaboration, validation, and self-improvement as open challenges, and suggest ways they can be solved with data management techniques. Code is available at: https://github.com/HazyResearch/eclair-agents

This paper introduces the Opus Prompt Intention Framework, designed to improve complex Workflow Generation with instruction-tuned Large Language Models (LLMs). We propose an intermediate Intention Capture layer between user queries and Workflow Generation, implementing the Opus Workflow Intention Framework, which consists of extracting Workflow Signals from user queries, interpreting them into structured Workflow Intention objects, and generating Workflows based on these Intentions. Our results show that this layer enables LLMs to produce logical and meaningful outputs that scale reliably as query complexity increases. On a synthetic benchmark of 1,000 multi-intent query-Workflow(s) pairs, applying the Opus Prompt Intention Framework to Workflow Generation yields consistent improvements in semantic Workflow similarity metrics. In this paper, we introduce the Opus Prompt Intention Framework by applying the concepts of Workflow Signal and Workflow Intention to LLM-driven Workflow Generation. We present a reproducible, customizable LLM-based Intention Capture system to extract Workflow Signals and Workflow Intentions from user queries. Finally, we provide empirical evidence that the proposed system significantly improves Workflow Generation quality compared to direct generation from user queries, particularly in cases of Mixed Intention Elicitation.

Critical peer review of scientific manuscripts presents a significant challenge for Large Language Models (LLMs), partly due to data limitations and the complexity of expert reasoning. This report introduces Persistent Workflow Prompting (PWP), a potentially broadly applicable prompt engineering methodology designed to bridge this gap using standard LLM chat interfaces (zero-code, no APIs). We present a proof-of-concept PWP prompt for the critical analysis of experimental chemistry manuscripts, featuring a hierarchical, modular architecture (structured via Markdown) that defines detailed analysis workflows. We develop this PWP prompt through iterative application of meta-prompting techniques and meta-reasoning aimed at systematically codifying expert review workflows, including tacit knowledge. Submitted once at the start of a session, this PWP prompt equips the LLM with persistent workflows triggered by subsequent queries, guiding modern reasoning LLMs through systematic, multimodal evaluations. Demonstrations show the PWP-guided LLM identifying major methodological flaws in a test case while mitigating LLM input bias and performing complex tasks, including distinguishing claims from evidence, integrating text/photo/figure analysis to infer parameters, executing quantitative feasibility checks, comparing estimates against claims, and assessing a priori plausibility. To ensure transparency and facilitate replication, we provide full prompts, detailed demonstration analyses, and logs of interactive chats as supplementary resources. Beyond the specific application, this work offers insights into the meta-development process itself, highlighting the potential of PWP, informed by detailed workflow formalization, to enable sophisticated analysis using readily available LLMs for complex scientific tasks.

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external tools for complex-task solving. To make sure LLM Agents follow an effective and reliable procedure to solve the given task, manually designed workflows are usually used to guide the working mechanism of agents. However, manually designing the workflows requires considerable efforts and domain knowledge, making it difficult to develop and deploy agents on massive scales. To address these issues, we propose AutoFlow, a framework designed to automatically generate workflows for agents to solve complex tasks. AutoFlow takes natural language program as the format of agent workflow and employs a workflow optimization procedure to iteratively optimize the workflow quality. Besides, this work offers two workflow generation methods: fine-tuning-based and in-context-based methods, making the AutoFlow framework applicable to both open-source and closed-source LLMs. Experimental results show that our framework can produce robust and reliable agent workflows. We believe that the automatic generation and interpretation of workflows in natural language represent a promising paradigm for solving complex tasks, particularly with the rapid development of LLMs. The source code of this work is available at https://github.com/agiresearch/AutoFlow.

The practical use of text-to-image generation has evolved from simple, monolithic models to complex workflows that combine multiple specialized components. While workflow-based approaches can lead to improved image quality, crafting effective workflows requires significant expertise, owing to the large number of available components, their complex inter-dependence, and their dependence on the generation prompt. Here, we introduce the novel task of prompt-adaptive workflow generation, where the goal is to automatically tailor a workflow to each user prompt. We propose two LLM-based approaches to tackle this task: a tuning-based method that learns from user-preference data, and a training-free method that uses the LLM to select existing flows. Both approaches lead to improved image quality when compared to monolithic models or generic, prompt-independent workflows. Our work shows that prompt-dependent flow prediction offers a new pathway to improving text-to-image generation quality, complementing existing research directions in the field.

Large Language Models (LLMs) have demonstrated effectiveness in code generation tasks. To enable LLMs to address more complex coding challenges, existing research has focused on crafting multi-agent systems with agentic workflows, where complex coding tasks are decomposed into sub-tasks, assigned to specialized agents. Despite their effectiveness, current approaches heavily rely on hand-crafted agentic workflows, with both agent topologies and prompts manually designed, which limits their ability to automatically adapt to different types of coding problems. To address these limitations and enable automated workflow design, we propose Self-Evolving Workflow (SEW), a novel self-evolving framework that automatically generates and optimises multi-agent workflows. Extensive experiments on three coding benchmark datasets, including the challenging LiveCodeBench, demonstrate that our SEW can automatically design agentic workflows and optimise them through self-evolution, bringing up to 33\% improvement on LiveCodeBench compared to using the backbone LLM only. Furthermore, by investigating different representation schemes of workflow, we provide insights into the optimal way to encode workflow information with text.

The ability of large language models (LLMs) to mimic human-like intelligence has led to a surge in LLM-based autonomous agents. Though recent LLMs seem capable of planning and reasoning given user instructions, their effectiveness in applying these capabilities for autonomous task solving remains underexplored. This is especially true in enterprise settings, where automated agents hold the promise of a high impact. To fill this gap, we propose WorkArena++, a novel benchmark consisting of 682 tasks corresponding to realistic workflows routinely performed by knowledge workers. WorkArena++ is designed to evaluate the planning, problem-solving, logical/arithmetic reasoning, retrieval, and contextual understanding abilities of web agents. Our empirical studies across state-of-the-art LLMs and vision-language models (VLMs), as well as human workers, reveal several challenges for such models to serve as useful assistants in the workplace. In addition to the benchmark, we provide a mechanism to effortlessly generate thousands of ground-truth observation/action traces, which can be used for fine-tuning existing models. Overall, we expect this work to serve as a useful resource to help the community progress toward capable autonomous agents. The benchmark can be found at https://github.com/ServiceNow/WorkArena/tree/workarena-plus-plus.

The deployment of agent systems in an enterprise environment is often hindered by several challenges: common models lack domain-specific process knowledge, leading to disorganized plans, missing key tools, and poor execution stability. To address this, this paper introduces Routine, a multi-step agent planning framework designed with a clear structure, explicit instructions, and seamless parameter passing to guide the agent's execution module in performing multi-step tool-calling tasks with high stability. In evaluations conducted within a real-world enterprise scenario, Routine significantly increases the execution accuracy in model tool calls, increasing the performance of GPT-4o from 41.1% to 96.3%, and Qwen3-14B from 32.6% to 83.3%. We further constructed a Routine-following training dataset and fine-tuned Qwen3-14B, resulting in an accuracy increase to 88.2% on scenario-specific evaluations, indicating improved adherence to execution plans. In addition, we employed Routine-based distillation to create a scenario-specific, multi-step tool-calling dataset. Fine-tuning on this distilled dataset raised the model's accuracy to 95.5%, approaching GPT-4o's performance. These results highlight Routine's effectiveness in distilling domain-specific tool-usage patterns and enhancing model adaptability to new scenarios. Our experimental results demonstrate that Routine provides a practical and accessible approach to building stable agent workflows, accelerating the deployment and adoption of agent systems in enterprise environments, and advancing the technical vision of AI for Process.

In task-oriented dialogue, a system often needs to follow a sequence of actions, called a workflow, that complies with a set of guidelines in order to complete a task. In this paper, we propose the novel problem of multi-step workflow action prediction, in which the system predicts multiple future workflow actions. Accurate prediction of multiple steps allows for multi-turn automation, which can free up time to focus on more complex tasks. We propose three modeling approaches that are simple to implement yet lead to more action automation: 1) fine-tuning on a training dataset, 2) few-shot in-context learning leveraging retrieval and large language model prompting, and 3) zero-shot graph traversal, which aggregates historical action sequences into a graph for prediction. We show that multi-step action prediction produces features that improve accuracy on downstream dialogue tasks like predicting task success, and can increase automation of steps by 20% without requiring as much feedback from a human overseeing the system.

We introduce ComfyUI-Copilot, a large language model-powered plugin designed to enhance the usability and efficiency of ComfyUI, an open-source platform for AI-driven art creation. Despite its flexibility and user-friendly interface, ComfyUI can present challenges to newcomers, including limited documentation, model misconfigurations, and the complexity of workflow design. ComfyUI-Copilot addresses these challenges by offering intelligent node and model recommendations, along with automated one-click workflow construction. At its core, the system employs a hierarchical multi-agent framework comprising a central assistant agent for task delegation and specialized worker agents for different usages, supported by our curated ComfyUI knowledge bases to streamline debugging and deployment. We validate the effectiveness of ComfyUI-Copilot through both offline quantitative evaluations and online user feedback, showing that it accurately recommends nodes and accelerates workflow development. Additionally, use cases illustrate that ComfyUI-Copilot lowers entry barriers for beginners and enhances workflow efficiency for experienced users. The ComfyUI-Copilot installation package and a demo video are available at https://github.com/AIDC-AI/ComfyUI-Copilot.

The application of large language models (LLMs) in the field of coding is evolving rapidly: from code assistants, to autonomous coding agents, and then to generating complete projects through natural language. Early LLM code benchmarks primarily focused on code generation accuracy, but these benchmarks have gradually become saturated. Benchmark saturation weakens their guiding role for LLMs. For example, HumanEval Pass@1 has reached 99.4% and MBPP 94.2%. Among various attempts to address benchmark saturation, approaches based on software engineering have stood out, but the saturation of existing software engineering benchmarks is rapidly increasing. To address this, we propose a new benchmark, Web-Bench, which contains 50 projects, each consisting of 20 tasks with sequential dependencies. The tasks implement project features in sequence, simulating real-world human development workflows. When designing Web-Bench, we aim to cover the foundational elements of Web development: Web Standards and Web Frameworks. Given the scale and complexity of these projects, which were designed by engineers with 5 to 10 years of experience, each presents a significant challenge. On average, a single project takes 4 to 8 hours for a senior engineer to complete. On our given benchmark agent (Web-Agent), SOTA (Claude 3.7 Sonnet) achieves only 25.1% Pass@1, significantly lower (better) than SWE-Bench's Verified (65.4%) and Full (33.8%) scores. Finally, we discuss that in any development field, Standards and Frameworks represent foundational knowledge and efficiency tools, respectively, and LLMs require optimization tailored to them.

Enterprise Resource Planning (ERP) systems serve as the digital backbone of modern financial institutions, yet they continue to rely on static, rule-based workflows that limit adaptability, scalability, and intelligence. As business operations grow more complex and data-rich, conventional ERP platforms struggle to integrate structured and unstructured data in real time and to accommodate dynamic, cross-functional workflows. In this paper, we present the first AI-native, agent-based framework for ERP systems, introducing a novel architecture of Generative Business Process AI Agents (GBPAs) that bring autonomy, reasoning, and dynamic optimization to enterprise workflows. The proposed system integrates generative AI with business process modeling and multi-agent orchestration, enabling end-to-end automation of complex tasks such as budget planning, financial reporting, and wire transfer processing. Unlike traditional workflow engines, GBPAs interpret user intent, synthesize workflows in real time, and coordinate specialized sub-agents for modular task execution. We validate the framework through case studies in bank wire transfers and employee reimbursements, two representative financial workflows with distinct complexity and data modalities. Results show that GBPAs achieve up to 40% reduction in processing time, 94% drop in error rate, and improved regulatory compliance by enabling parallelism, risk control insertion, and semantic reasoning. These findings highlight the potential of GBPAs to bridge the gap between generative AI capabilities and enterprise-grade automation, laying the groundwork for the next generation of intelligent ERP systems.

Recent multi-agent frameworks built upon large language models (LLMs) have demonstrated remarkable capabilities in complex task planning. However, in real-world enterprise environments, business workflows are typically composed through modularization and reuse of numerous subprocesses, resulting in intricate workflows characterized by lengthy and deeply nested execution paths. Such complexity poses significant challenges for LLM-driven orchestration, as extended reasoning chains and state-space explosions severely impact planning effectiveness and the proper sequencing of tool invocations. Therefore, developing an orchestration method with controllable structures capable of handling multi-layer nesting becomes a critical issue. To address this, we propose a novel structure-driven orchestration framework Self-Organizing Agent Network (SOAN). SOAN incrementally builds a formalized agent network by identifying and encapsulating structural units as independent agents, enhancing modularity and clarity in orchestration. Extensive evaluations were performed using multiple benchmarks as well as a real-world enterprise workflow dataset. Experimental results demonstrate that SOAN significantly outperforms state-of-the-art methods in terms of adaptability, fault tolerance, and execution efficiency.

As unmanned aircraft systems (UASs) continue to integrate into the U.S. National Airspace System (NAS), there is a need to quantify the risk of airborne collisions between unmanned and manned aircraft to support regulation and standards development. Developing and certifying collision avoidance systems often rely on the extensive use of Monte Carlo collision risk analysis simulations using probabilistic models of aircraft flight. To train these models, high performance computing resources are required. We've prototyped a high performance computing workflow designed and deployed on the Lincoln Laboratory Supercomputing Center to process billions of observations of aircraft. However, the prototype has various computational and storage bottlenecks that limited rapid or more comprehensive analyses and models. In response, we have developed a novel workflow to take advantage of various job launch and task distribution technologies to improve performance. The workflow was benchmarked using two datasets of observations of aircraft, including a new dataset focused on the environment around aerodromes. Optimizing how the workflow was parallelized drastically reduced the execution time from weeks to days.

As AI continues to advance, there is a growing demand for systems that go beyond language-based assistance and move toward intelligent agents capable of performing real-world actions. This evolution requires the transition from traditional Large Language Models (LLMs), which excel at generating textual responses, to Large Action Models (LAMs), designed for action generation and execution within dynamic environments. Enabled by agent systems, LAMs hold the potential to transform AI from passive language understanding to active task completion, marking a significant milestone in the progression toward artificial general intelligence. In this paper, we present a comprehensive framework for developing LAMs, offering a systematic approach to their creation, from inception to deployment. We begin with an overview of LAMs, highlighting their unique characteristics and delineating their differences from LLMs. Using a Windows OS-based agent as a case study, we provide a detailed, step-by-step guide on the key stages of LAM development, including data collection, model training, environment integration, grounding, and evaluation. This generalizable workflow can serve as a blueprint for creating functional LAMs in various application domains. We conclude by identifying the current limitations of LAMs and discussing directions for future research and industrial deployment, emphasizing the challenges and opportunities that lie ahead in realizing the full potential of LAMs in real-world applications. The code for the data collection process utilized in this paper is publicly available at: https://github.com/microsoft/UFO/tree/main/dataflow, and comprehensive documentation can be found at https://microsoft.github.io/UFO/dataflow/overview/.

Data science tasks involving tabular data present complex challenges that require sophisticated problem-solving approaches. We propose AutoKaggle, a powerful and user-centric framework that assists data scientists in completing daily data pipelines through a collaborative multi-agent system. AutoKaggle implements an iterative development process that combines code execution, debugging, and comprehensive unit testing to ensure code correctness and logic consistency. The framework offers highly customizable workflows, allowing users to intervene at each phase, thus integrating automated intelligence with human expertise. Our universal data science toolkit, comprising validated functions for data cleaning, feature engineering, and modeling, forms the foundation of this solution, enhancing productivity by streamlining common tasks. We selected 8 Kaggle competitions to simulate data processing workflows in real-world application scenarios. Evaluation results demonstrate that AutoKaggle achieves a validation submission rate of 0.85 and a comprehensive score of 0.82 in typical data science pipelines, fully proving its effectiveness and practicality in handling complex data science tasks.

Automatic research with Large Language Models (LLMs) is rapidly gaining importance, driving the development of increasingly complex workflows involving multi-agent systems, planning, tool usage, code execution, and human-agent interaction to accelerate research processes. However, as more researchers and developers begin to use and build upon these tools and platforms, the complexity and difficulty of extending and maintaining such agentic workflows have become a significant challenge, particularly as algorithms and architectures continue to advance. To address this growing complexity, TinyScientist identifies the essential components of the automatic research workflow and proposes an interactive, extensible, and controllable framework that easily adapts to new tools and supports iterative growth. We provide an open-source codebase, an interactive web demonstration, and a PyPI Python package to make state-of-the-art auto-research pipelines broadly accessible to every researcher and developer.

This paper introduces Workflow Intention, a novel framework for identifying and encoding process objectives within complex business environments. Workflow Intention is the alignment of Input, Process and Output elements defining a Workflow's transformation objective interpreted from Workflow Signal inside Business Artefacts. It specifies how Input is processed to achieve desired Output, incorporating quality standards, business rules, compliance requirements and constraints. We adopt an end-to-end Business Artefact Encoder and Workflow Signal interpretation methodology involving four steps: Modality-Specific Encoding, Intra-Modality Attention, Inter-Modality Fusion Attention then Intention Decoding. We provide training procedures and critical loss function definitions. In this paper we introduce the concepts of Workflow Signal and Workflow Intention, where Workflow Signal decomposed into Input, Process and Output elements is interpreted from Business Artefacts, and Workflow Intention is a complete triple of these elements. We introduce a mathematical framework for representing Workflow Signal as a vector and Workflow Intention as a tensor, formalizing properties of these objects. Finally, we propose a modular, scalable, trainable, attention-based multimodal generative system to resolve Workflow Intention from Business Artefacts.

Despite the potential of language model-based agents to solve real-world tasks such as web navigation, current methods still struggle with long-horizon tasks with complex action trajectories. In contrast, humans can flexibly solve complex tasks by learning reusable task workflows from past experiences and using them to guide future actions. To build agents that can similarly benefit from this process, we introduce Agent Workflow Memory (AWM), a method for inducing commonly reused routines, i.e., workflows, and selectively providing workflows to the agent to guide subsequent generations. AWM flexibly applies to both offline and online scenarios, where agents induce workflows from training examples beforehand or from test queries on the fly. We experiment on two major web navigation benchmarks -- Mind2Web and WebArena -- that collectively cover 1000+ tasks from 200+ domains across travel, shopping, and social media, among others. AWM substantially improves the baseline results by 24.6% and 51.1% relative success rate on Mind2Web and WebArena while reducing the number of steps taken to solve WebArena tasks successfully. Furthermore, online AWM robustly generalizes in cross-task, website, and domain evaluations, surpassing baselines from 8.9 to 14.0 absolute points as train-test task distribution gaps widen.

Large Language Model (LLM)-powered agents have unlocked new possibilities for automating human tasks. While prior work has focused on well-defined tasks with specified goals, the capabilities of agents in creative design tasks with open-ended goals remain underexplored. We introduce GraphicBench, a new planning benchmark for graphic design that covers 1,079 user queries and input images across four design types. We further present GraphicTown, an LLM agent framework with three design experts and 46 actions (tools) to choose from for executing each step of the planned workflows in web environments. Experiments with six LLMs demonstrate their ability to generate workflows that integrate both explicit design constraints from user queries and implicit commonsense constraints. However, these workflows often do not lead to successful execution outcomes, primarily due to challenges in: (1) reasoning about spatial relationships, (2) coordinating global dependencies across experts, and (3) retrieving the most appropriate action per step. We envision GraphicBench as a challenging yet valuable testbed for advancing LLM-agent planning and execution in creative design tasks.

The increasing adoption of agentic workflows across diverse domains brings a critical need to scalably and systematically evaluate the complex traces these systems generate. Current evaluation methods depend on manual, domain-specific human analysis of lengthy workflow traces - an approach that does not scale with the growing complexity and volume of agentic outputs. Error analysis in these settings is further complicated by the interplay of external tool outputs and language model reasoning, making it more challenging than traditional software debugging. In this work, we (1) articulate the need for robust and dynamic evaluation methods for agentic workflow traces, (2) introduce a formal taxonomy of error types encountered in agentic systems, and (3) present a set of 148 large human-annotated traces (TRAIL) constructed using this taxonomy and grounded in established agentic benchmarks. To ensure ecological validity, we curate traces from both single and multi-agent systems, focusing on real-world applications such as software engineering and open-world information retrieval. Our evaluations reveal that modern long context LLMs perform poorly at trace debugging, with the best Gemini-2.5-pro model scoring a mere 11% on TRAIL. Our dataset and code are made publicly available to support and accelerate future research in scalable evaluation for agentic workflows.

Large Language Models (LLMs) and other foundation models are increasingly used as the core of AI agents. In agentic workflows, these agents plan tasks, interact with humans and peers, and influence scientific outcomes across federated and heterogeneous environments. However, agents can hallucinate or reason incorrectly, propagating errors when one agent's output becomes another's input. Thus, assuring that agents' actions are transparent, traceable, reproducible, and reliable is critical to assess hallucination risks and mitigate their workflow impacts. While provenance techniques have long supported these principles, existing methods fail to capture and relate agent-centric metadata such as prompts, responses, and decisions with the broader workflow context and downstream outcomes. In this paper, we introduce PROV-AGENT, a provenance model that extends W3C PROV and leverages the Model Context Protocol (MCP) and data observability to integrate agent interactions into end-to-end workflow provenance. Our contributions include: (1) a provenance model tailored for agentic workflows, (2) a near real-time, open-source system for capturing agentic provenance, and (3) a cross-facility evaluation spanning edge, cloud, and HPC environments, demonstrating support for critical provenance queries and agent reliability analysis.

Scientific innovation relies on detailed workflows, which include critical steps such as analyzing literature, generating ideas, validating these ideas, interpreting results, and inspiring follow-up research. However, scientific publications that document these workflows are extensive and unstructured. This makes it difficult for both human researchers and AI systems to effectively navigate and explore the space of scientific innovation. To address this issue, we introduce MASSW, a comprehensive text dataset on Multi-Aspect Summarization of Scientific Workflows. MASSW includes more than 152,000 peer-reviewed publications from 17 leading computer science conferences spanning the past 50 years. Using Large Language Models (LLMs), we automatically extract five core aspects from these publications -- context, key idea, method, outcome, and projected impact -- which correspond to five key steps in the research workflow. These structured summaries facilitate a variety of downstream tasks and analyses. The quality of the LLM-extracted summaries is validated by comparing them with human annotations. We demonstrate the utility of MASSW through multiple novel machine-learning tasks that can be benchmarked using this new dataset, which make various types of predictions and recommendations along the scientific workflow. MASSW holds significant potential for researchers to create and benchmark new AI methods for optimizing scientific workflows and fostering scientific innovation in the field. Our dataset is openly available at https://github.com/xingjian-zhang/massw.

Foundation models (FMs), particularly large language models (LLMs), have shown significant promise in various software engineering (SE) tasks, including code generation, debugging, and requirement refinement. Despite these advances, existing evaluation frameworks are insufficient for assessing model performance in iterative, context-rich workflows characteristic of SE activities. To address this limitation, we introduce SE Arena, an interactive platform designed to evaluate SE-focused chatbots. SE Arena provides a transparent, open-source leaderboard, supports multi-round conversational workflows, and enables end-to-end model comparisons. Moreover, SE Arena incorporates a new feature called RepoChat, which automatically injects repository-related context (e.g., issues, commits, pull requests) into the conversation, further aligning evaluations with real-world development processes. This paper outlines the design and capabilities of SE Arena, emphasizing its potential to advance the evaluation and practical application of FMs in software engineering.

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on interdisciplinary knowledge. However, existing medical agent systems often rely on static, manually crafted workflows that lack the flexibility to accommodate diverse diagnostic requirements and adapt to emerging clinical scenarios. Motivated by the success of automated machine learning (AutoML), this paper introduces a novel framework for the automated design of medical agent architectures. Specifically, we define a hierarchical and expressive agent search space that enables dynamic workflow adaptation through structured modifications at the node, structural, and framework levels. Our framework conceptualizes medical agents as graph-based architectures composed of diverse, functional node types and supports iterative self-improvement guided by diagnostic feedback. Experimental results on skin disease diagnosis tasks demonstrate that the proposed method effectively evolves workflow structures and significantly enhances diagnostic accuracy over time. This work represents the first fully automated framework for medical agent architecture design and offers a scalable, adaptable foundation for deploying intelligent agents in real-world clinical environments.

The Dragonfly network, with its high-radix and low-diameter structure, is a leading interconnect in high-performance computing. A major challenge is workload interference on shared network links. Parallel discrete event simulation (PDES) is commonly used to analyze workload interference. However, high-fidelity PDES is computationally expensive, making it impractical for large-scale or real-time scenarios. Hybrid simulation that incorporates data-driven surrogate models offers a promising alternative, especially for forecasting application runtime, a task complicated by the dynamic behavior of network traffic. We present \ourmodel, a surrogate model that combines graph neural networks (GNNs) and large language models (LLMs) to capture both spatial and temporal patterns from port level router data. \ourmodel outperforms existing statistical and machine learning baselines, enabling accurate runtime prediction and supporting efficient hybrid simulation of Dragonfly networks.

Agentic workflows -- where multiple large language model (LLM) instances interact to solve tasks -- are increasingly built on feedback mechanisms, where one model evaluates and critiques another. Despite the promise of feedback-driven improvement, the stability of agentic workflows rests on the reliability of the judge. However, judges may hallucinate information, exhibit bias, or act adversarially -- introducing critical vulnerabilities into the workflow. In this work, we present a systematic analysis of agentic workflows under deceptive or misleading feedback. We introduce a two-dimensional framework for analyzing judge behavior, along axes of intent (from constructive to malicious) and knowledge (from parametric-only to retrieval-augmented systems). Using this taxonomy, we construct a suite of judge behaviors and develop WAFER-QA, a new benchmark with critiques grounded in retrieved web evidence to evaluate robustness of agentic workflows against factually supported adversarial feedback. We reveal that even strongest agents are vulnerable to persuasive yet flawed critiques -- often switching correct answers after a single round of misleading feedback. Taking a step further, we study how model predictions evolve over multiple rounds of interaction, revealing distinct behavioral patterns between reasoning and non-reasoning models. Our findings highlight fundamental vulnerabilities in feedback-based workflows and offer guidance for building more robust agentic systems.

This paper investigates the rationality of large language models (LLMs) in strategic decision-making contexts, specifically within the framework of game theory. We evaluate several state-of-the-art LLMs across a spectrum of complete-information and incomplete-information games. Our findings reveal that LLMs frequently deviate from rational strategies, particularly as the complexity of the game increases with larger payoff matrices or deeper sequential trees. To address these limitations, we design multiple game-theoretic workflows that guide the reasoning and decision-making processes of LLMs. These workflows aim to enhance the models' ability to compute Nash Equilibria and make rational choices, even under conditions of uncertainty and incomplete information. Experimental results demonstrate that the adoption of these workflows significantly improves the rationality and robustness of LLMs in game-theoretic tasks. Specifically, with the workflow, LLMs exhibit marked improvements in identifying optimal strategies, achieving near-optimal allocations in negotiation scenarios, and reducing susceptibility to exploitation during negotiations. Furthermore, we explore the meta-strategic considerations of whether it is rational for agents to adopt such workflows, recognizing that the decision to use or forgo the workflow constitutes a game-theoretic issue in itself. Our research contributes to a deeper understanding of LLMs' decision-making capabilities in strategic contexts and provides insights into enhancing their rationality through structured workflows. The findings have implications for the development of more robust and strategically sound AI agents capable of navigating complex interactive environments. Code and data supporting this study are available at https://github.com/Wenyueh/game_theory.

We study the use of large language model-based agents for interacting with software via web browsers. Unlike prior work, we focus on measuring the agents' ability to perform tasks that span the typical daily work of knowledge workers utilizing enterprise software systems. To this end, we propose WorkArena, a remote-hosted benchmark of 29 tasks based on the widely-used ServiceNow platform. We also introduce BrowserGym, an environment for the design and evaluation of such agents, offering a rich set of actions as well as multimodal observations. Our empirical evaluation reveals that while current agents show promise on WorkArena, there remains a considerable gap towards achieving full task automation. Notably, our analysis uncovers a significant performance disparity between open and closed-source LLMs, highlighting a critical area for future exploration and development in the field.

This paper presents BPMN Assistant, a tool that leverages Large Language Models (LLMs) for natural language-based creation and editing of BPMN diagrams. A specialized JSON-based representation is introduced as a structured alternative to the direct handling of XML to enhance the accuracy of process modifications. Process generation quality is evaluated using Graph Edit Distance (GED) and Relative Graph Edit Distance (RGED), while editing performance is evaluated with a binary success metric. Results show that JSON and XML achieve similar similarity scores in generation, but JSON offers greater reliability, faster processing, and significantly higher editing success rates. We discuss key trade-offs, limitations, and future improvements. The implementation is available at https://github.com/jtlicardo/bpmn-assistant.

Recent developments, particularly OpenAI's O1 model, have demonstrated the remarkable potential of Large Language Models (LLMs) for complex reasoning tasks. Through analysis of O1's outputs and provided sample Chain-of-Thought (CoT) demonstrations, we observe that it approaches problem-solving in a distinctly human-like manner, systematically brainstorming ideas, testing hypotheses, verifying results, and planning comprehensive solutions. These sophisticated reasoning capabilities remain notably absent in other state-of-the-art language models. In this paper, we hypothesize that this performance gap stems from the limited availability of high-quality reasoning process data in current training sets. We demonstrate that by constructing a specialized dataset focused on explicit problem-solving workflows ("worked solutions"), we can elicit substantially improved planning capabilities from existing models. Additionally, we propose the Reasoning Enhancement Loop (REL), a method for generating synthetic worked solutions.

The automated generation of agentic workflows is a promising frontier for enabling large language models (LLMs) to solve complex tasks. However, our investigation reveals that the robustness of agentic workflow remains a critical, unaddressed challenge. Current methods often generate wildly inconsistent workflows when provided with instructions that are semantically identical but differently phrased. This brittleness severely undermines their reliability and trustworthiness for real-world applications. To quantitatively diagnose this instability, we propose metrics based on nodal and topological similarity to evaluate workflow consistency against common semantic variations such as paraphrasing and noise injection. Subsequently, we further propose a novel training framework, RobustFlow, that leverages preference optimization to teach models invariance to instruction variations. By training on sets of synonymous task descriptions, RobustFlow boosts workflow robustness scores to 70\% - 90\%, which is a substantial improvement over existing approaches. The code is publicly available at https://github.com/DEFENSE-SEU/RobustFlow.

Reinforcement learning (RL) agents improve through trial-and-error, but when reward is sparse and the agent cannot discover successful action sequences, learning stagnates. This has been a notable problem in training deep RL agents to perform web-based tasks, such as booking flights or replying to emails, where a single mistake can ruin the entire sequence of actions. A common remedy is to "warm-start" the agent by pre-training it to mimic expert demonstrations, but this is prone to overfitting. Instead, we propose to constrain exploration using demonstrations. From each demonstration, we induce high-level "workflows" which constrain the allowable actions at each time step to be similar to those in the demonstration (e.g., "Step 1: click on a textbox; Step 2: enter some text"). Our exploration policy then learns to identify successful workflows and samples actions that satisfy these workflows. Workflows prune out bad exploration directions and accelerate the agent's ability to discover rewards. We use our approach to train a novel neural policy designed to handle the semi-structured nature of websites, and evaluate on a suite of web tasks, including the recent World of Bits benchmark. We achieve new state-of-the-art results, and show that workflow-guided exploration improves sample efficiency over behavioral cloning by more than 100x.

Agentic workflows, where multiple AI agents collaborate to accomplish complex tasks like reasoning or planning, are becoming increasingly prevalent. However, these workflows often suffer from error propagation and sub-optimal performance, largely due to poorly designed prompts that fail to effectively guide individual agents. This is a critical problem because it limits the reliability and scalability of these powerful systems. We introduce ProRefine, an innovative inference-time prompt optimization method that leverages textual feedback from large language models (LLMs) to address this challenge. ProRefine dynamically refines prompts for multi-step reasoning tasks without additional training or ground truth labels. Evaluated on five benchmark mathematical reasoning datasets, ProRefine significantly surpasses zero-shot Chain-of-Thought baselines by 3 to 37 percentage points. This approach not only boosts accuracy but also allows smaller models to match the performance of larger ones, highlighting its potential for efficient and scalable AI deployment, and democratizing access to high-performing AI.

Vision-Language-Action models (VLAs) mark a major shift in robot learning. They replace specialized architectures and task-tailored components of expert policies with large-scale data collection and setup-specific fine-tuning. In this machine learning-focused workflow that is centered around models and scalable training, traditional robotics software frameworks become a bottleneck, while robot simulations offer only limited support for transitioning from and to real-world experiments. In this work, we close this gap by introducing Robot Control Stack (RCS), a lean ecosystem designed from the ground up to support research in robot learning with large-scale generalist policies. At its core, RCS features a modular and easily extensible layered architecture with a unified interface for simulated and physical robots, facilitating sim-to-real transfer. Despite its minimal footprint and dependencies, it offers a complete feature set, enabling both real-world experiments and large-scale training in simulation. Our contribution is twofold: First, we introduce the architecture of RCS and explain its design principles. Second, we evaluate its usability and performance along the development cycle of VLA and RL policies. Our experiments also provide an extensive evaluation of Octo, OpenVLA, and Pi Zero on multiple robots and shed light on how simulation data can improve real-world policy performance. Our code, datasets, weights, and videos are available at: https://robotcontrolstack.github.io/

Large Language Models (LLMs) are increasingly helpful in text generation, even writing code in programming languages based on user prompts written in natural language. They are even applied to generate simulation models for multibody systems from natural language. Research results suggest that LLMs surpass the mere replication of existing code examples, where some LLMs have been trained on an open-source multibody simulation code. However, for closed-source simulation software, such results are not to be expected as their ideas and concepts might differ from other publicly available ones. LLMs can hallucinate for knowledge-intensive tasks, such as model creation, which can lead to wrong responses. This is especially the case for the LLM unknown closed-source simulation software. The same applies to other internal knowledge kept private to protect intellectual property or data privacy. The Retrieval-Augmented Generation (RAG) approach might yield a solution for these knowledge-intensive tasks. This paper explores the application of RAG to closed-source simulation software and presents first experiments. After a brief introduction to LLMs, the RAG approach, and the simulation method applied by the close-source simulation software, several examples are provided to test LLMs' knowledge of the simulation software and the creation of simulation models using two RAG systems. The examples show promising results indicating the benefits of applying RAG systems to closed-source simulation software, helping to access their knowledge. Nevertheless, they also reveal gaps in the applied information and open questions for further research.

While current Computer Use Agent (CUA) benchmarks measure task completion effectively, they provide limited assessment of enterprise deployment readiness, emphasizing functional correctness over the operational reliability required for production systems. We present UI-CUBE (UiPath Computer Use BEnchmark), a systematic benchmark comprising 226 tasks across two difficulty tiers designed to expose fundamental architectural limitations in current CUAs. Our evaluation covers simple UI interactions (136 tasks) and complex workflows including copy-paste tasks (50 tasks) and enterprise application scenarios (40 tasks), with systematic interface variation coverage, multi-resolution testing and automated validation of task success through the application state. Evaluation of five state-of-the-art models reveals a sharp capability cliff rather than gradual performance degradation. Simple UI interactions achieve 67-85% success rates (compared to 97.9% human performance), but complex workflows drop precipitously to 9-19%. Human evaluators with no prior application experience achieve only 61.2% on complex tasks despite near-perfect performance on simple tasks, establishing realistic performance ceilings. This discontinuous performance pattern -- where agents achieve 68-87% of human performance on simple tasks but only 15-32% on complex workflows -- indicates fundamental architectural limitations in memory management, hierarchical planning, and state coordination rather than incremental capability gaps addressable through better training or prompting. UI-CUBE functions as an enterprise-readiness diagnostic, revealing that while current CUAs can manipulate individual interface elements, they cannot yet function as reliable workflow automation tools. These findings provide architectural insights essential for developing production-ready CUAs capable of managing complex, multi-step enterprise processes.

Large language model (LLM) agents have demonstrated strong capabilities across diverse domains. However, designing high-performing agentic systems remains challenging. Existing agent search methods suffer from three major limitations: (1) an emphasis on optimizing agentic workflows while under-utilizing proven human-designed components such as memory, planning, and tool use; (2) high evaluation costs, as each newly generated agent must be fully evaluated on benchmarks; and (3) inefficient search in large search space. In this work, we introduce a comprehensive framework to address these challenges. First, We propose a hierarchical search space that jointly models agentic workflow and composable functional components, enabling richer agentic system designs. Building on this structured design space, we introduce a predictive value model that estimates agent performance given agentic system and task description, allowing for efficient, low-cost evaluation during the search process. Finally, we present a hierarchical Monte Carlo Tree Search (MCTS) strategy informed by uncertainty to guide the search. Experiments on seven benchmarks, covering embodied, math, web, tool, and game, show that our method achieves an average performance gain of 8.34\% over state-of-the-art baselines and exhibits faster search progress with steeper improvement trajectories. Code repo is available at https://github.com/Ericccc02/AgentSwift.

AI scientist systems, capable of autonomously executing the full research workflow from hypothesis generation and experimentation to paper writing, hold significant potential for accelerating scientific discovery. However, the internal workflow of these systems have not been closely examined. This lack of scrutiny poses a risk of introducing flaws that could undermine the integrity, reliability, and trustworthiness of their research outputs. In this paper, we identify four potential failure modes in contemporary AI scientist systems: inappropriate benchmark selection, data leakage, metric misuse, and post-hoc selection bias. To examine these risks, we design controlled experiments that isolate each failure mode while addressing challenges unique to evaluating AI scientist systems. Our assessment of two prominent open-source AI scientist systems reveals the presence of several failures, across a spectrum of severity, which can be easily overlooked in practice. Finally, we demonstrate that access to trace logs and code from the full automated workflow enables far more effective detection of such failures than examining the final paper alone. We thus recommend journals and conferences evaluating AI-generated research to mandate submission of these artifacts alongside the paper to ensure transparency, accountability, and reproducibility.

Large language models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks when equipped with external tools. However, current frameworks predominantly rely on sequential processing, leading to inefficient execution particularly for tasks requiring extensive tool interaction. This paper introduces Flash-Searcher, a novel parallel agent reasoning framework that fundamentally reimagines the execution paradigm from sequential chains to directed acyclic graphs (DAGs). Flash-Searcher decomposes complex tasks into subtasks with explicit dependencies, enabling concurrent execution of independent reasoning paths while maintaining logical constraints. Through dynamic workflow optimization, our framework continuously refines the execution graph based on intermediate results, effectively integrating summary module. Comprehensive evaluations across multiple benchmarks demonstrate that Flash-Searcher consistently outperforms existing approaches. Specifically, it achieves 67.7% accuracy on BrowseComp and 83% on xbench-DeepSearch, while reducing agent execution steps by up to 35% compared to current frameworks. Furthermore, when distilling this parallel reasoning pipeline into single models, we observe substantial performance gains across diverse backbone architectures, underscoring the generalizability of our methodology. Our work thus represents a significant advance in agent architecture design, offering a more scalable and efficient paradigm for complex reasoning tasks.

Translating natural language to SQL remains difficult for complex queries. Such queries often need environmental interaction and self-correction. To address this, we introduce MARS-SQL, a novel multi-agent framework that combines principled task decomposition and interactive reinforcement learning (RL). Our system comprises three specialized agents: a Grounding Agent for schema linking, a Generation Agent for query generation, and a Validation Agent for final selection. The core of our framework is the Generation agent, which is trained via a multi-turn RL policy. Adopting a ReAct-style Think-Act-Observe loop, the agent iteratively generates thoughts, executes SQL actions against a live database, and revises its strategy based on execution feedback, enabling dynamic, stateful reasoning and self-correction. At inference time, we generate multiple interaction trajectories to explore diverse reasoning paths. The Validation agent, then selects the optimal trajectory by modeling verification as a next-token prediction task and choosing the solution with the highest generation probability. This structured workflow pipelines specialized agents. It combines interactive RL for generation with generative modeling for verification. The approach proves highly effective for robust and accurate SQL generation. Experiments show that MARS-SQL achieves state-of-the-art Execution Accuracy of 77.84% on the BIRD dev set and 89.75% on the Spider test set. Our code is available at https://github.com/YangHaolin0526/MARS-SQL.

Leveraging large language models (LLMs), autonomous agents have significantly improved, gaining the ability to handle a variety of tasks. In open-ended settings, optimizing collaboration for efficiency and effectiveness demands flexible adjustments. Despite this, current research mainly emphasizes fixed, task-oriented workflows and overlooks agent-centric organizational structures. Drawing inspiration from human organizational behavior, we introduce a self-organizing agent system (S-Agents) with a "tree of agents" structure for dynamic workflow, an "hourglass agent architecture" for balancing information priorities, and a "non-obstructive collaboration" method to allow asynchronous task execution among agents. This structure can autonomously coordinate a group of agents, efficiently addressing the challenges of an open and dynamic environment without human intervention. Our experiments demonstrate that S-Agents proficiently execute collaborative building tasks and resource collection in the Minecraft environment, validating their effectiveness.

Effective incident management in large-scale IT systems relies on troubleshooting guides (TSGs), but their manual execution is slow and error-prone. While recent advances in LLMs offer promise for automating incident management tasks, existing LLM-based solutions lack specialized support for several key challenges, including managing TSG quality issues, interpreting complex control flow, handling data-intensive queries, and exploiting execution parallelism. We first conducted an empirical study on 92 real-world TSGs, and, guided by our findings, we present StepFly, a novel end-to-end agentic framework for troubleshooting guide automation. Our approach features a three-stage workflow: the first stage provides a comprehensive guide together with a tool, TSG Mentor, to assist SREs in improving TSG quality; the second stage performs offline preprocessing using LLMs to extract structured execution DAGs from unstructured TSGs and to create dedicated Query Preparation Plugins (QPPs); and the third stage executes online using a DAG-guided scheduler-executor framework with a memory system to guarantee correct workflow and support parallel execution of independent steps. Our empirical evaluation on a collection of real-world TSGs and incidents demonstrates that StepFly achieves a ~94% success rate on GPT-4.1, outperforming baselines with less time and token consumption. Furthermore, it achieves a remarkable execution time reduction of 32.9% to 70.4% for parallelizable TSGs.

From ancient water wheels to robotic process automation (RPA), automation technology has evolved throughout history to liberate human beings from arduous tasks. Yet, RPA struggles with tasks needing human-like intelligence, especially in elaborate design of workflow construction and dynamic decision-making in workflow execution. As Large Language Models (LLMs) have emerged human-like intelligence, this paper introduces Agentic Process Automation (APA), a groundbreaking automation paradigm using LLM-based agents for advanced automation by offloading the human labor to agents associated with construction and execution. We then instantiate ProAgent, an LLM-based agent designed to craft workflows from human instructions and make intricate decisions by coordinating specialized agents. Empirical experiments are conducted to detail its construction and execution procedure of workflow, showcasing the feasibility of APA, unveiling the possibility of a new paradigm of automation driven by agents. Our code is public at https://github.com/OpenBMB/ProAgent.

As large language models (LLMs) advance, the ultimate vision for their role in science is emerging: we could build an AI collaborator to effectively assist human beings throughout the entire scientific research process. We refer to this envisioned system as ResearchGPT. Given that scientific research progresses through multiple interdependent phases, achieving this vision requires rigorous benchmarks that evaluate the end-to-end workflow rather than isolated sub-tasks. To this end, we contribute CS-54k, a high-quality corpus of scientific Q&A pairs in computer science, built from 14k CC-licensed papers. It is constructed through a scalable, paper-grounded pipeline that combines retrieval-augmented generation (RAG) with multi-stage quality control to ensure factual grounding. From this unified corpus, we derive two complementary subsets: CS-4k, a carefully curated benchmark for evaluating AI's ability to assist scientific research, and CS-50k, a large-scale training dataset. Extensive experiments demonstrate that CS-4k stratifies state-of-the-art LLMs into distinct capability tiers. Open models trained on CS-50k with supervised training and reinforcement learning demonstrate substantial improvements. Even 7B-scale models, when properly trained, outperform many larger proprietary systems, such as GPT-4.1, GPT-4o, and Gemini 2.5 Pro. This indicates that making AI models better research assistants relies more on domain-aligned training with high-quality data than on pretraining scale or general benchmark performance. We release CS-4k and CS-50k in the hope of fostering AI systems as reliable collaborators in CS research.

With the rapid advancement of generative models, general-purpose generation has gained increasing attention as a promising approach to unify diverse tasks across modalities within a single system. Despite this progress, existing open-source frameworks often remain fragile and struggle to support complex real-world applications due to the lack of structured workflow planning and execution-level feedback. To address these limitations, we present ComfyMind, a collaborative AI system designed to enable robust and scalable general-purpose generation, built on the ComfyUI platform. ComfyMind introduces two core innovations: Semantic Workflow Interface (SWI) that abstracts low-level node graphs into callable functional modules described in natural language, enabling high-level composition and reducing structural errors; Search Tree Planning mechanism with localized feedback execution, which models generation as a hierarchical decision process and allows adaptive correction at each stage. Together, these components improve the stability and flexibility of complex generative workflows. We evaluate ComfyMind on three public benchmarks: ComfyBench, GenEval, and Reason-Edit, which span generation, editing, and reasoning tasks. Results show that ComfyMind consistently outperforms existing open-source baselines and achieves performance comparable to GPT-Image-1. ComfyMind paves a promising path for the development of open-source general-purpose generative AI systems. Project page: https://github.com/LitaoGuo/ComfyMind

Large Language Models (LLMs) are distinguished by their architecture, which dictates their parameter size and performance capabilities. Social scientists have increasingly adopted LLMs for text classification tasks, which are difficult to scale with human coders. While very large, closed-source models often deliver superior performance, their use presents significant risks. These include lack of transparency, potential exposure of sensitive data, challenges to replicability, and dependence on proprietary systems. Additionally, their high costs make them impractical for large-scale research projects. In contrast, open-source models, although available in various sizes, may underperform compared to commercial alternatives if used without further fine-tuning. However, open-source models offer distinct advantages: they can be run locally (ensuring data privacy), fine-tuned for specific tasks, shared within the research community, and integrated into reproducible workflows. This study demonstrates that small, fine-tuned open-source LLMs can achieve equal or superior performance to models such as ChatGPT-4. We further explore the relationship between training set size and fine-tuning efficacy in open-source models. Finally, we propose a hybrid workflow that leverages the strengths of both open and closed models, offering a balanced approach to performance, transparency, and reproducibility.

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs. Despite the availability of methods to automate the design of agentic workflows, they typically seek to identify a static, complex, one-size-fits-all system, which, however, fails to dynamically allocate inference resources based on the difficulty and domain of each query. To address this challenge, we shift away from the pursuit of a monolithic agentic system, instead optimizing the agentic supernet, a probabilistic and continuous distribution of agentic architectures. We introduce MaAS, an automated framework that samples query-dependent agentic systems from the supernet, delivering high-quality solutions and tailored resource allocation (e.g., LLM calls, tool calls, token cost). Comprehensive evaluation across six benchmarks demonstrates that MaAS (I) requires only 6sim45% of the inference costs of existing handcrafted or automated multi-agent systems, (II) surpasses them by 0.54%sim11.82%, and (III) enjoys superior cross-dataset and cross-LLM-backbone transferability.

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific discovery progress across multiple aspects and domains. Among these, computer-using agents, capable of interacting with operating systems as humans do, are paving the way to automated scientific problem-solving and addressing routines in researchers' workflows. Recognizing the transformative potential of these agents, we introduce ScienceBoard, which encompasses two complementary contributions: (i) a realistic, multi-domain environment featuring dynamic and visually rich scientific workflows with integrated professional software, where agents can autonomously interact via different interfaces to accelerate complex research tasks and experiments; and (ii) a challenging benchmark of 169 high-quality, rigorously validated real-world tasks curated by humans, spanning scientific-discovery workflows in domains such as biochemistry, astronomy, and geoinformatics. Extensive evaluations of agents with state-of-the-art backbones (e.g., GPT-4o, Claude 3.7, UI-TARS) show that, despite some promising results, they still fall short of reliably assisting scientists in complex workflows, achieving only a 15% overall success rate. In-depth analysis further provides valuable insights for addressing current agent limitations and more effective design principles, paving the way to build more capable agents for scientific discovery. Our code, environment, and benchmark are at https://qiushisun.github.io/ScienceBoard-Home/.

Large language models (LLMs) are increasingly applied in task-oriented dialogue (TOD) systems but often struggle with long, conditional workflows that involve external tool calls and depend on user-specific information. We present Workflow Adherence via Runtime Parallel Personalization, or WARPP, a training-free, modular framework that combines multi-agent orchestration with runtime personalization to improve workflow adherence in LLM-based systems. By dynamically pruning conditional branches based on user attributes, the framework reduces reasoning overhead and narrows tool selection at runtime. WARPP deploys a parallelized architecture where a dedicated Personalizer agent operates alongside modular, domain-specific agents to dynamically tailor execution paths in real time. The framework is evaluated across five representative user intents of varying complexity within three domains: banking, flights, and healthcare. Our evaluation leverages synthetic datasets and LLM-powered simulated users to test scenarios with conditional dependencies. Our results demonstrate that WARPP outperforms both the non-personalized method and the ReAct baseline, achieving increasingly larger gains in parameter fidelity and tool accuracy as intent complexity grows, while also reducing average token usage, without any additional training.

Robotic Process Automation (RPA) systems face challenges in handling complex processes and diverse screen layouts that require advanced human-like decision-making capabilities. These systems typically rely on pixel-level encoding through drag-and-drop or automation frameworks such as Selenium to create navigation workflows, rather than visual understanding of screen elements. In this context, we present SmartFlow, an AI-based RPA system that uses pre-trained large language models (LLMs) coupled with deep-learning based image understanding. Our system can adapt to new scenarios, including changes in the user interface and variations in input data, without the need for human intervention. SmartFlow uses computer vision and natural language processing to perceive visible elements on the graphical user interface (GUI) and convert them into a textual representation. This information is then utilized by LLMs to generate a sequence of actions that are executed by a scripting engine to complete an assigned task. To assess the effectiveness of SmartFlow, we have developed a dataset that includes a set of generic enterprise applications with diverse layouts, which we are releasing for research use. Our evaluations on this dataset demonstrate that SmartFlow exhibits robustness across different layouts and applications. SmartFlow can automate a wide range of business processes such as form filling, customer service, invoice processing, and back-office operations. SmartFlow can thus assist organizations in enhancing productivity by automating an even larger fraction of screen-based workflows. The demo-video and dataset are available at https://smartflow-4c5a0a.webflow.io/.

Scripting interfaces enable users to automate tasks and customize software workflows, but creating scripts traditionally requires programming expertise and familiarity with specific APIs, posing barriers for many users. While Large Language Models (LLMs) can generate code from natural language queries, runtime code generation is severely limited due to unverified code, security risks, longer response times, and higher computational costs. To bridge the gap, we propose an offline simulation framework to curate a software-specific skillset, a collection of verified scripts, by exploiting LLMs and publicly available scripting guides. Our framework comprises two components: (1) task creation, using top-down functionality guidance and bottom-up API synergy exploration to generate helpful tasks; and (2) skill generation with trials, refining and validating scripts based on execution feedback. To efficiently navigate the extensive API landscape, we introduce a Graph Neural Network (GNN)-based link prediction model to capture API synergy, enabling the generation of skills involving underutilized APIs and expanding the skillset's diversity. Experiments with Adobe Illustrator demonstrate that our framework significantly improves automation success rates, reduces response time, and saves runtime token costs compared to traditional runtime code generation. This is the first attempt to use software scripting interfaces as a testbed for LLM-based systems, highlighting the advantages of leveraging execution feedback in a controlled environment and offering valuable insights into aligning AI capabilities with user needs in specialized software domains.

Task-oriented dialogue is difficult in part because it involves understanding user intent, collecting information from the user, executing API calls, and generating helpful and fluent responses. However, for complex tasks one must also correctly do all of these things over multiple steps, and in a specific order. While large pre-trained language models can be fine-tuned end-to-end to create multi-step task-oriented dialogue agents that generate fluent text, our experiments confirm that this approach alone cannot reliably perform new multi-step tasks that are unseen during training. To address these limitations, we augment the dialogue contexts given to text2text transformers with known valid workflow names and action plans. Action plans consist of sequences of actions required to accomplish a task, and are encoded as simple sequences of keywords (e.g. verify-identity, pull-up-account, reset-password, etc.). We perform extensive experiments on the Action-Based Conversations Dataset (ABCD) with T5-small, base and large models, and show that such models: a) are able to more readily generalize to unseen workflows by following the provided plan, and b) are able to generalize to executing unseen actions if they are provided in the plan. In contrast, models are unable to fully accomplish new multi-step tasks when they are not provided action plan information, even when given new valid workflow names.

Optimization underpins decision-making in domains from healthcare to logistics, yet for many practitioners it remains a "magical box": powerful but opaque, difficult to use, and reliant on specialized expertise. While prior work has extensively studied machine learning workflows, the everyday practices of optimization model developers (OMDs) have received little attention. We conducted semi-structured interviews with 15 OMDs across diverse domains to examine how optimization is done in practice. Our findings reveal a highly iterative workflow spanning six stages: problem elicitation, data processing, model development, implementation, validation, and deployment. Importantly, we find that optimization practice is not only about algorithms that deliver better decisions, but is equally shaped by data and dialogue - the ongoing communication with stakeholders that enables problem framing, trust, and adoption. We discuss opportunities for future tooling that foregrounds data and dialogue alongside decision-making, opening new directions for human-centered optimization.

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully realize this potential, it is essential to develop a principled way of designing and studying such structured interactions. For this purpose, we introduce the conceptual framework of Flows: a systematic approach to modeling complex interactions. Flows are self-contained building blocks of computation, with an isolated state, communicating through a standardized message-based interface. This modular design allows Flows to be recursively composed into arbitrarily nested interactions, with a substantial reduction of complexity. Crucially, any interaction can be implemented using this framework, including prior work on AI--AI and human--AI interactions, prompt engineering schemes, and tool augmentation. We demonstrate the potential of Flows on the task of competitive coding, a challenging task on which even GPT-4 struggles. Our results suggest that structured reasoning and collaboration substantially improve generalization, with AI-only Flows adding +21 and human--AI Flows adding +54 absolute points in terms of solve rate. To support rapid and rigorous research, we introduce the aiFlows library. The library comes with a repository of Flows that can be easily used, extended, and composed into novel, more complex Flows. The aiFlows library is available at https://github.com/epfl-dlab/aiflows. Data and Flows for reproducing our experiments are available at https://github.com/epfl-dlab/cc_flows.

Real-world data collection for robotics is costly and resource-intensive, requiring skilled operators and expensive hardware. Simulations offer a scalable alternative but often fail to achieve sim-to-real generalization due to geometric and visual gaps. To address these challenges, we propose a 3D-photorealistic real-to-sim system, namely, RE^3SIM, addressing geometric and visual sim-to-real gaps. RE^3SIM employs advanced 3D reconstruction and neural rendering techniques to faithfully recreate real-world scenarios, enabling real-time rendering of simulated cross-view cameras within a physics-based simulator. By utilizing privileged information to collect expert demonstrations efficiently in simulation, and train robot policies with imitation learning, we validate the effectiveness of the real-to-sim-to-real pipeline across various manipulation task scenarios. Notably, with only simulated data, we can achieve zero-shot sim-to-real transfer with an average success rate exceeding 58%. To push the limit of real-to-sim, we further generate a large-scale simulation dataset, demonstrating how a robust policy can be built from simulation data that generalizes across various objects. Codes and demos are available at: http://xshenhan.github.io/Re3Sim/.

The rapidly evolving field of Robotic Process Automation (RPA) has made significant strides in automating repetitive processes, yet its effectiveness diminishes in scenarios requiring spontaneous or unpredictable tasks demanded by users. This paper introduces a novel approach, FlowMind, leveraging the capabilities of Large Language Models (LLMs) such as Generative Pretrained Transformer (GPT), to address this limitation and create an automatic workflow generation system. In FlowMind, we propose a generic prompt recipe for a lecture that helps ground LLM reasoning with reliable Application Programming Interfaces (APIs). With this, FlowMind not only mitigates the common issue of hallucinations in LLMs, but also eliminates direct interaction between LLMs and proprietary data or code, thus ensuring the integrity and confidentiality of information - a cornerstone in financial services. FlowMind further simplifies user interaction by presenting high-level descriptions of auto-generated workflows, enabling users to inspect and provide feedback effectively. We also introduce NCEN-QA, a new dataset in finance for benchmarking question-answering tasks from N-CEN reports on funds. We used NCEN-QA to evaluate the performance of workflows generated by FlowMind against baseline and ablation variants of FlowMind. We demonstrate the success of FlowMind, the importance of each component in the proposed lecture recipe, and the effectiveness of user interaction and feedback in FlowMind.

Real-world enterprise text-to-SQL workflows often involve complex cloud or local data across various database systems, multiple SQL queries in various dialects, and diverse operations from data transformation to analytics. We introduce Spider 2.0, an evaluation framework comprising 632 real-world text-to-SQL workflow problems derived from enterprise-level database use cases. The databases in Spider 2.0 are sourced from real data applications, often containing over 1,000 columns and stored in local or cloud database systems such as BigQuery and Snowflake. We show that solving problems in Spider 2.0 frequently requires understanding and searching through database metadata, dialect documentation, and even project-level codebases. This challenge calls for models to interact with complex SQL workflow environments, process extremely long contexts, perform intricate reasoning, and generate multiple SQL queries with diverse operations, often exceeding 100 lines, which goes far beyond traditional text-to-SQL challenges. Our evaluations indicate that based on o1-preview, our code agent framework successfully solves only 17.0% of the tasks, compared with 91.2% on Spider 1.0 and 73.0% on BIRD. Our results on Spider 2.0 show that while language models have demonstrated remarkable performance in code generation -- especially in prior text-to-SQL benchmarks -- they require significant improvement in order to achieve adequate performance for real-world enterprise usage. Progress on Spider 2.0 represents crucial steps towards developing intelligent, autonomous, code agents for real-world enterprise settings. Our code, baseline models, and data are available at https://spider2-sql.github.io.

Language models (LMs) can perform complex reasoning either end-to-end, with hidden latent state, or compositionally, with transparent intermediate state. Composition offers benefits for interpretability and safety, but may need workflow support and infrastructure to remain competitive. We describe iterated decomposition, a human-in-the-loop workflow for developing and refining compositional LM programs. We improve the performance of compositions by zooming in on failing components and refining them through decomposition, additional context, chain of thought, etc. To support this workflow, we develop ICE, an open-source tool for visualizing the execution traces of LM programs. We apply iterated decomposition to three real-world tasks and improve the accuracy of LM programs over less compositional baselines: describing the placebo used in a randomized controlled trial (25% to 65%), evaluating participant adherence to a medical intervention (53% to 70%), and answering NLP questions on the Qasper dataset (38% to 69%). These applications serve as case studies for a workflow that, if automated, could keep ML systems interpretable and safe even as they scale to increasingly complex tasks.

Computer games, as fully controlled simulated environments, have been utilized in significant scientific studies demonstrating the application of Reinforcement Learning (RL). Gaming and esports are key areas influenced by the application of Artificial Intelligence (AI) and Machine Learning (ML) solutions at scale. Tooling simplifies scientific workloads and is essential for developing the gaming and esports research area. In this work, we present ``SC2Tools'', a toolset containing multiple submodules responsible for working with, and producing larger datasets. We provide a modular structure of the implemented tooling, leaving room for future extensions where needed. Additionally, some of the tools are not StarCraft~2 exclusive and can be used with other types of data for dataset creation. The tools we present were leveraged in creating one of the largest StarCraft~2 tournament datasets to date with a separate PyTorch and PyTorch Lightning application programming interface (API) for easy access to the data. We conclude that alleviating the burden of data collection, preprocessing, and custom code development is essential for less technically proficient researchers to engage in the growing gaming and esports research area. Finally, our solution provides some foundational work toward normalizing experiment workflow in StarCraft~2

Traditional agentic workflows rely on external prompts to manage interactions with tools and the environment, which limits the autonomy of reasoning models. We position Large Agent Models (LAMs) that internalize the generation of Chain-of-Action (CoA), enabling the model to autonomously decide when and how to use external tools. Our proposed AutoCoA framework combines supervised fine-tuning (SFT) and reinforcement learning (RL), allowing the model to seamlessly switch between reasoning and action while efficiently managing environment interactions. Main components include step-level action triggering, trajectory-level CoA optimization, and an internal world model to reduce real-environment interaction costs. Evaluations on open-domain QA tasks demonstrate that AutoCoA-trained agent models significantly outperform ReAct-based workflows in task completion, especially in tasks that require long-term reasoning and multi-step actions. Code and dataset are available at https://github.com/ADaM-BJTU/AutoCoA

In modern data-driven science, reproducibility and reusability are key challenges. Scientists are well skilled in the process from data to publication. Although some publication channels require source code and data to be made accessible, rerunning and verifying experiments is usually hard due to a lack of standards. Therefore, reusing existing scientific data processing code from state-of-the-art research is hard as well. This is why we introduce CLAIMED, which has a proven track record in scientific research for addressing the repeatability and reusability issues in modern data-driven science. CLAIMED is a framework to build reusable operators and scalable scientific workflows by supporting the scientist to draw from previous work by re-composing workflows from existing libraries of coarse-grained scientific operators. Although various implementations exist, CLAIMED is programming language, scientific library, and execution environment agnostic.

This review presents a comprehensive analysis of two emerging paradigms in AI-assisted software development: vibe coding and agentic coding. While both leverage large language models (LLMs), they differ fundamentally in autonomy, architectural design, and the role of the developer. Vibe coding emphasizes intuitive, human-in-the-loop interaction through prompt-based, conversational workflows that support ideation, experimentation, and creative exploration. In contrast, agentic coding enables autonomous software development through goal-driven agents capable of planning, executing, testing, and iterating tasks with minimal human intervention. We propose a detailed taxonomy spanning conceptual foundations, execution models, feedback loops, safety mechanisms, debugging strategies, and real-world tool ecosystems. Through comparative workflow analysis and 20 detailed use cases, we illustrate how vibe systems thrive in early-stage prototyping and education, while agentic systems excel in enterprise-grade automation, codebase refactoring, and CI/CD integration. We further examine emerging trends in hybrid architectures, where natural language interfaces are coupled with autonomous execution pipelines. Finally, we articulate a future roadmap for agentic AI, outlining the infrastructure needed for trustworthy, explainable, and collaborative systems. Our findings suggest that successful AI software engineering will rely not on choosing one paradigm, but on harmonizing their strengths within a unified, human-centered development lifecycle.

Chaos Engineering (CE) is an engineering technique aimed at improving the resilience of distributed systems. It involves intentionally injecting faults into a system to test its resilience, uncover weaknesses, and address them before they cause failures in production. Recent CE tools automate the execution of predefined CE experiments. However, planning such experiments and improving the system based on the experimental results still remain manual. These processes are labor-intensive and require multi-domain expertise. To address these challenges and enable anyone to build resilient systems at low cost, this paper proposes ChaosEater, a system that automates the entire CE cycle with Large Language Models (LLMs). It predefines an agentic workflow according to a systematic CE cycle and assigns subdivided processes within the workflow to LLMs. ChaosEater targets CE for software systems built on Kubernetes. Therefore, the LLMs in ChaosEater complete CE cycles through software engineering tasks, including requirement definition, code generation, testing, and debugging. We evaluate ChaosEater through case studies on small- and large-scale Kubernetes systems. The results demonstrate that it consistently completes reasonable CE cycles with significantly low time and monetary costs. Its cycles are also qualitatively validated by human engineers and LLMs.

Large language models (LLMs) have demonstrated strong potential and impressive performance in automating the generation and optimization of workflows. However, existing approaches are marked by limited reasoning capabilities, high computational demands, and significant resource requirements. To address these issues, we propose DebFlow, a framework that employs a debate mechanism to optimize workflows and integrates reflexion to improve based on previous experiences. We evaluated our method across six benchmark datasets, including HotpotQA, MATH, and ALFWorld. Our approach achieved a 3\% average performance improvement over the latest baselines, demonstrating its effectiveness in diverse problem domains. In particular, during training, our framework reduces resource consumption by 37\% compared to the state-of-the-art baselines. Additionally, we performed ablation studies. Removing the Debate component resulted in a 4\% performance drop across two benchmark datasets, significantly greater than the 2\% drop observed when the Reflection component was removed. These findings strongly demonstrate the critical role of Debate in enhancing framework performance, while also highlighting the auxiliary contribution of reflexion to overall optimization.

Large Language Models (LLMs) have emerged as powerful tools for automating and executing complex data tasks. However, their integration into more complex data workflows introduces significant management challenges. In response, we present TableVault - a data management system designed to handle dynamic data collections in LLM-augmented environments. TableVault meets the demands of these workflows by supporting concurrent execution, ensuring reproducibility, maintaining robust data versioning, and enabling composable workflow design. By merging established database methodologies with emerging LLM-driven requirements, TableVault offers a transparent platform that efficiently manages both structured data and associated data artifacts.

Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over static trajectories or reinforcement learning (RL) on narrow tasks, and generalize poorly beyond development settings, leading to brittleness with new tools and unseen workflows. Because code execution reflects many structures of real-world workflows, coding problems provide a natural basis for building agent training environments. Motivated by this, we introduce CodeGym, a scalable framework that synthesizes diverse, verifiable, and controllable multi-turn tool-use environments for agent RL, enabling LLM agents to explore and master various workflows actively. CodeGym rewrites static coding problems into interactive environments by extracting atomic functions or logic into callable tools, yielding verifiable tasks that span various tool-execution workflows. Models of varying sizes and chain-of-thought configurations, trained in CodeGym, exhibit consistent out-of-distribution generalizability; for example, Qwen2.5-32B-Instruct achieves an absolute accuracy gain of 8.7 points on the OOD benchmark tau-Bench. These results highlight CodeGym as a step toward scalable general-purpose RL environments that align with real-world agent workflows.

Coordinating workflows across heterogeneous control systems remains a central challenge in safety-critical environments such as scientific facilities, industrial plants, and energy infrastructures. Language-model-driven agents offer a natural interface for these tasks, but existing approaches often lack scalability, reliability, and human oversight. We introduce the Alpha Berkeley Framework, a production-ready architecture for scalable agentic systems that integrate conversational context with robust tool orchestration. The framework features dynamic capability classification to select only relevant tools per task, a plan-first orchestration model that generates execution plans with explicit dependencies and optional human approval, context-aware task extraction that combines dialogue history with external memory and domain resources, and production-ready execution environments with checkpointing, artifact management, and modular deployment. We demonstrate its versatility through two case studies: a tutorial-style wind farm monitoring example and a deployment at the Advanced Light Source particle accelerator. These results establish Alpha Berkeley as a reliable and transparent framework for agentic systems in high-stakes domains.

As computational work becomes more and more integral to many aspects of scientific research, computational reproducibility has become an issue of increasing importance to computer systems researchers and domain scientists alike. Though computational reproducibility seems more straight forward than replicating physical experiments, the complex and rapidly changing nature of computer environments makes being able to reproduce and extend such work a serious challenge. In this paper, I explore common reasons that code developed for one research project cannot be successfully executed or extended by subsequent researchers. I review current approaches to these issues, including virtual machines and workflow systems, and their limitations. I then examine how the popular emerging technology Docker combines several areas from systems research - such as operating system virtualization, cross-platform portability, modular re-usable elements, versioning, and a `DevOps' philosophy, to address these challenges. I illustrate this with several examples of Docker use with a focus on the R statistical environment.

Computer use agents (CUAs) need to plan task workflows grounded in diverse, ever-changing applications and environments, but learning is hindered by the scarcity of large-scale, high-quality training data in the target application. Existing datasets are domain-specific, static, and costly to annotate, while current synthetic data generation methods often yield simplistic or misaligned task demonstrations. To address these limitations, we introduce Watch & Learn (W&L), a framework that converts human demonstration videos readily available on the Internet into executable UI trajectories at scale. Instead of directly generating trajectories or relying on ad hoc reasoning heuristics, we cast the problem as an inverse dynamics objective: predicting the user's action from consecutive screen states. This formulation reduces manual engineering, is easier to learn, and generalizes more robustly across applications. Concretely, we develop an inverse dynamics labeling pipeline with task-aware video retrieval, generate over 53k high-quality trajectories from raw web videos, and demonstrate that these trajectories improve CUAs both as in-context demonstrations and as supervised training data. On the challenging OSWorld benchmark, UI trajectories extracted with W&L consistently enhance both general-purpose and state-of-the-art frameworks in-context, and deliver stronger gains for open-source models under supervised training. These results highlight web-scale human demonstration videos as a practical and scalable foundation for advancing CUAs towards real-world deployment.

Despite recent advancements in large language models (LLMs), their performance on complex reasoning problems requiring multi-step thinking and combining various skills is still limited. To address this, we propose a novel framework HDFlow for complex reasoning with LLMs that combines fast and slow thinking modes in an adaptive manner. Our approach consists of two key components: 1) a new approach for slow, deliberate reasoning called Dynamic Workflow, which automatically decomposes complex problems into more manageable sub-tasks and dynamically designs a workflow to assemble specialized LLM or symbolic reasoning tools to solve sub-tasks; 2) Hybrid Thinking, a general framework that dynamically combines fast and slow thinking based on problem complexity. Finally, we propose an easy-to-scale method for automatically synthesizing a large-scale dataset of 27K challenging reasoning problems for complex reasoning and a hybrid thinking tuning method that trains smaller LLMs on this dataset to internalize the fast/slow hybrid reasoning strategies. Experiments on four reasoning benchmark datasets demonstrate that our slow thinking with dynamic workflows significantly outperforms Chain-of-Thought, and hybrid thinking achieves the highest accuracy while providing an effective balance between computational efficiency and performance. Fine-tuning using our hybrid thinking approach also significantly boosts the complex reasoning capabilities of open-source language models. The results showcase the promise of slow thinking, dynamic workflows, and hybrid thinking in expanding the frontier of complex problem-solving with LLMsCode and data will be released at \url{https://github.com/wenlinyao/HDFlow.}.

Legal practitioners, particularly those early in their careers, face complex, high-stakes tasks that require adaptive, context-sensitive reasoning. While AI holds promise in supporting legal work, current datasets and models are narrowly focused on isolated subtasks and fail to capture the end-to-end decision-making required in real-world practice. To address this gap, we introduce LawFlow, a dataset of complete end-to-end legal workflows collected from trained law students, grounded in real-world business entity formation scenarios. Unlike prior datasets focused on input-output pairs or linear chains of thought, LawFlow captures dynamic, modular, and iterative reasoning processes that reflect the ambiguity, revision, and client-adaptive strategies of legal practice. Using LawFlow, we compare human and LLM-generated workflows, revealing systematic differences in structure, reasoning flexibility, and plan execution. Human workflows tend to be modular and adaptive, while LLM workflows are more sequential, exhaustive, and less sensitive to downstream implications. Our findings also suggest that legal professionals prefer AI to carry out supportive roles, such as brainstorming, identifying blind spots, and surfacing alternatives, rather than executing complex workflows end-to-end. Building on these findings, we propose a set of design suggestions, rooted in empirical observations, that align AI assistance with human goals of clarity, completeness, creativity, and efficiency, through hybrid planning, adaptive execution, and decision-point support. Our results highlight both the current limitations of LLMs in supporting complex legal workflows and opportunities for developing more collaborative, reasoning-aware legal AI systems. All data and code are available on our project page (https://minnesotanlp.github.io/LawFlow-website/).

Real-world enterprise data intelligence workflows encompass data engineering that turns raw sources into analytical-ready tables and data analysis that convert those tables into decision-oriented insights. We introduce DAComp, a benchmark of 210 tasks that mirrors these complex workflows. Data engineering (DE) tasks require repository-level engineering on industrial schemas, including designing and building multi-stage SQL pipelines from scratch and evolving existing systems under evolving requirements. Data analysis (DA) tasks pose open-ended business problems that demand strategic planning, exploratory analysis through iterative coding, interpretation of intermediate results, and the synthesis of actionable recommendations. Engineering tasks are scored through execution-based, multi-metric evaluation. Open-ended tasks are assessed by a reliable, experimentally validated LLM-judge, which is guided by hierarchical, meticulously crafted rubrics. Our experiments reveal that even state-of-the-art agents falter on DAComp. Performance on DE tasks is particularly low, with success rates under 20%, exposing a critical bottleneck in holistic pipeline orchestration, not merely code generation. Scores on DA tasks also average below 40%, highlighting profound deficiencies in open-ended reasoning and demonstrating that engineering and analysis are distinct capabilities. By clearly diagnosing these limitations, DAComp provides a rigorous and realistic testbed to drive the development of truly capable autonomous data agents for enterprise settings. Our data and code are available at https://da-comp.github.io

It is a notable trend to use Large Language Models (LLMs) to tackle complex tasks, e.g., tasks that require a sequence of actions and dynamic interaction with tools and external environments. In this paper, we propose StateFlow, a novel LLM-based task-solving paradigm that conceptualizes complex task-solving processes as state machines. In StateFlow, we distinguish between "process grounding" (via state and state transitions) and "sub-task solving" (through actions within a state), enhancing control and interpretability of the task-solving procedure. A state represents the status of a running process. The transitions between states are controlled by heuristic rules or decisions made by the LLM, allowing for a dynamic and adaptive progression. Upon entering a state, a series of actions is executed, involving not only calling LLMs guided by different prompts, but also the utilization of external tools as needed. Our results show that StateFlow significantly enhances LLMs' efficiency. For instance, StateFlow achieves 13% and 28% higher success rates compared to ReAct in InterCode SQL and ALFWorld benchmark, with 5x and 3x less cost respectively. We also show that StateFlow can be combined with iterative refining methods like Reflexion to further improve performance.

Advancements in high-computing devices increase the necessity for improved and new understanding and development of smart manufacturing factories. Discrete-event models with simulators have been shown to be critical to architect, designing, building, and operating the manufacturing of semiconductor chips. The diffusion, implantation, and lithography machines have intricate processes due to their feedforward and feedback connectivity. The dataset collected from simulations of the factory models holds the promise of generating valuable machine-learning models. As surrogate data-based models, their executions are highly efficient compared to the physics-based counterpart models. For the development of surrogate models, it is beneficial to have publicly available benchmark simulation models that are grounded in factory models that have concise structures and accurate behaviors. Hence, in this research, a dataset is devised and constructed based on a benchmark model of an Intel semiconductor fabrication factory. The model is formalized using the Parallel Discrete-Event System Specification and executed using the DEVS-Suite simulator. The time series dataset is constructed using discrete-event time trajectories. This dataset is further analyzed and used to develop baseline univariate and multivariate machine learning models. The dataset can also be utilized in the machine learning community for behavioral analysis based on formalized and scalable component-based discrete-event models and simulations.

Simulation-based data synthesis has emerged as a powerful paradigm for enhancing real-world robotic manipulation. However, existing synthetic datasets remain insufficient for robust bimanual manipulation due to two challenges: (1) the lack of an efficient, scalable data generation method for novel tasks, and (2) oversimplified simulation environments that fail to capture real-world complexity. We present RoboTwin 2.0, a scalable simulation framework that enables automated, large-scale generation of diverse and realistic data, along with unified evaluation protocols for dual-arm manipulation. We first construct RoboTwin-OD, a large-scale object library comprising 731 instances across 147 categories, each annotated with semantic and manipulation-relevant labels. Building on this foundation, we develop an expert data synthesis pipeline that combines multimodal large language models (MLLMs) with simulation-in-the-loop refinement to generate task-level execution code automatically. To improve sim-to-real transfer, RoboTwin 2.0 incorporates structured domain randomization along five axes: clutter, lighting, background, tabletop height and language instructions, thereby enhancing data diversity and policy robustness. We instantiate this framework across 50 dual-arm tasks spanning five robot embodiments, and pre-collect over 100,000 domain-randomized expert trajectories. Empirical results show a 10.9% gain in code generation success and improved generalization to novel real-world scenarios. A VLA model fine-tuned on our dataset achieves a 367% relative improvement (42.0% vs. 9.0%) on unseen scene real-world tasks, while zero-shot models trained solely on our synthetic data achieve a 228% relative gain, highlighting strong generalization without real-world supervision. We release the data generator, benchmark, dataset, and code to support scalable research in robust bimanual manipulation.

Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and implements security models that present barriers for use by agents. We report on our experience using the Model Context Protocol (MCP) as a unifying interface that makes research capabilities discoverable, invokable, and composable. Our approach is pragmatic: we implement thin MCP servers over mature services, including Globus Transfer, Compute, and Search; status APIs exposed by computing facilities; Octopus event fabric; and domain-specific tools such as Garden and Galaxy. We use case studies in computational chemistry, bioinformatics, quantum chemistry, and filesystem monitoring to illustrate how this MCP-oriented architecture can be used in practice. We distill lessons learned and outline open challenges in evaluation and trust for agent-led science.

Chaos Engineering (CE) is an engineering technique aimed at improving the resiliency of distributed systems. It involves artificially injecting specific failures into a distributed system and observing its behavior in response. Based on the observation, the system can be proactively improved to handle those failures. Recent CE tools implement the automated execution of predefined CE experiments. However, defining these experiments and improving the system based on the experimental results still remain manual. To reduce the costs of the manual operations, we propose ChaosEater, a system for automating the entire CE operations with Large Language Models (LLMs). It predefines the agentic workflow according to a systematic CE cycle and assigns subdivided operations within the workflow to LLMs. ChaosEater targets CE for Kubernetes systems, which are managed through code (i.e., Infrastructure as Code). Therefore, the LLMs in ChaosEater perform software engineering tasks to complete CE cycles, including requirement definition, code generation, debugging, and testing. We evaluate ChaosEater through case studies on both small and large Kubernetes systems. The results demonstrate that it stably completes reasonable single CE cycles with significantly low time and monetary costs. The CE cycles are also qualitatively validated by human engineers and LLMs.

Large language models (LLMs) often struggle when performing agentic tasks without substantial tool support, prom-pt engineering, or fine tuning. Despite research showing that domain-dependent, procedural knowledge can dramatically increase planning efficiency, little work evaluates its potential for improving LLM performance on agentic tasks that may require implicit planning. We formalize, implement, and evaluate an agentic LLM workflow that leverages procedural knowledge in the form of a hierarchical task network (HTN). Empirical results of our implementation show that hand-coded HTNs can dramatically improve LLM performance on agentic tasks, and using HTNs can boost a 20b or 70b parameter LLM to outperform a much larger 120b parameter LLM baseline. Furthermore, LLM-created HTNs improve overall performance, though less so. The results suggest that leveraging expertise--from humans, documents, or LLMs--to curate procedural knowledge will become another important tool for improving LLM workflows.

Due to the advantages in the cost-efficiency and reproducibility, user simulation has become a promising solution to the user-centric evaluation of information retrieval systems. Nonetheless, accurately simulating user search behaviors has long been a challenge, because users' actions in search are highly complex and driven by intricate cognitive processes such as learning, reasoning, and planning. Recently, Large Language Models (LLMs) have demonstrated remarked potential in simulating human-level intelligence and have been used in building autonomous agents for various tasks. However, the potential of using LLMs in simulating search behaviors has not yet been fully explored. In this paper, we introduce a LLM-based user search behavior simulator, USimAgent. The proposed simulator can simulate users' querying, clicking, and stopping behaviors during search, and thus, is capable of generating complete search sessions for specific search tasks. Empirical investigation on a real user behavior dataset shows that the proposed simulator outperforms existing methods in query generation and is comparable to traditional methods in predicting user clicks and stopping behaviors. These results not only validate the effectiveness of using LLMs for user simulation but also shed light on the development of a more robust and generic user simulators.

Large Language Models (LLMs) are increasingly applied to software engineering (SWE), with SWE-bench as a key benchmark. Solutions are split into SWE-Agent frameworks with multi-turn interactions and workflow-based Agentless methods with single-turn verifiable steps. We argue these paradigms are not mutually exclusive: reasoning-intensive Agentless training induces skill priors, including localization, code edit, and self-reflection that enable efficient and effective SWE-Agent adaptation. In this work, we first curate the Agentless training recipe and present Kimi-Dev, an open-source SWE LLM achieving 60.4\% on SWE-bench Verified, the best among workflow approaches. With additional SFT adaptation on 5k publicly-available trajectories, Kimi-Dev powers SWE-Agents to 48.6\% pass@1, on par with that of Claude 3.5 Sonnet (241022 version). These results show that structured skill priors from Agentless training can bridge workflow and agentic frameworks for transferable coding agents.

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the Model Context Protocol (MCP), MCP-Bench connects LLMs to 28 representative live MCP servers spanning 250 tools across domains such as finance, traveling, scientific computing, and academic search. Unlike prior API-based benchmarks, each MCP server provides a set of complementary tools designed to work together, enabling the construction of authentic, multi-step tasks with rich input-output coupling. Tasks in MCP-Bench test agents' ability to retrieve relevant tools from fuzzy instructions without explicit tool names, plan multi-hop execution trajectories for complex objectives, ground responses in intermediate tool outputs, and orchestrate cross-domain workflows - capabilities not adequately evaluated by existing benchmarks that rely on explicit tool specifications, shallow few-step workflows, and isolated domain operations. We propose a multi-faceted evaluation framework covering tool-level schema understanding and usage, trajectory-level planning, and task completion. Experiments on 20 advanced LLMs reveal persistent challenges in MCP-Bench. Code and data: https://github.com/Accenture/mcp-bench.

LLMs have immense potential for generating plans, transforming an initial world state into a desired goal state. A large body of research has explored the use of LLMs for various planning tasks, from web navigation to travel planning and database querying. However, many of these systems are tailored to specific problems, making it challenging to compare them or determine the best approach for new tasks. There is also a lack of clear and consistent evaluation criteria. Our survey aims to offer a comprehensive overview of current LLM planners to fill this gap. It builds on foundational work by Kartam and Wilkins (1990) and examines six key performance criteria: completeness, executability, optimality, representation, generalization, and efficiency. For each, we provide a thorough analysis of representative works and highlight their strengths and weaknesses. Our paper also identifies crucial future directions, making it a valuable resource for both practitioners and newcomers interested in leveraging LLM planning to support agentic workflows.

The field of computer vision applied to videos of minimally invasive surgery is ever-growing. Workflow recognition pertains to the automated recognition of various aspects of a surgery: including which surgical steps are performed; and which surgical instruments are used. This information can later be used to assist clinicians when learning the surgery; during live surgery; and when writing operation notes. The Pituitary Vision (PitVis) 2023 Challenge tasks the community to step and instrument recognition in videos of endoscopic pituitary surgery. This is a unique task when compared to other minimally invasive surgeries due to the smaller working space, which limits and distorts vision; and higher frequency of instrument and step switching, which requires more precise model predictions. Participants were provided with 25-videos, with results presented at the MICCAI-2023 conference as part of the Endoscopic Vision 2023 Challenge in Vancouver, Canada, on 08-Oct-2023. There were 18-submissions from 9-teams across 6-countries, using a variety of deep learning models. A commonality between the top performing models was incorporating spatio-temporal and multi-task methods, with greater than 50% and 10% macro-F1-score improvement over purely spacial single-task models in step and instrument recognition respectively. The PitVis-2023 Challenge therefore demonstrates state-of-the-art computer vision models in minimally invasive surgery are transferable to a new dataset, with surgery specific techniques used to enhance performance, progressing the field further. Benchmark results are provided in the paper, and the dataset is publicly available at: https://doi.org/10.5522/04/26531686.

Agentic tasks, which require multi-step problem solving with autonomy, tool use, and adaptive reasoning, are becoming increasingly central to the advancement of NLP and AI. However, existing instruction data lacks tool interaction, and current agentic benchmarks rely on costly human annotation, limiting their scalability. We introduce TaskCraft, an automated workflow for generating difficulty-scalable, multi-tool, and verifiable agentic tasks with execution trajectories. TaskCraft expands atomic tasks using depth-based and width-based extensions to create structurally and hierarchically complex challenges. Empirical results show that these tasks improve prompt optimization in the generation workflow and enhance supervised fine-tuning of agentic foundation models. We present a large-scale synthetic dataset of approximately 36,000 tasks with varying difficulty to support future research on agent tuning and evaluation.

As LLM-based agents are increasingly deployed in real-life scenarios, existing benchmarks fail to capture their inherent complexity of handling extensive information, leveraging diverse resources, and managing dynamic user interactions. To address this gap, we introduce VitaBench, a challenging benchmark that evaluates agents on versatile interactive tasks grounded in real-world settings. Drawing from daily applications in food delivery, in-store consumption, and online travel services, VitaBench presents agents with the most complex life-serving simulation environment to date, comprising 66 tools. Through a framework that eliminates domain-specific policies, we enable flexible composition of these scenarios and tools, yielding 100 cross-scenario tasks (main results) and 300 single-scenario tasks. Each task is derived from multiple real user requests and requires agents to reason across temporal and spatial dimensions, utilize complex tool sets, proactively clarify ambiguous instructions, and track shifting user intent throughout multi-turn conversations. Moreover, we propose a rubric-based sliding window evaluator, enabling robust assessment of diverse solution pathways in complex environments and stochastic interactions. Our comprehensive evaluation reveals that even the most advanced models achieve only 30% success rate on cross-scenario tasks, and less than 50% success rate on others. Overall, we believe VitaBench will serve as a valuable resource for advancing the development of AI agents in practical real-world applications. The code, dataset, and leaderboard are available at https://vitabench.github.io/

Building agents, systems that perceive and act upon their environment with a degree of autonomy, has long been a focus of AI research. This pursuit has recently become vastly more practical with the emergence of large language models (LLMs) capable of using natural language to integrate information, follow instructions, and perform forms of "reasoning" and planning across a wide range of tasks. With its multimodal data streams and orchestrated workflows spanning multiple systems, radiology is uniquely suited to benefit from agents that can adapt to context and automate repetitive yet complex tasks. In radiology, LLMs and their multimodal variants have already demonstrated promising performance for individual tasks such as information extraction and report summarization. However, using LLMs in isolation underutilizes their potential to support complex, multi-step workflows where decisions depend on evolving context from multiple information sources. Equipping LLMs with external tools and feedback mechanisms enables them to drive systems that exhibit a spectrum of autonomy, ranging from semi-automated workflows to more adaptive agents capable of managing complex processes. This review examines the design of such LLM-driven agentic systems, highlights key applications, discusses evaluation methods for planning and tool use, and outlines challenges such as error cascades, tool-use efficiency, and health IT integration.

Large Language Models (LLMs) are increasingly applied for Process Modeling (PMo) tasks such as Process Model Generation (PMG). To support these tasks, researchers have introduced a variety of Process Model Representations (PMRs) that serve as model abstractions or generation targets. However, these PMRs differ widely in structure, complexity, and usability, and have never been systematically compared. Moreover, recent PMG approaches rely on distinct evaluation strategies and generation techniques, making comparison difficult. This paper presents the first empirical study that evaluates multiple PMRs in the context of PMo with LLMs. We introduce the PMo Dataset, a new dataset containing 55 process descriptions paired with models in nine different PMRs. We evaluate PMRs along two dimensions: suitability for LLM-based PMo and performance on PMG. Mermaid achieves the highest overall score across six PMo criteria, whereas BPMN text delivers the best PMG results in terms of process element similarity.

Large language models are increasingly embedded into academic writing workflows, yet existing assistants remain external to the editor, preventing deep interaction with document state, structure, and revision history. This separation makes it impossible to support agentic, context-aware operations directly within LaTeX editors such as Overleaf. We present PaperDebugger, an in-editor, multi-agent, and plugin-based academic writing assistant that brings LLM-driven reasoning directly into the writing environment. Enabling such in-editor interaction is technically non-trivial: it requires reliable bidirectional synchronization with the editor, fine-grained version control and patching, secure state management, multi-agent scheduling, and extensible communication with external tools. PaperDebugger addresses these challenges through a Chrome-approved extension, a Kubernetes-native orchestration layer, and a Model Context Protocol (MCP) toolchain that integrates literature search, reference lookup, document scoring, and revision pipelines. Our demo showcases a fully integrated workflow, including localized edits, structured reviews, parallel agent execution, and diff-based updates, encapsulated within a minimal-intrusion user interface (UI). Early aggregated analytics demonstrate active user engagement and validate the practicality of an editor-native, agentic writing assistant. More details about this demo and video could be found at https://github.com/PaperDebugger/PaperDebugger.

We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the obtained PeRFlow models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models. The implementations of training and inference are fully open-sourced. https://github.com/magic-research/piecewise-rectified-flow

Large language models (LLMs) have become a dominant and important tool for NLP researchers in a wide range of tasks. Today, many researchers use LLMs in synthetic data generation, task evaluation, fine-tuning, distillation, and other model-in-the-loop research workflows. However, challenges arise when using these models that stem from their scale, their closed source nature, and the lack of standardized tooling for these new and emerging workflows. The rapid rise to prominence of these models and these unique challenges has had immediate adverse impacts on open science and on the reproducibility of work that uses them. In this paper, we introduce DataDreamer, an open source Python library that allows researchers to write simple code to implement powerful LLM workflows. DataDreamer also helps researchers adhere to best practices that we propose to encourage open science and reproducibility. The library and documentation are available at https://github.com/datadreamer-dev/DataDreamer .

Cluster analysis relies on effective benchmarks for evaluating and comparing different algorithms. Simulation studies on synthetic data are popular because important features of the data sets, such as the overlap between clusters, or the variation in cluster shapes, can be effectively varied. Unfortunately, creating evaluation scenarios is often laborious, as practitioners must translate higher-level scenario descriptions like "clusters with very different shapes" into lower-level geometric parameters such as cluster centers, covariance matrices, etc. To make benchmarks more convenient and informative, we propose synthetic data generation based on direct specification of high-level scenarios, either through verbal descriptions or high-level geometric parameters. Our open-source Python package repliclust implements this workflow, making it easy to set up interpretable and reproducible benchmarks for cluster analysis. A demo of data generation from verbal inputs is available at https://demo.repliclust.org.

Reasoning is a fundamental cognitive process that enables logical inference, problem-solving, and decision-making. With the rapid advancement of large language models (LLMs), reasoning has emerged as a key capability that distinguishes advanced AI systems from conventional models that empower chatbots. In this survey, we categorize existing methods along two orthogonal dimensions: (1) Regimes, which define the stage at which reasoning is achieved (either at inference time or through dedicated training); and (2) Architectures, which determine the components involved in the reasoning process, distinguishing between standalone LLMs and agentic compound systems that incorporate external tools, and multi-agent collaborations. Within each dimension, we analyze two key perspectives: (1) Input level, which focuses on techniques that construct high-quality prompts that the LLM condition on; and (2) Output level, which methods that refine multiple sampled candidates to enhance reasoning quality. This categorization provides a systematic understanding of the evolving landscape of LLM reasoning, highlighting emerging trends such as the shift from inference-scaling to learning-to-reason (e.g., DeepSeek-R1), and the transition to agentic workflows (e.g., OpenAI Deep Research, Manus Agent). Additionally, we cover a broad spectrum of learning algorithms, from supervised fine-tuning to reinforcement learning such as PPO and GRPO, and the training of reasoners and verifiers. We also examine key designs of agentic workflows, from established patterns like generator-evaluator and LLM debate to recent innovations. ...

Advances in AI-assisted research have introduced powerful tools for literature retrieval, hypothesis generation, experimentation, and manuscript preparation. However, systems remain fragmented and lack human-centred workflows. To address these gaps, we introduce AIssistant, an agentic, open-source Human-AI collaborative framework designed to simplify the end-to-end creation of scientific workflows. Since our development is still in an early stage, we present here the first experiments with AIssistant for perspective and review research papers in machine learning. Our system integrates modular tools and agents for literature synthesis, section-wise experimentation, citation management, and automatic LaTeX paper text generation, while maintaining human oversight at every stage to ensure accuracy, coherence, and scholarly rigour. We conducted a comprehensive evaluation across three layers: (1) Independent Human Review, following NeurIPS double-blind standards; (2) Automated LLM Review, using GPT-5 as a scalable human review proxy; and (3) Program Chair Oversight, where the chair monitors the entire review process and makes final validation and acceptance decisions. The results demonstrate that AIssistant improves drafting efficiency and thematic consistency. Nonetheless, Human-AI collaboration remains essential for maintaining factual correctness, methodological soundness, and ethical compliance. Despite its effectiveness, we identify key limitations, including hallucinated citations, difficulty adapting to dynamic paper structures, and incomplete integration of multimodal content.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

Modern front-end (FE) development, especially when leveraging the unique features of frameworks like React and Vue, presents distinctive challenges. These include managing modular architectures, ensuring synchronization between data and visual outputs for declarative rendering, and adapting reusable components to various scenarios. Such complexities make it particularly difficult for state-of-the-art large vision-language models (VLMs) to generate accurate and functional code directly from design images. To address these challenges, we propose a reflective agentic workflow that synthesizes high-quality image-text data to capture the diverse characteristics of FE development. This workflow automates the extraction of self-containedA \textbf{self-contained code snippet is one that encapsulates all necessary logic, styling, and dependencies, ensuring it functions independently without requiring external imports or context.} code snippets from real-world projects, renders the corresponding visual outputs, and generates detailed descriptions that link design elements to functional code. To further expand the scope and utility of the synthesis, we introduce three data synthesis strategies: Evolution-based synthesis, which enables scalable and diverse dataset expansion; Waterfall-Model-based synthesis, which generates logically coherent code derived from system requirements; and Additive Development synthesis, which iteratively increases the complexity of human-authored components. We build a large vision-language model, Flame, trained on the synthesized datasets and demonstrate its effectiveness in generating React code via the pass@k metric. Our results suggest that a code VLM trained to interpret images before code generation may achieve better performance.