Daily Papers

Social simulations built from language-model agents need role-conditioned behavior that can be checked before agents are placed into a simulated population. We introduce an activation-steering screening workflow for role-conditioned agents: define a role profile, extract a role-specific direction, sweep four steering coefficients, evaluate role-profile alignment, and pass or flag each candidate configuration. On OLMo-3-7B-Instruct, we apply the workflow to a mixed 275-role inventory with 228 role-agnostic questions, GPT-4.1-mini prompted role references, and GPT-4.1-mini judges. Role-specific directions receive higher judged role-profile alignment than an assistant-axis directional control from prior persona-vector work, with mean overall scores of 63.2 versus 41.1 across the tested grid. They also preserve high lexical diversity, while the control drops sharply at larger coefficients. The role-level screen is the main practical output: most roles improve as steering increases, but 38 roles decline across all six measured dimensions, showing why simulation builders should choose coefficients per role rather than deploy a uniform high-strength setting. We make our code and evaluation artifacts available at https://anonymous.4open.science/r/anonymous-research-code-5F03/.

Molecular discovery requires navigating vast combinatorial search spaces while balancing competing biological objectives. AI agents can automate expert-defined molecular design protocols, but automation alone does not address how to optimize workflows for new tasks or improve their development through experience. Here we introduce MoLRSI, an AI agent that combines systematic optimization of workflows and model architectures with persistent cross-task memory to recursively improve its search policy for molecular discovery. Workflow performance, refinement outcomes, and execution feedback guide subsequent searches, allowing the agent to improve both its workflows and its strategy for developing them. We evaluate MoLRSI in two challenging molecular discovery settings that require balancing competing properties. In antibiotic discovery, MoLRSI developed a screening workflow balancing antibacterial activity, cytotoxicity and structural novelty, achieving an experimental hit rate of 15.9%, compared with 8.7% for a previous expert-led workflow using the same training data and screening library. In de novo peptide-MHC binder design, MoLRSI developed workflows that jointly consider target binding and specificity, producing eight experimentally validated hits against MART-1 and SARS-CoV-1 pMHCs with preferential binding over tested off-targets while Claude Science completely failed. These findings demonstrate how experience-guided workflow optimization can address competing discovery objectives while improving the search strategies used in subsequent campaigns.

This study presents a deep learning system for breast cancer detection in mammography, developed using a modified EfficientNetV2 architecture with enhanced attention mechanisms. The model was trained on mammograms from a major Thai medical center and validated on three distinct datasets: an in-domain test set (9,421 cases), a biopsy-confirmed set (883 cases), and an out-of-domain generalizability set (761 cases) collected from two different hospitals. For cancer detection, the model achieved AUROCs of 0.89, 0.96, and 0.94 on the respective datasets. The system's lesion localization capability, evaluated using metrics including Lesion Localization Fraction (LLF) and Non-Lesion Localization Fraction (NLF), demonstrated robust performance in identifying suspicious regions. Clinical validation through concordance tests showed strong agreement with radiologists: 83.5% classification and 84.0% localization concordance for biopsy-confirmed cases, and 78.1% classification and 79.6% localization concordance for out-of-domain cases. Expert radiologists' acceptance rate also averaged 96.7% for biopsy-confirmed cases, and 89.3% for out-of-domain cases. The system achieved a System Usability Scale score of 74.17 for source hospital, and 69.20 for validation hospitals, indicating good clinical acceptance. These results demonstrate the model's effectiveness in assisting mammogram interpretation, with the potential to enhance breast cancer screening workflows in clinical practice.

Absolute Binding Free Energy (ABFE) methods are among the most accurate computational techniques for predicting protein-ligand binding affinities, but their utility is limited by the need for many simulations of alchemically modified intermediate states. We propose Direct Binding Free Energy (DBFE), an end-state ABFE method in implicit solvent that requires no alchemical intermediates. DBFE outperforms OBC2 double decoupling on a host-guest benchmark and performs comparably to OBC2 MM/GBSA on a protein-ligand benchmark. Since receptor and ligand simulations can be precomputed and amortized across compounds, DBFE requires only one complex simulation per ligand compared to the many lambda windows needed for double decoupling, making it a promising candidate for virtual screening workflows. We publicly release the code for this method at https://github.com/molecularmodelinglab/dbfe.

Multimodal large language models (LLMs) are increasingly explored as automated evaluators in clinical settings, yet their scoring behavior on ordinal clinical scales remains poorly understood. We benchmark three frontier LLM families against supervised deep learning models for scoring Clock Drawing Test (CDT) images on two public datasets using the Shulman rubric. While fully fine-tuned Vision Transformers achieve the best calibration (MAE 0.52, within-1 accuracy 91%), zero-shot LLMs remain competitive on tolerance-based agreement (GPT-5 MAE 0.67, within-1 accuracy 92%) despite higher absolute error. However, per-score analysis reveals that all three LLM families exhibit a pronounced central tendency effect (systematic endpoint compression): predictions are systematically compressed toward the middle of the scale, with over-prediction at the low end (score 0 to 1) and under-prediction at the high end (score 5 to 4). This effect disproportionately affects the clinically critical extremes where accurate scoring most impacts screening decisions for cognitive impairment. Targeted ablations show that neither few-shot exemplars spanning the full score range nor removing clinical terminology from the prompt eliminates the effect. Our findings extend the LLM-as-a-judge bias literature from NLP evaluation to clinical assessment, and highlight the need for calibration-aware evaluation and post-hoc calibration before deploying LLM-based raters in high-stakes screening workflows.

Early screening via colonoscopy is critical for colon cancer prevention, yet developing robust AI systems for this domain is hindered by the lack of densely annotated, long-sequence video datasets. Existing datasets predominantly focus on single-class polyp detection and lack the rich spatial, temporal, and linguistic annotations required to evaluate modern Multimodal Large Language Models (MLLMs). To address this critical gap, we introduce Colon-Bench, generated via a novel multi-stage agentic workflow. Our pipeline seamlessly integrates temporal proposals, bounding-box tracking, AI-driven visual confirmation, and human-in-the-loop review to scalably annotate full-procedure videos. The resulting verified benchmark is unprecedented in scope, encompassing 528 videos, 14 distinct lesion categories (including polyps, ulcers, and bleeding), over 300,000 bounding boxes, 213,000 segmentation masks, and 133,000 words of clinical descriptions. We utilize Colon-Bench to rigorously evaluate state-of-the-art MLLMs across lesion classification, Open-Vocabulary Video Object Segmentation (OV-VOS), and video Visual Question Answering (VQA). The MLLM results demonstrate surprisingly high localization performance in medical domains compared to SAM-3. Finally, we analyze common VQA errors from MLLMs to introduce a novel "colon-skill" prompting strategy, improving zero-shot MLLM performance by up to 9.7% across most MLLMs. The dataset and the code are available at https://abdullahamdi.com/colon-bench .

We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we perform electron-phonon coupling calculations for 1058 of them to establish a large and systematic database of BCS superconducting properties. Using the McMillan-Allen-Dynes formula, we identify 105 dynamically stable materials with transition temperatures, Tc>5 K. Additionally, we analyze trends in our dataset and individual materials including MoN, VC, VTe, KB6, Ru3NbC, V3Pt, ScN, LaN2, RuO2, and TaC. We demonstrate that deep-learning(DL) models can predict superconductor properties faster than direct first principles computations. Notably, we find that by predicting the Eliashberg function as an intermediate quantity, we can improve model performance versus a direct DL prediction of Tc. We apply the trained models on the crystallographic open database and pre-screen candidates for further DFT calculations.

The discovery of next-generation photoinitiators for two-photon polymerization (TPP) is hindered by the absence of large, open datasets containing the quantum-chemical and photophysical properties required to model photodissociation and excited-state behavior. Existing molecular datasets typically provide only basic physicochemical descriptors and therefore cannot support data-driven screening or AI-assisted design of photoinitiators. To address this gap, we introduce QuantumChem-200K, a large-scale dataset of over 200,000 organic molecules annotated with eleven quantum-chemical properties, including two-photon absorption (TPA) cross sections, TPA spectral ranges, singlet-triplet intersystem crossing (ISC) energies, toxicity and synthetic accessibility scores, hydrophilicity, solubility, boiling point, molecular weight, and aromaticity. These values are computed using a hybrid workflow that integrates density function theory (DFT), semi-empirical excited-state methods, atomistic quantum solvers, and neural-network predictors. Using QuantumChem-200K, we fine tune the open-source Qwen2.5-32B large language model to create a chemistry AI assistant capable of forward property prediction from SMILES. Benchmarking on 3000 unseen molecules from VQM24 and ZINC20 demonstrates that domain-specific fine-tuning significantly improves accuracy over GPT-4o, Llama-3.1-70B, and the base Qwen2.5-32B model, particularly for TPA and ISC predictions central to photoinitiator design. QuantumChem-200K and the corresponding AI assistant together provide the first scalable platform for high-throughput, LLM-driven photoinitiator screening and accelerated discovery of photosensitive materials.

The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand for robust and efficient workflow management software becomes increasingly critical. In this paper, we introduce AlabOS, a general-purpose software framework for orchestrating experiments and managing resources, with an emphasis on automated laboratories for materials synthesis and characterization. AlabOS features a reconfigurable experiment workflow model and a resource reservation mechanism, enabling the simultaneous execution of varied workflows composed of modular tasks while eliminating conflicts between tasks. To showcase its capability, we demonstrate the implementation of AlabOS in a prototype autonomous materials laboratory, A-Lab, with around 3,500 samples synthesized over 1.5 years.

Early-stage molecular design is an iterative process, not just a task of generating molecules. Researchers turn broad goals into design strategies, refine candidates, assess many properties, and gather evidence before synthesis and tests. AI methods can generate molecules, optimize several goals, predict properties, dock compounds, and account for synthesis. Yet these functions are spread across specialized tools. Experts must still coordinate each step, judge interim results, and integrate evidence. The central challenge is thus to turn research intent into adaptive, traceable runs grounded in scientific tools. We cast this challenge as intent-to-evidence molecular design workflow execution and present CAi Copilot, an expert-oriented agent with three linked layers. The Research Interface Layer turns intent into an executable plan. The Agent Reasoning Layer uses interim results to guide each run. The Execution Substrate supplies molecular tools, metrics, reusable utilities, and backend services. Across 45 tasks, CAi achieves the strongest overall performance, with an outcome score of 84.59, exceeding the next-best result by 18.07 points. Additional benchmarks test how CAi coordinates generation, screening, and multi-criteria evaluation, while exposing limits in long-horizon execution. These results show that CAi turns broad molecular-design intent into transparent, traceable workflows that connect interim decisions to candidate-level evidence.

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.

Experimental materials-science labs routinely accumulate synthesis and characterization data across spreadsheets, instrument export files, and ad-hoc folders, with no durable link between a sample's recipe, its measured properties, and whether a similar composition has been reported elsewhere. We present Stage 1 of an open-source data infrastructure closing this loop for a single working alloy-synthesis lab: a relational schema for composition and synthesis records, a strict composition/mass calculator, three empirical alloy-design screening metrics (VEC, atomic-size mismatch, mixing enthalpy) plus a melt/boil-point synthesis-feasibility check, an automated cross-referencing layer against three public materials databases (Materials Project, OQMD, Alexandria) with deduplication and adjustable relevance filtering, and a desktop GUI unifying the workflow behind a single "new entry" action. Built and used by a practicing researcher rather than a software team, we report it as a systems/methodology contribution - the architecture, the concrete engineering failures encountered while building it, and how each was diagnosed and fixed - rather than new materials-science results. We argue the specific defects found - a parser ambiguity that produced silent wrong answers, a partial code edit that broke a dependency chain invisibly, a database-metadata bug traceable to an un-cast numeric type, and a credential-hygiene gap that .gitignore alone did not close - generalize to any small scientific-software project built by a domain expert without formal software-engineering training. Both the system and the lessons from building it are reported here; two follow-on papers cover the validated characterization pipelines (Stage 2) and the retrieval-augmented synthesis advisor and CALPHAD thermodynamics module (Stage 3) built on this foundation.

Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their thermal transport behaviors. These properties also impact optical, electronic, and magnetic characteristics through interactions between phonons and other quasiparticles and fields. In this study, we develop an automated first-principles workflow to calculate anharmonic phonon properties and build a comprehensive database encompassing more than 6,000 inorganic compounds. Utilizing this dataset, we train a graph neural network model to predict thermal conductivity values and spectra from structural parameters, demonstrating a scaling law in which prediction accuracy improves with increasing training data size. High-throughput screening with the model enables the identification of materials exhibiting extreme thermal conductivities -- both high and low. The resulting database offers valuable insights into the anharmonic behavior of phonons, thereby accelerating the design and development of advanced functional materials.

Systematic literature reviews and meta-analyses are essential for synthesizing research insights, but they remain time-intensive and labor-intensive due to the iterative processes of screening, evaluation, and data extraction. This paper introduces and evaluates LatteReview, a Python-based framework that leverages large language models (LLMs) and multi-agent systems to automate key elements of the systematic review process. Designed to streamline workflows while maintaining rigor, LatteReview utilizes modular agents for tasks such as title and abstract screening, relevance scoring, and structured data extraction. These agents operate within orchestrated workflows, supporting sequential and parallel review rounds, dynamic decision-making, and iterative refinement based on user feedback. LatteReview's architecture integrates LLM providers, enabling compatibility with both cloud-based and locally hosted models. The framework supports features such as Retrieval-Augmented Generation (RAG) for incorporating external context, multimodal reviews, Pydantic-based validation for structured inputs and outputs, and asynchronous programming for handling large-scale datasets. The framework is available on the GitHub repository, with detailed documentation and an installable package.

Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in most docking algorithms. We explore how machine learning can accelerate this process by learning a scoring function with a functional form that allows for more rapid optimization. Specifically, we define the scoring function to be the cross-correlation of multi-channel ligand and protein scalar fields parameterized by equivariant graph neural networks, enabling rapid optimization over rigid-body degrees of freedom with fast Fourier transforms. The runtime of our approach can be amortized at several levels of abstraction, and is particularly favorable for virtual screening settings with a common binding pocket. We benchmark our scoring functions on two simplified docking-related tasks: decoy pose scoring and rigid conformer docking. Our method attains similar but faster performance on crystal structures compared to the widely-used Vina and Gnina scoring functions, and is more robust on computationally predicted structures. Code is available at https://github.com/bjing2016/scalar-fields.

High-throughput reaction condition (RC) screening is fundamental to chemical synthesis. However, current RC screening suffers from laborious and costly trial-and-error workflows. Traditional computer-aided synthesis planning (CASP) tools fail to find suitable RCs due to data sparsity and inadequate reaction representations. Nowadays, large language models (LLMs) are capable of tackling chemistry-related problems, such as molecule design, and chemical logic Q\&A tasks. However, LLMs have not yet achieved accurate predictions of chemical reaction conditions. Here, we present MM-RCR, a text-augmented multimodal LLM that learns a unified reaction representation from SMILES, reaction graphs, and textual corpus for chemical reaction recommendation (RCR). To train MM-RCR, we construct 1.2 million pair-wised Q\&A instruction datasets. Our experimental results demonstrate that MM-RCR achieves state-of-the-art performance on two open benchmark datasets and exhibits strong generalization capabilities on out-of-domain (OOD) and High-Throughput Experimentation (HTE) datasets. MM-RCR has the potential to accelerate high-throughput condition screening in chemical synthesis.

Systematic literature reviews are essential for synthesizing scientific evidence but are costly, difficult to scale and time-intensive, creating bottlenecks for evidence-based policy. We study whether large language models can automate the complete systematic review workflow, from article retrieval, article screening, data extraction to report synthesis. Applied to epidemiological reviews of nine WHO-designated priority pathogens and validated against expert-curated ground truth, our open-source agentic pipeline (AgentSLR) achieves performance comparable to human researchers while reducing review time from approximately 7 weeks to 20 hours (a 58x speed-up). Our comparison of five frontier models reveals that performance on SLR is driven less by model size or inference cost than by each model's distinctive capabilities. Through human-in-the-loop validation, we identify key failure modes. Our results demonstrate that agentic AI can substantially accelerate scientific evidence synthesis in specialised domains.

Meta-analysis is a demanding form of evidence synthesis that combines literature retrieval, PI/ECO-guided study selection, and statistical aggregation. Its structured, verifiable workflow makes it an ideal substrate for evaluating systematic scientific reasoning, yet existing benchmarks lack ground truth across the full retrieval-screening-synthesis pipeline. We introduce MetaSyn, a dataset of 442 expert-curated meta-analyses from Nature Portfolio journals. Each entry pairs a research question with PI/ECO criteria, a retrieval corpus of 140k PubMed articles, verified positive studies, hard negatives that are topically similar but PI/ECO-ineligible, and complete search strategies and date bounds. Benchmarking twelve pipeline configurations (nine RAG variants and a protocol-driven agent) reveals a critical screening bottleneck: despite a retrieval ceiling of 90.9% recall at K=200, no system recovers more than 52.7% of ground-truth included literature. Current LLMs fail to reliably separate eligible studies from PI/ECO-failing distractors in pools of comparable topical relevance. Stage-attributed metrics capture where systems succeed and fail; a single end-to-end score does not.

Scientific research increasingly relies on specialized computational tools, yet effectively utilizing these tools demands substantial domain expertise. While Large Language Models (LLMs) show promise in tool automation, they struggle to seamlessly integrate and orchestrate multiple tools for complex scientific workflows. Here, we present SciToolAgent, an LLM-powered agent that automates hundreds of scientific tools across biology, chemistry, and materials science. At its core, SciToolAgent leverages a scientific tool knowledge graph that enables intelligent tool selection and execution through graph-based retrieval-augmented generation. The agent also incorporates a comprehensive safety-checking module to ensure responsible and ethical tool usage. Extensive evaluations on a curated benchmark demonstrate that SciToolAgent significantly outperforms existing approaches. Case studies in protein engineering, chemical reactivity prediction, chemical synthesis, and metal-organic framework screening further demonstrate SciToolAgent's capability to automate complex scientific workflows, making advanced research tools accessible to both experts and non-experts.

AI co-scientists could accelerate computational research, but over a long-running study the workflow also has to stay inspectable, resumable and reproducible, which requires persistent computational state and provenance. Here we present OpenAI4S, an open-source scientific research agent built around the principle of Code as Action, Science as Sessions. OpenAI4S combines a persistent computing runtime with research-session management: orchestration is handled through structured tool calls, while scientific actions are represented as complete code cells executed in persistent Python and R kernels. An append-only Action Ledger, per-cell execution records, versioned artifacts, environment records, and workspace checkpoints preserve how results were produced and support session recovery, branching, and extension. Configurable sandboxing, permission controls, and code and trajectory screening provide complementary safeguards. We evaluate OpenAI4S on 36 research scenarios spanning retrosynthesis, molecular dynamics, protein binder design, protein mutation, catalyst screening, and mineral spectroscopy, measuring scientific task accuracy, workflow completeness, and reproducibility of the resulting repositories. OpenAI4S achieves an overall score of 7.83, compared with 5.7--6.4 for a general-purpose coding harness evaluated with three frontier models, with the largest gains on long-horizon and computation-intensive workflows. These results suggest that integrating persistent execution with session-level provenance can improve the reliability of AI-assisted scientific workflows. Environment specification and full rerunnability remain weak for every evaluated system, ours included, so reproducibility is still an open problem for scientific agents. The system is available under the MIT license at https://github.com/PKU-YuanGroup/OpenAI4S{github.com/PKU-YuanGroup/OpenAI4S}.

By organizing knowledge within a research field, Systematic Reviews (SR) provide valuable leads to steer research. Evidence suggests that SRs have become first-class artifacts in software engineering. However, the tedious manual effort associated with the screening phase of SRs renders these studies a costly and error-prone endeavor. While screening has traditionally been considered not amenable to automation, the advent of generative AI-driven chatbots, backed with large language models is set to disrupt the field. In this report, we propose an approach to leverage these novel technological developments for automating the screening of SRs. We assess the consistency, classification performance, and generalizability of ChatGPT in screening articles for SRs and compare these figures with those of traditional classifiers used in SR automation. Our results indicate that ChatGPT is a viable option to automate the SR processes, but requires careful considerations from developers when integrating ChatGPT into their SR tools.

Medical systematic reviews typically require assessing all the documents retrieved by a search. The reason is two-fold: the task aims for ``total recall''; and documents retrieved using Boolean search are an unordered set, and thus it is unclear how an assessor could examine only a subset. Screening prioritisation is the process of ranking the (unordered) set of retrieved documents, allowing assessors to begin the downstream processes of the systematic review creation earlier, leading to earlier completion of the review, or even avoiding screening documents ranked least relevant. Screening prioritisation requires highly effective ranking methods. Pre-trained language models are state-of-the-art on many IR tasks but have yet to be applied to systematic review screening prioritisation. In this paper, we apply several pre-trained language models to the systematic review document ranking task, both directly and fine-tuned. An empirical analysis compares how effective neural methods compare to traditional methods for this task. We also investigate different types of document representations for neural methods and their impact on ranking performance. Our results show that BERT-based rankers outperform the current state-of-the-art screening prioritisation methods. However, BERT rankers and existing methods can actually be complementary, and thus, further improvements may be achieved if used in conjunction.

Medical systematic reviews can be very costly and resource intensive. We explore how Large Language Models (LLMs) can support and be trained to perform literature screening when provided with a detailed set of selection criteria. Specifically, we instruction tune LLaMA and Guanaco models to perform abstract screening for medical systematic reviews. Our best model, Bio-SIEVE, outperforms both ChatGPT and trained traditional approaches, and generalises better across medical domains. However, there remains the challenge of adapting the model to safety-first scenarios. We also explore the impact of multi-task training with Bio-SIEVE-Multi, including tasks such as PICO extraction and exclusion reasoning, but find that it is unable to match single-task Bio-SIEVE's performance. We see Bio-SIEVE as an important step towards specialising LLMs for the biomedical systematic review process and explore its future developmental opportunities. We release our models, code and a list of DOIs to reconstruct our dataset for reproducibility.

Scientific literature search often requires more than retrieving papers from a single query: users' intents are underspecified, preference-dependent, and evolve through interaction. Existing search agents typically rely on fixed pipelines or implicit language-only reasoning, making their search strategies difficult to control, inspect, and refine. We introduce PaperPilot, a multi-turn literature search agent that frames scientific search as workflow induction. Given an anchor paper and a user query, PaperPilot constructs an executable DAG of paper-search operators, including keyword search, citation expansion, filtering, scoring, reranking, and evidence extraction. User feedback is then used to refine both the query and the workflow itself. We train PaperPilot with supervised workflow imitation and preference optimization over controlled workflow corruptions. Experiments show that PaperPilot-9B improves over the base Qwen3.5-9B toolset agent under multi-turn interaction, increasing Hit@5 from 58.0 to 77.0, MRR from 47.5 to 59.4, and nDCG@10 from 26.8 to 32.5, while reducing workflow execution errors from 9.5% to 0%. These results show that explicit, editable search workflows provide an effective and controllable interface for aligning literature search agents with complex scientific intent.

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.

Scientific research follows multi-turn, multi-step workflows that require proactively searching the literature, consulting figures and tables, and integrating evidence across papers to align experimental settings and support reproducible conclusions. This joint capability is not systematically assessed in existing benchmarks, which largely under-evaluate proactive search, multi-evidence integration and sustained evidence use over time. In this work, we introduce EpiBench, an episodic multi-turn multimodal benchmark that instantiates short research workflows. Given a research task, agents must navigate across papers over multiple turns, align evidence from figures and tables, and use the accumulated evidence in the memory to answer objective questions that require cross paper comparisons and multi-figure integration. EpiBench introduces a process-level evaluation framework for fine-grained testing and diagnosis of research agents. Our experiments show that even the leading model achieves an accuracy of only 29.23% on the hard split, indicating substantial room for improvement in multi-turn, multi-evidence research workflows, providing an evaluation platform for verifiable and reproducible research agents.

Boolean query construction is often critical for medical systematic review literature search. To create an effective Boolean query, systematic review researchers typically spend weeks coming up with effective query terms and combinations. One challenge to creating an effective systematic review Boolean query is the selection of effective MeSH Terms to include in the query. In our previous work, we created neural MeSH term suggestion methods and compared them to state-of-the-art MeSH term suggestion methods. We found neural MeSH term suggestion methods to be highly effective. In this demonstration, we build upon our previous work by creating (1) a Web-based MeSH term suggestion prototype system that allows users to obtain suggestions from a number of underlying methods and (2) a Python library that implements ours and others' MeSH term suggestion methods and that is aimed at researchers who want to further investigate, create or deploy such type of methods. We describe the architecture of the web-based system and how to use it for the MeSH term suggestion task. For the Python library, we describe how the library can be used for advancing further research and experimentation, and we validate the results of the methods contained in the library on standard datasets. Our web-based prototype system is available at http://ielab-mesh-suggest.uqcloud.net, while our Python library is at https://github.com/ielab/meshsuggestlib.

Existing ML benchmarks lack the depth and diversity of annotations needed for evaluating models on business process management (BPM) tasks. BPM is the practice of documenting, measuring, improving, and automating enterprise workflows. However, research has focused almost exclusively on one task - full end-to-end automation using agents based on multimodal foundation models (FMs) like GPT-4. This focus on automation ignores the reality of how most BPM tools are applied today - simply documenting the relevant workflow takes 60% of the time of the typical process optimization project. To address this gap we present WONDERBREAD, the first benchmark for evaluating multimodal FMs on BPM tasks beyond automation. Our contributions are: (1) a dataset containing 2928 documented workflow demonstrations; (2) 6 novel BPM tasks sourced from real-world applications ranging from workflow documentation to knowledge transfer to process improvement; and (3) an automated evaluation harness. Our benchmark shows that while state-of-the-art FMs can automatically generate documentation (e.g. recalling 88% of the steps taken in a video demonstration of a workflow), they struggle to re-apply that knowledge towards finer-grained validation of workflow completion (F1 < 0.3). We hope WONDERBREAD encourages the development of more "human-centered" AI tooling for enterprise applications and furthers the exploration of multimodal FMs for the broader universe of BPM tasks. We publish our dataset and experiments here: https://github.com/HazyResearch/wonderbread

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.

Automatic workflow generation is the process of automatically synthesizing sequences of LLM calls, tool invocations, and post-processing steps for complex end-to-end tasks. Most prior methods cast this task as an optimization problem with limited theoretical grounding. We propose to cast workflow generation as Bayesian inference over a posterior distribution on workflows, and introduce Bayesian Workflow Generation (BWG), a sampling framework that builds workflows step-by-step using parallel look-ahead rollouts for importance weighting and a sequential in-loop refiner for pool-wide improvements. We prove that, without the refiner, the weighted empirical distribution converges to the target posterior. We instantiate BWG as BayesFlow, a training-free algorithm for workflow construction. Across six benchmark datasets, BayesFlow improves accuracy by up to 9 percentage points over SOTA workflow generation baselines and by up to 65 percentage points over zero-shot prompting, establishing BWG as a principled upgrade to search-based workflow design. Code will be available on https://github.com/BoYuanVisionary/BayesFlow.

Autonomous research systems increasingly make the scientific workflow executable: agents can propose ideas, run code, inspect results, and draft papers. But executable workflows do not by themselves produce research judgment. We analyze where current systems lose trial experience: weak evidence becomes prose, pilot signals become broad claims, memory remains textual, and recurring process failures do not change later behavior. We introduce Sibyl-AutoResearch, a self-evolving AutoResearch framework built around Scientific Trial-and-Error Harnesses. A harness lets agents run bounded trials, preserve positive and negative outcomes, and route lessons into later planning, validation, claim scope, scheduling, critique, writing, and harness repair. We formalize this through two auditable conversion units: trial-to-behavior conversion, which links trial signals to later research actions, and trial-to-harness-behavior conversion, which links recurring process failures to system updates. We implement the framework in SIBYL, a file-backed autonomous research system that exposes the state, roles, memory, gates, and artifact traces needed to inspect these conversion paths. A retrospective audit identifies eight high-confidence conversion events, with a median latency of one iteration and a maximum latency of three iterations. A recovered-failure registry further shows how five naturally occurring failure classes, including duplicate results, stale numbers, and unsupported statistics, were blocked, downgraded, or routed into later repair. These traces do not establish a comparative performance claim; they show that the proposed conversion units are recoverable from realistic autonomous-research workspaces. The SIBYL framework and system are available at https://github.com/Sibyl-Research-Team/AutoResearch-SibylSystem.

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.

We present a deployed system that automates end-to-end customer support workflows inside an enterprise Business Process Management (BPM) platform. The approach is scalable in production and reaches selective automation within two weeks for a new process, leveraging supervision already generated at scale: structured per-case UI interaction traces and low-overhead copilot feedback, where operators either accept a suggestion or provide a correction. A staged deployment pipeline trains a next UI action policy, learns a critic from copilot feedback to calibrate abstention, and executes only high-confidence steps in the background while deferring uncertain decisions to operators and resuming from the updated UI state. This setup lets one operator supervise multiple concurrent sessions and be interrupted only when the system is uncertain. The system operates on a schema-driven view of the BPM interface and includes monitoring and safe fallbacks for production. In production, it automated 45% of sessions and reduced average handling time by 39% without degrading support quality level.

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.

Endometriosis ultrasound reports are often unstructured free-text documents that require manual abstraction for downstream tasks such as analytics, machine learning model training, and clinical auditing. We present EndoExtract, an on-premise LLM-powered system that extracts structured data from these reports and surfaces interpretive fields for human review. Through contextual inquiry with research assistants, we identified key workflow pain points: asymmetric trust between numerical and interpretive fields, repetitive manual highlighting, fatigue from sustained comparison, and terminology inconsistency across radiologists. These findings informed an interface that surfaces only interpretive fields for mandatory review, automatically highlights source evidence within PDFs, and separates batch extraction from human-paced verification. A formative workshop revealed that EndoExtract supports a shift from field-by-field data entry to supervisory validation, though participants noted risks of over-skimming and challenges in managing missing data.

High-quality medical systematic reviews require comprehensive literature searches to ensure the recommendations and outcomes are sufficiently reliable. Indeed, searching for relevant medical literature is a key phase in constructing systematic reviews and often involves domain (medical researchers) and search (information specialists) experts in developing the search queries. Queries in this context are highly complex, based on Boolean logic, include free-text terms and index terms from standardised terminologies (e.g., MeSH), and are difficult and time-consuming to build. The use of MeSH terms, in particular, has been shown to improve the quality of the search results. However, identifying the correct MeSH terms to include in a query is difficult: information experts are often unfamiliar with the MeSH database and unsure about the appropriateness of MeSH terms for a query. Naturally, the full value of the MeSH terminology is often not fully exploited. This paper investigates methods to suggest MeSH terms based on an initial Boolean query that includes only free-text terms. These methods promise to automatically identify highly effective MeSH terms for inclusion in a systematic review query. Our study contributes an empirical evaluation of several MeSH term suggestion methods. We perform an extensive analysis of the retrieval, ranking, and refinement of MeSH term suggestions for each method and how these suggestions impact the effectiveness of Boolean queries.

We present LongCat-DeepResearch, a deep research system that combines an enhanced LongCat model with a multi-agent workflow for producing comprehensive, evidence-grounded reports. The workflow separates global planning from detailed investigation and coordinates revision at the section level. Multiple planning agents first explore external sources and refine an actionable research plan, termed ResearchSpec. Research agents then investigate and draft their assigned sections in parallel, gathering additional evidence in separate contexts as their analyses develop. Once the sections are assembled, global review guides targeted local revisions, reducing reliance on repeated full-report rewriting. This workflow also supports the construction of research tasks and trajectories for the mid-training and post-training of LongCat's general-purpose models. LongCat-DeepResearch achieves 55.25 on DeepResearchBench, 51.35 on DeepResearchBench II, and 79.83 on ResearchRubrics. On an in-house benchmark, it scores 76.04, ranking second among four compared systems. Development-set analyses show benefits from combining planning perspectives, while further planning refinement has mixed effects. Additional editing improves average automatic readability preference across two benchmarks, with different trends on each.

Work agents operate over digital artifacts to execute professional knowledge-intensive work, requiring training environments that support long-horizon interaction and trustworthy verification. However, hand-crafted environments incur prohibitive engineering overhead that prevents environment scaling, whereas synthesis methods sacrifice workspace complexity, realism, or grounded verifiability. To bridge this gap, we introduce WorkForge, a scalable synthesis framework for constructing verifiable work-agent environments from real-world resources. Starting from expert workflows, WorkForge first identifies the resources, decisions, and deliverables required by each workflow. It then retrieves relevant real-world files and organizes them into a workspace. WorkForge inspects the workspace to extract concrete, checkable facts about its content. These factual anchors fix which task types the workspace can support and how their outcomes can be verified. Therefore, WorkForge derives each task's instructions, solution plan, and complementary programmatic and semantic verifiers directly from these factual anchors, keeping verification traceable to observable workspace evidence. Furthermore, we construct 16.7K verifiable environments across 40 professional domains, with workspaces collectively covering 60 file types. Post-training Qwen3.5-35B-A3B-Base improves GDPVal from 45.5 to 73.6 and APEX Score from 5.0 to 21.3, while enabling Qwen3.5-27B to achieve highly competitive performance and outperform strong competitors. Our analyses confirm the efficacy of the proposed method and reveal consistent scaling behaviors across both data volume and interaction horizons.

Automated research systems support literature synthesis, ideation, experiments, writing, and peer review, but their evaluation is dispersed across tasks, benchmarks, and studies that are difficult to compare directly. We review this literature from the perspective of evaluation design and evidence, covering six targets: literature synthesis, research ideation, executable workflows, scholarly writing and communication, automatic peer review, and end-to-end research. We compare task construction, evidence sources, evaluators, and scoring procedures to explain the capabilities assessed by different designs. Our synthesis highlights three recurring lessons: output checks, process checks, and human studies provide complementary information; evaluator calibration is specific to the property being assessed; and resource budgets and attempt selection are integral to interpreting performance comparisons. We identify diagnostic evaluation designs and documented gaps in supporting evidence, and translate these comparisons into reporting and audit recommendations for specific evaluation settings. The survey helps readers navigate existing evaluations, select appropriate benchmarks, and design subsequent studies.

Systematic literature reviews (SLRs) play an essential role in summarising, synthesising and validating scientific evidence. In recent years, there has been a growing interest in using machine learning techniques to automate the identification of relevant studies for SLRs. However, the lack of standardised evaluation datasets makes comparing the performance of such automated literature screening systems difficult. In this paper, we analyse the citation screening evaluation datasets, revealing that many of the available datasets are either too small, suffer from data leakage or have limited applicability to systems treating automated literature screening as a classification task, as opposed to, for example, a retrieval or question-answering task. To address these challenges, we introduce CSMeD, a meta-dataset consolidating nine publicly released collections, providing unified access to 325 SLRs from the fields of medicine and computer science. CSMeD serves as a comprehensive resource for training and evaluating the performance of automated citation screening models. Additionally, we introduce CSMeD-FT, a new dataset designed explicitly for evaluating the full text publication screening task. To demonstrate the utility of CSMeD, we conduct experiments and establish baselines on new datasets.

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.

Deep research (DR) systems are increasingly used for complex information-seeking tasks, but existing works mainly focus on generating reports and summaries. In contrast, many enterprise tasks instead require an agent to identify concrete workflows which is a sequence of action-steps. For example, rather than summarizing budgeting policies, an agent should be able to determine the steps needed to answer a question such as: "How do I request new headcount given a fixed budget?". Therefore, we introduce DRFLOW, a benchmark for evaluating personalized workflows predicted by agents from heterogeneous sources. Each task requires the agent to identify relevant evidence from scattered sources, then use that evidence to predict the correct action-step sequence for the user's task. DRFLOW contains 100 tasks across five domains, with 1,246 reference workflow steps grounded in more than 3,900 sources. We define seven diagnostic metrics covering factual grounding, step recovery, structural ordering, condition resolution, and personalization. We further present DRFLOW-Agent (DRFA), a workflow-oriented reference agent to predict personalized workflow. We show that although DRFA improves over strong baseline agents (upto 10.02% average F1 score), there is substantial room for improvement remains across these workflow metrics, indicating that predicting complete and correct personalized workflows remains a challenging frontier for deep research.

Finding relevant literature underpins the practice of evidence-based medicine. From 2014 to 2016, TREC conducted a clinical decision support track, wherein participants were tasked with finding articles relevant to clinical questions posed by physicians. In total, 87 teams have participated over the past three years, generating 395 runs. During this period, each team has trialled a variety of methods. While there was significant overlap in the methods employed by different teams, the results were varied. Due to the diversity of the platforms used, the results arising from the different techniques are not directly comparable, reducing the ability to build on previous work. By using a stable platform, we have been able to compare different document and query processing techniques, allowing us to experiment with different search parameters. We have used our system to reproduce leading teams runs, and compare the results obtained. By benchmarking our indexing and search techniques, we can statistically test a variety of hypotheses, paving the way for further research.

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.

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.

Medical vision-language model (VLM) evaluation is sensitive to workflow design, prompting strategy, and benchmark construction, yet most studies treat these factors in isolation. We introduce a reliability stress test for chest X-ray interpretation built on two balanced datasets (a private report-backed set and a curated MIMIC subset). Three medical VLMs (CheXagent, MedGemma-4B, and MedGemma-27B) are evaluated across three prompt styles and two workflows (single-VLM and multi-agent), producing 36 configurations. We show that exact-match accuracy alone can overstate the effectiveness of conservative models that default to "Normal" predictions. Diagnostic reliability also depends heavily on model family and scale: multi-agent reasoning helps some configurations but hurts others. Building on these observations, we propose a decision-time routing framework that selectively escalates to multi-agent inference only when beneficial, improving the cost-quality trade-off over fixed workflows. Our results highlight the need for evaluation protocols that jointly consider prompt sensitivity, failure-mode diversity, and workflow choice before clinical deployment.

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift marks a transition from task-level AI for science to workflow-level research automation. Yet current systems remain fragmented, differing in autonomy, domain scope, execution environment, validation mechanism, and human oversight, while still struggling with evidence preservation, reproducibility, weak-direction rejection, provenance tracking, cross-domain robustness, and accountable scientific closure. This survey examines these developments through AutoResearch, defined as the developmental spectrum of AI-powered scientific workflow automation. Within it, Vibe Research denotes the human-steered region of prompt-based assistance and human-verified execution, whereas emerging AI-led systems coordinate larger portions of the discovery loop without achieving robust autonomy. We analyze how research systems redistribute control, evidence, execution, validation, and accountability across workflows and organize the field around five workflow conditions: literature and research grounding; hypothesis formation and planning; experimentation and tool use; feedback, validation, and review; and reporting and knowledge communication. We further synthesize AI scientist systems, mixed-initiative co-research frameworks, benchmarks, domain deployments, and open-source infrastructures. Finally, we propose five evaluation dimensions--novelty, validity, impact, reliability, and provenance--and show that AutoResearch autonomy is domain-conditioned, being more credible in structured, executable, and rapidly verifiable settings but limited in embodied, delayed, heterogeneous, ethical, or institutionally accountable contexts.

Tool-augmented large language models have advanced from single-turn question answering to deep research workflows that iteratively plan queries, invoke external tools, and synthesize information to address complex information needs. Evaluating such workflows presents a fundamental challenge: reliance on live APIs introduces non-determinism, as tool invocations may yield different results across runs due to temporal drift, rate limiting, and evolving backend states. This variance undermines reproducibility and invalidates cross-system comparisons. We present ScholarGym, a simulation environment for reproducible evaluation of deep research workflows on academic literature. The environment decouples workflow components into query planning, tool invocation, and relevance assessment, enabling fine-grained analysis of each stage under controlled conditions. Built on a static corpus of 570K papers with deterministic retrieval, ScholarGym provides 2,536 queries with expert-annotated ground truth. Experiments across diverse backbone models reveal how reasoning capabilities, planning strategies, and selection mechanisms interact over iterative refinement.

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/.

Multi-agent LLM systems that generate structured workflows from natural-language requests are now deployed in production across cloud automation, DevOps, and enterprise process orchestration. Operating such systems exposes a recurring change-management problem. Routine updates, such as re-running the same input, swapping the underlying LLM, or refactoring an agent's prompt or orchestration code, frequently produce workflows that differ substantially from previously validated references. Engineers are then left without a principled way to decide whether a change is safe to ship. Automatic workflow evaluation is the natural tool for answering this question. In practice, however, metric scores are poorly calibrated, and a numeric change rarely communicates the severity of the underlying degradation. We introduce WorkflowPerturb, a controlled benchmark for studying workflow evaluation metrics by applying realistic, graded perturbations to golden workflows. WorkflowPerturb contains 4,973 golden workflows and 44,757 perturbed variants across three perturbation types (Missing Steps, Compressed Steps, and Description Changes), each applied at severity levels of 10%, 30%, and 50%. We benchmark multiple metric families and analyze their sensitivity and calibration using expected score trajectories and residuals. Our results characterize systematic differences across metric families and support severity-aware interpretation of workflow evaluation scores in change-management settings. Our dataset will be released upon acceptance.

This paper introduces LegalRikai: Open Benchmark, a new benchmark comprising four complex tasks that emulate Japanese corporate legal practices. The benchmark was created by legal professionals under the supervision of an attorney. This benchmark has 100 samples that require long-form, structured outputs, and we evaluated them against multiple practical criteria. We conducted both human and automated evaluations using leading LLMs, including GPT-5, Gemini 2.5 Pro, and Claude Opus 4.1. Our human evaluation revealed that abstract instructions prompted unnecessary modifications, highlighting model weaknesses in document-level editing that were missed by conventional short-text tasks. Furthermore, our analysis reveals that automated evaluation aligns well with human judgment on criteria with clear linguistic grounding, and assessing structural consistency remains a challenge. The result demonstrates the utility of automated evaluation as a screening tool when expert availability is limited. We propose a dataset evaluation framework to promote more practice-oriented research in the legal domain.

Scientific machine learning papers typically make computational claims, e.g., that the relative mean square error is less than 5% or that the 95% predictive credible interval covers the test data. A coding agent can be prompted to replicate those claims from paper materials alone, but the prompt does not by itself reliably preserve progress or check whether generated evidence supports the paper's claims. We introduce Paper-replication, a workflow that makes each selected paper claim a target with recorded evidence, and implement it as a coding-agent skill. The workflow makes the agent record those targets, reconstruct the paper's method, run computational experiments, link generated outputs to provenance and comparisons with the paper's claims, record where matched evidence appears in the replication report, and pass validation checks before completion. We evaluate Paper-replication on twelve independent runs across four scientific machine learning papers. All twelve workspaces pass the completion gate, and all 158 recorded targets are matched with report coverage. Even in this completed workspace state, repeated runs differ in how papers are divided into targets, in numerical fidelity to the source papers, in elapsed replication time, in the number of intermediate executions replaced before final evidence is accepted, and in the rules used to accept evidence. Paper-replication makes completion depend on workspace evidence and validation checks rather than on the agent's final message.

Analyzing Open Source Intelligence (OSINT) from large volumes of data is critical for drafting and publishing comprehensive CTI reports. This process usually follows a three-stage workflow -- triage, deep search and TI drafting. While Large Language Models (LLMs) offer a promising route toward automation, existing benchmarks still have limitations. These benchmarks often consist of tasks that do not reflect real-world analyst workflows. For example, human analysts rarely receive tasks in the form of multiple-choice questions. Also, existing benchmarks often rely on model-centric metrics that emphasize lexical overlap rather than actionable, detailed insights essential for security analysts. Moreover, they typically fail to cover the complete three-stage workflow. To address these issues, we introduce CyberThreat-Eval, which is collected from the daily CTI workflow of a world-leading company. This expert-annotated benchmark assesses LLMs on practical tasks across all three stages as mentioned above. It utilizes analyst-centric metrics that measure factual accuracy, content quality, and operational costs. Our evaluation using this benchmark reveals important insights into the limitations of current LLMs. For example, LLMs often lack the nuanced expertise required to handle complex details and struggle to distinguish between correct and incorrect information. To address these challenges, the CTI workflow incorporates both external ground-truth databases and human expert knowledge. TRA allows human experts to iteratively provide feedback for continuous improvement. The code is available at https://github.com/xschen-beb/CyberThreat-Eval{GitHub} and https://huggingface.co/datasets/xse/CyberThreat-Eval{HuggingFace}.

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.

Business Process Management Systems (BPMS) represent a technology that automates business processes, connecting users to their tasks. There are many business processes within the port activity that can be improved through the use of more efficient technologies and BPMS in particular, which can help to coordinate and automate critical processes such as cargo manifests, customs declaration the management of scales, or dangerous goods, traditionally supported by EDI technologies. These technologies could be integrated with BPMS, modernizing port logistics management. The aim of this work is to demonstrate, through a systematic analysis of the literature, the state of the art in BPMS research in the port industry. For this, a systematic review of the literature of the last ten years was carried out. The works generated by the search were subsequently analysed and filtered. After the investigation, it is discovered that the relationship between BPMS and the port sector is practically non-existent which represents an important gap to be covered and a future line of research.

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.

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.

Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.

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

PURPOSE: Surgical workflow and skill analysis are key technologies for the next generation of cognitive surgical assistance systems. These systems could increase the safety of the operation through context-sensitive warnings and semi-autonomous robotic assistance or improve training of surgeons via data-driven feedback. In surgical workflow analysis up to 91% average precision has been reported for phase recognition on an open data single-center dataset. In this work we investigated the generalizability of phase recognition algorithms in a multi-center setting including more difficult recognition tasks such as surgical action and surgical skill. METHODS: To achieve this goal, a dataset with 33 laparoscopic cholecystectomy videos from three surgical centers with a total operation time of 22 hours was created. Labels included annotation of seven surgical phases with 250 phase transitions, 5514 occurences of four surgical actions, 6980 occurences of 21 surgical instruments from seven instrument categories and 495 skill classifications in five skill dimensions. The dataset was used in the 2019 Endoscopic Vision challenge, sub-challenge for surgical workflow and skill analysis. Here, 12 teams submitted their machine learning algorithms for recognition of phase, action, instrument and/or skill assessment. RESULTS: F1-scores were achieved for phase recognition between 23.9% and 67.7% (n=9 teams), for instrument presence detection between 38.5% and 63.8% (n=8 teams), but for action recognition only between 21.8% and 23.3% (n=5 teams). The average absolute error for skill assessment was 0.78 (n=1 team). CONCLUSION: Surgical workflow and skill analysis are promising technologies to support the surgical team, but are not solved yet, as shown by our comparison of algorithms. This novel benchmark can be used for comparable evaluation and validation of future work.

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.

We introduce a finance & accounting benchmark (Finch) for evaluating AI agents on real-world, enterprise-grade professional workflows -- interleaving data entry, structuring, formatting, web search, cross-file retrieval, calculation, modeling, validation, translation, visualization, and reporting. Finch is sourced from authentic enterprise workspaces at Enron (15,000 spreadsheets and 500,000 emails from 150 employees) and other financial institutions, preserving in-the-wild messiness across multimodal artifacts (text, tables, formulas, charts, code, and images) and spanning diverse domains such as budgeting, trading, and asset management. We propose a workflow construction process that combines LLM-assisted discovery with expert annotation: (1) LLM-assisted, expert-verified derivation of workflows from real-world email threads and version histories of spreadsheet files, and (2) meticulous expert annotation for workflows, requiring over 700 hours of domain-expert effort. This yields 172 composite workflows with 384 tasks, involving 1,710 spreadsheets with 27 million cells, along with PDFs and other artifacts, capturing the intrinsically messy, long-horizon, knowledge-intensive, and collaborative nature of real-world enterprise work. We conduct both human and automated evaluations of frontier AI systems including GPT 5.1, Claude Sonnet 4.5, Gemini 3 Pro, Grok 4, and Qwen 3 Max, and GPT 5.1 Pro spends 16.8 minutes per workflow yet passes only 38.4% of workflows, while Claude Sonnet 4.5 passes just 25.0%. Comprehensive case studies further surface the challenges that real-world enterprise workflows pose for AI agents.

Scientific workflow management systems (WMS) support scalable and reproducible execution of complex pipelines, but workflow design, implementation, and debugging remain largely manual and require significant expertise. Recent approaches using large language models (LLMs) show promise for workflow generation from natural language, but often rely on direct code synthesis, which limits transparency, reproducibility, and integration with workflow systems. We present an AI-assisted approach to scientific workflow management that combines specification-driven workflow generation, automated debugging, and distributed execution. The method introduces a structured specification phase that separates workflow intent, design, and implementation, allowing validation prior to code generation. We also develop an LLM-based debugging agent that diagnoses and resolves failures across multiple system layers. To support distributed execution and user interaction, we integrate Pegasus, a widely used WMS, with a Model Context Protocol (MCP) layer, providing a unified interface for workflow submission, monitoring, and control. We evaluate the approach using a federated learning workflow for medical imaging, chosen for its parallel, iterative, and dependency-intensive structure. The system generated and executed large-scale workflows with thousands of jobs, reduced debugging effort, and allowed non-expert users to construct workflows with expert-level design patterns. These results indicate that end-to-end AI-assisted workflow generation and execution is feasible, and point toward AI-driven platforms for managing the scientific workflow lifecycle.

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.

We introduce QualityFlow, a dynamic agentic workflow for program synthesis. Given the English description of a programming problem and a set of unit tests, the model's goal is to synthesize the correct program that solves the problem and passes the tests. QualityFlow includes large language model (LLM) agents resembling a software development team, including code generation, testing, and self-debugging. We propose the LLM Quality Checker, which explicitly "imagines" whether the synthesized programs' execution would conform to the unit tests. The Quality Checks dynamically control the workflow, including actions to submit the final answer, clarify the problem statement, and revert previous workflow steps. Our experiments show that the Quality Checker can precisely accept any correct program, mitigate faulty synthesized tests, and prevent potential workflow deviation. QualityFlow establishes the state-of-the-art results on four program synthesis benchmarks: MBPP, HumanEval, and stricter evaluations from MBPP-EvalPlus and HumanEval-EvalPlus.

Recent advances in foundation models have enabled AI scientists to automate increasingly complete research workflows, from hypothesis generation and code execution to manuscript preparation. Yet workflow coverage alone does not provide access to the full evidence on which scientific discovery depends. Existing systems typically reason over text, code, labels, or precomputed summaries, leaving scientifically decisive spatial, temporal, cross-channel, and procedural relations unavailable to the agent. We introduce OmniScientist, an end-to-end, omni-modal AI scientist that conducts multidisciplinary research directly from heterogeneous raw evidence. A perception layer and 3 autonomous agents for ideation, experiment, and writeup operate within a deterministic pipeline, allowing observations to shape research questions, experimental decisions, and final claims throughout the research lifecycle. By running idea, rigour, and claim checks in code, the system enforces novelty screening, statistical validity, execution provenance, and numerical traceability. We evaluate OmniScientist on 36 real-data cases spanning 5 discipline families, 4 families of scientific evidence, and modalities including images, signals, audio, video, 3-D structures, trajectories, tables, formulae, and graphs. The system completes the full path from raw data to a compiled manuscript in all 36 cases and achieves a mean overall paper score of 6.3 with the reference reasoning backbone. In paired comparisons against a blind variant that receives only precomputed scalar features, direct perception improves all 7 evaluation dimensions and wins 85% of head-to-head judgments. These results show that lifecycle-wide perception is essential for evidence-grounded scientific discovery and provides a practical path toward broadly capable AI scientists.

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.

Predictive models in biomedicine depend on structured assay data locked in the text, tables, and supplements of primary publications. This bottleneck is especially acute in targeted protein degradation (TPD), where each assay record must combine compound identity, degradation target, recruiter, assay context, and endpoint values reported across sections, tables, and supplementary files. Inconsistent compound identifiers and incomplete or implicit assay context further demand domain-specific logic that generic LLM pipelines do not provide. Existing molecular glue and PROTAC databases are manually curated and often lack the experimental context required for downstream modeling. We formulate TPD database extraction as a domain-specific curation task and present an expert-in-the-loop LLM workflow, evaluated through a triangular comparison among LLM predictions, standardized baseline records, and expert-annotated ground truth. A lightweight cross-validated prompt-refinement module adapts extraction instructions from scarce expert annotations. With only seven annotated molecular glue publications, the workflow achieved record-level F_1 = 0.98 and transferred to PROTACs by terminology substitution alone, maintaining record-level F_1 > 0.93. Applied at scale, it expanded molecular glue and PROTAC databases by 81% and 92% records, respectively, with 92% and 82.5% of newly recovered records validated as correct upon expert review. The workflow also recovered kinetic and assay-context information essential for cross-study potency comparison and condition-aware degradation modeling. We release the workflow, prompts, evaluation code, and extracted datasets as resources for TPD data curation and AI-assisted scientific curation more broadly.

Scientific work increasingly spans heterogeneous artifacts -- papers, code, datasets, scientific file formats, model outputs, figures, manuscripts, and team decisions -- yet general-purpose AI assistants rarely preserve these objects as a coherent, auditable research state. We present SciForge, a multimodal research-native AI workbench that reserves the graphical interface for human judgment while search, parsing, model routing, workflow execution, plotting, writing, and presentation generation run as modular agent-accessible services. SciForge is built around five pillars: (i) goal-scoped scientific decision governance for goal-oriented research, with review gates and shared review surfaces; (ii) translate-then-reason for multimodal input, routing scientific objects through domain translators before the agent reasons; (iii) evidence governance for auditable traceability, linking claims to provenance chains and audit findings; (iv) collaborative team science for collaborative research, enabling multi-role decision governance, with shared team workspaces planned for future releases; and (v) real-world application scenarios for practical impact, demonstrated through eight end-to-end user cases, with flagship demonstrations including multi-day agentic research sprints for gene discovery, AI-guided de novo protein design, molecular optimization, and genome-to-BGC discovery. The system combines a thin interaction layer, contextual research capability patterns, an Agent Runtime and Workflow Engine, an Evidence-DAG audit sidecar and a Scientific Model Router. SciForge currently runs as a desktop application, with mobile supervision support; future releases will deepen team collaboration. The system is open-source and available at https://github.com/AGI4Sci/SciForge

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.

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

Many biological discovery problems require experiments to be selected sequentially under constrained budgets. CRISPR screening is a prominent example, as exhaustive perturbation testing is often infeasible and candidate perturbations must instead be prioritized over multiple experimental rounds. Despite the importance of this problem, existing benchmarks for adaptive hit discovery remain limited in scale and diversity. Here, we introduce AssayBench-Loop, a large-scale benchmark for adaptive hit discovery comprising 1,389 CRISPR screens across five phenotype categories. Beyond enabling systematic evaluation, its scale makes it possible to learn acquisition strategies across historical experiments. Building on this resource, we introduce AssayLoop, a sequential experimental design framework combining AssayFormer, a transformer-based amortized acquisition policy trained across historical screens to adapt from experimental feedback, with LLM-derived biological priors through an adaptive handoff. In this view, completed experiments become training data for learning how accumulated evidence should guide what to test next, while LLMs provide prior biological knowledge to seed the search. We further introduce AssayLLM, showing that the same principle can be extended directly to an LLM through task-specific post-training. On temporally held-out screens, AssayLoop achieves a 5.67-fold enrichment over random selection and recovers 27.7% of hits after assaying approximately 5% of the candidate library, outperforming existing adaptive-design methods and standalone LLMs, and AssayFormer alone. Performance improves with increasing historical training data and transfers to phenotype categories excluded from training. These results demonstrate the value of learning acquisition policies across historical experiments and combining them with broad biological priors for efficient adaptive hit discovery.

In agentic scientific machine learning (SciML), large language model (LLM) agents can discover surrogate models and select one by an automated score, typically an error metric. A low error, however, does not establish that the predicted fields satisfy the physics that matter for mechanics, such as boundary conditions, superposition, stiffness scaling, or causality. We introduce Physics-Audited Agentic SciML (PA-SciML), a verification-first workflow for agentic SciML discovery. The workflow fixes a scoring evaluator before search, derives reviewable machine-checkable physics requirements, checks each trained candidate on its outputs, and separately searches prescribed input ranges or measured load-history spans for high-violation cases without reference solution fields. A surrogate is reported as verified only under the stated checks. When enabled, the workflow also adds advisory numerical probes before training and tests one modeling change at a time to record which isolated edits are associated with score gains before reuse. In the reported computational-solid-mechanics numerical examples, the static elasticity run selects a surrogate with lower validation error than the error-only baseline while both selected models pass the common linear-elastic checks. In the transient elastodynamics run, an error-only baseline with similar mean error fails a stricter causality check by responding to future parts of the loading history, while the selected surrogate passes the stated checks. The main distinction is per-candidate physics evidence on predicted fields, not a richer aggregate score.

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.

In professional life sciences workflows, scientists routinely interpret visual artifacts (gel blots, microscopy images, plasmid maps, flow cytometry plots, molecular structures, ...) to inform research decisions. We introduce VIALS, a visual question-answering benchmark with 161 such interpretation tasks, spanning the types of artifacts examined throughout experimental workflows in the biotech industry (rather than polished figures from publications and textbooks). While frontier vision-language models can now fluently describe natural images, we find that they are unable to accurately interpret these scientific images, reflecting limitations in domain knowledge and domain-specific visual reasoning capabilities. In contrast, scientists with relevant domain expertise find these visual interpretation tasks straightforward. AI that cannot similarly interpret such images will have limited utility in professional life sciences workflows, where such artifacts are central to how scientists reason, communicate, and make decisions.

We introduce PhysicianBench, a benchmark for evaluating LLM agents on physician tasks grounded in real clinical setting within electronic health record (EHR) environments. Existing medical agent benchmarks primarily focus on static knowledge recall, single-step atomic actions, or action intent without verifiable execution against the environment. As a result, they fail to capture the long-horizon, composite workflows that characterize real clinical systems. PhysicianBench comprises 100 long-horizon tasks adapted from real consultation cases between primary care and subspecialty physicians, with each task independently reviewed by a separate panel of physicians. Tasks are instantiated in an EHR environment with real patient records and accessed through the same standard APIs used by commercial EHR vendors. Tasks span 21 specialties (e.g., cardiology, endocrinology, oncology, psychiatry) and diverse workflow types (e.g., diagnosis interpretation, medication prescribing, treatment planning), requiring an average of 27 tool calls per task. Solving each task requires retrieving data across encounters, reasoning over heterogeneous clinical information, executing consequential clinical actions, and producing clinical documentation. Each task is decomposed into structured checkpoints (670 in total across the benchmark) capturing distinct stages of completion graded by task-specific scripts with execution-grounded verification. Across 13 proprietary and open-source LLM agents, the best-performing model achieves only 46% success rate (pass@1), while open-source models reach at most 19%, revealing a substantial gap between current agent capabilities and the demands of real-world clinical workflows. PhysicianBench provides a realistic and execution-grounded benchmark for measuring progress toward autonomous clinical 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.

Customer-service LLM agents must follow organizational policy when acting on a user's behalf. Compliance failures arise from either forbidden actions, such as granting an ineligible change, or omitted procedural requirements, such as identification or confirmation. Runtime safeguards can intervene on risky actions, but action-local checks do not guide an agent through a multi-step procedure. Workflow-following systems support prescribed process execution, but primarily target workflow completion rather than safeguarding agent behavior. PolicyGuide instead compiles each domain policy into a workflow graph and invokes a proactive verifier at user-turn boundaries. From persisted graph state, the verifier reconciles open requests and returns step-specific remediation along a policy-compliant path. Across the τ^2-bench airline, retail, and telecom domains with a GPT-5.4 agent and verifier, PolicyGuide raises mean Pass^4 from 0.42 to 0.62, with the largest gain on telecom (0.19 to 0.61), the most workflow-structured domain. The same workflows transfer to Claude Sonnet 4.6 and Gemini 2.5 Pro agents. Complementary evaluations find the lowest observed attack-success rate under adversarial users and the strongest procedural compliance in an author-designed workflow-level validation.

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.

Data cleaning is a time-consuming and error-prone manual process, even with modern workflow tools such as OpenRefine. We present AutoDCWorkflow, an LLM-based pipeline for automatically generating data-cleaning workflows. The pipeline takes a raw table and a data analysis purpose, and generates a sequence of OpenRefine operations designed to produce a minimal, clean table sufficient to address the purpose. Six operations correspond to common data quality issues, including format inconsistencies, type errors, and duplicates. To evaluate AutoDCWorkflow, we create a benchmark with metrics assessing answers, data, and workflow quality for 142 purposes using 96 tables across six topics. The evaluation covers three key dimensions: (1) Purpose Answer: can the cleaned table produce a correct answer? (2) Column (Value): how closely does it match the ground truth table? (3) Workflow (Operations): to what extent does the generated workflow resemble the human-curated ground truth? Experiments show that Llama 3.1, Mistral, and Gemma 2 significantly enhance data quality, outperforming the baseline across all metrics. Gemma 2-27B consistently generates high-quality tables and answers, while Gemma 2-9B excels in producing workflows that closely resemble human-annotated versions.

Professional-document review is a constraint-checking problem in which decisions depend on relations among text, geometry, pages, and document revisions. We present an evidence-grounded pipeline that normalizes extracted facts, executes four-state rules deterministically, retains source spans, and escalates unresolved cases. We evaluate its PDF evidence allocator on 160 reference-based tasks from 29 construction projects using a repeated four-system test and a disjoint two-system breadth extension. In the repeated test, reallocating a four-image budget from retrieved page overviews to one overview and three overlapping tiles improves project-family standardized decision accuracy by 10.6 percentage points (95% project-cluster bootstrap CI: 4.3 to 18.0; exact p = 0.031). This effect does not persist in the broader block: Region-RAG changes accuracy by -4.1 points (95% CI: -10.2 to 1.9; exact p = 0.209), while an equal-image sensitivity favors page breadth. Exact finding-set recovery remains low, false passes remain common, and repeated-run agreement is poorly calibrated. The results identify a resolution-breadth trade-off rather than a universal advantage for region-focused evidence, motivating rule-aware evidence routing and expert review.

Patient recruitment is challenging for clinical trials. We introduce TrialGPT, an end-to-end framework for zero-shot patient-to-trial matching with large language models. TrialGPT comprises three modules: it first performs large-scale filtering to retrieve candidate trials (TrialGPT-Retrieval); then predicts criterion-level patient eligibility (TrialGPT-Matching); and finally generates trial-level scores (TrialGPT-Ranking). We evaluate TrialGPT on three cohorts of 183 synthetic patients with over 75,000 trial annotations. TrialGPT-Retrieval can recall over 90% of relevant trials using less than 6% of the initial collection. Manual evaluations on 1,015 patient-criterion pairs show that TrialGPT-Matching achieves an accuracy of 87.3% with faithful explanations, close to the expert performance. The TrialGPT-Ranking scores are highly correlated with human judgments and outperform the best-competing models by 43.8% in ranking and excluding trials. Furthermore, our user study reveals that TrialGPT can reduce the screening time by 42.6% in patient recruitment. Overall, these results have demonstrated promising opportunities for patient-to-trial matching with TrialGPT.

At present, executable visual workflows have emerged as a mainstream paradigm in real-world industrial deployments, offering strong reliability and controllability. However, in current practice, such workflows are almost entirely constructed through manual engineering: developers must carefully design workflows, write prompts for each step, and repeatedly revise the logic as requirements evolve-making development costly, time-consuming, and error-prone. To study whether large language models can automate this multi-round interaction process, we introduce Chat2Workflow, a benchmark for generating executable visual workflows directly from natural language, and propose a robust agentic framework to mitigate recurrent execution errors. Chat2Workflow is built from a large collection of real-world business workflows, with each instance designed so that the generated workflow can be transformed and directly deployed to practical workflow platforms such as Dify and Coze. Experimental results show that while state-of-the-art language models can often capture high-level intent, they struggle to generate correct, stable, and executable workflows, especially under complex or changing requirements. Although our agentic framework yields up to 5.34% resolve rate gains, the remaining real-world gap positions Chat2Workflow as a foundation for advancing industrial-grade automation. Code is available at https://github.com/zjunlp/Chat2Workflow.

We present and evaluate LeanFlow, an LLM agent system specialized for translating mathematical papers into buildable Lean projects. Recent verifier-in-the-loop systems show that large formal artifacts can be produced, but it remains unclear which runtime mechanisms affect completion, auditability, or efficiency in document-to-project formalization. We study this question through case studies on two previously unformalized mathematical papers in number theory and measure theory, using model, proof-workflow, and toolset ablations with Kimi2.6 and GPT5.5; we report task outcome, API calls, input tokens, and output tokens. With Kimi2.6, the full workflow completes both document-level projects within the 2000-call budget, while no-queue variants reach the budget limit; with GPT5.5, all document-level variants complete, and the full workflow has the lowest or tied-lowest input-token cost on both sources. As complementary calibration, LeanFlow reaches 75.7% BEq+ on the PFR slice of RLM25 and solves all five ICML 2026 AI for Math TCS challenge projects in our GPT5.5 runs.

Working agents need to read diverse files, coordinate tools, and produce deliverables. Training such agents requires tasks built on many real files with verifiable results, but few pipelines exist to synthesize this kind of data. Existing pipelines either generate files with models, which lack realism and diversity, or build tasks on real files without task-specific verifiers, leaving result quality unchecked. We introduce GraphForge, an evidence-graph based framework that grounds both the task and its verification in real files. Starting from occupation-grounded seeds for controlled diversity, GraphForge assembles a workspace of real files for each seed and builds an evidence graph over their relations. Since the task statement and rubrics are both derived from this graph, task requirements are backed by the workspace files and each criterion is anchored to the files needed to verify it. An initial rollout further tests executability, and a revision agent repairs the task and rubrics against the original files before trajectories are collected. Fine-tuning Qwen3.6-27B on 2,169 GraphForge trajectories brings GDPVal to 1445.7 (+65.7) under OpenHands, and Workspace-Bench-Lite and SpreadsheetBench II to 63.7 (+7.7) and 24.0 (+13.7) under Claude Code. Rejection fine-tuning on the SFT model's own rollouts, with candidates selected by the evidence-anchored rubrics, yields further improvements on all three benchmarks, suggesting that the rubrics provide a useful selection signal. The data and models are available.

Text-to-SQL has recently achieved impressive progress, yet remains difficult to apply effectively in real-world scenarios. This gap stems from the reliance on single static workflows, fundamentally limiting scalability to out-of-distribution and long-tail scenarios. Instead of requiring users to select suitable methods through extensive experimentation, we attempt to enable systems to adaptively construct workflows at inference time. Through theoretical and empirical analysis, we demonstrate that optimal dynamic policies consistently outperform the best static workflow, with performance gains fundamentally driven by heterogeneity across candidate workflows. Motivated by this, we propose SquRL, a reinforcement learning framework that enhances LLMs' reasoning capability in adaptive workflow construction. We design a rule-based reward function and introduce two effective training mechanisms: dynamic actor masking to encourage broader exploration, and pseudo rewards to improve training efficiency. Experiments on widely-used Text-to-SQL benchmarks demonstrate that dynamic workflow construction consistently outperforms the best static workflow methods, with especially pronounced gains on complex and out-of-distribution queries. The codes are available at https://github.com/Satissss/SquRL

Clinical evidence, derived from rigorous research and data analysis, provides healthcare professionals with reliable scientific foundations for informed decision-making. Integrating clinical evidence into real-time practice is challenging due to the enormous workload, complex professional processes, and time constraints. This highlights the need for tools that automate evidence synthesis to support more efficient and accurate decision making in clinical settings. This study introduces Quicker, an evidence-based clinical decision support system powered by large language models (LLMs), designed to automate evidence synthesis and generate clinical recommendations modeled after standard clinical guideline development processes. Quicker implements a fully automated chain that covers all phases, from questions to clinical recommendations, and further enables customized decision-making through integrated tools and interactive user interfaces. To evaluate Quicker's capabilities, we developed the Q2CRBench-3 benchmark dataset, based on clinical guideline development records for three different diseases. Experimental results highlighted Quicker's strong performance, with fine-grained question decomposition tailored to user preferences, retrieval sensitivities comparable to human experts, and literature screening performance approaching comprehensive inclusion of relevant studies. In addition, Quicker-assisted evidence assessment effectively supported human reviewers, while Quicker's recommendations were more comprehensive and logically coherent than those of clinicians. In system-level testing, collaboration between a single reviewer and Quicker reduced the time required for recommendation development to 20-40 minutes. In general, our findings affirm the potential of Quicker to help physicians make quicker and more reliable evidence-based clinical decisions.

Synthesizing clinical evidence largely relies on systematic reviews of clinical trials and retrospective analyses from medical literature. However, the rapid expansion of publications presents challenges in efficiently identifying, summarizing, and updating clinical evidence. Here, we introduce TrialMind, a generative artificial intelligence (AI) pipeline for facilitating human-AI collaboration in three crucial tasks for evidence synthesis: study search, screening, and data extraction. To assess its performance, we chose published systematic reviews to build the benchmark dataset, named TrialReviewBench, which contains 100 systematic reviews and the associated 2,220 clinical studies. Our results show that TrialMind excels across all three tasks. In study search, it generates diverse and comprehensive search queries to achieve high recall rates (Ours 0.711-0.834 v.s. Human baseline 0.138-0.232). For study screening, TrialMind surpasses traditional embedding-based methods by 30% to 160%. In data extraction, it outperforms a GPT-4 baseline by 29.6% to 61.5%. We further conducted user studies to confirm its practical utility. Compared to manual efforts, human-AI collaboration using TrialMind yielded a 71.4% recall lift and 44.2% time savings in study screening and a 23.5% accuracy lift and 63.4% time savings in data extraction. Additionally, when comparing synthesized clinical evidence presented in forest plots, medical experts favored TrialMind's outputs over GPT-4's outputs in 62.5% to 100% of cases. These findings show the promise of LLM-based approaches like TrialMind to accelerate clinical evidence synthesis via streamlining study search, screening, and data extraction from medical literature, with exceptional performance improvement when working with human experts.

Process mining, i.e., a sub-field of data science focusing on the analysis of event data generated during the execution of (business) processes, has seen a tremendous change over the past two decades. Starting off in the early 2000's, with limited to no tool support, nowadays, several software tools, i.e., both open-source, e.g., ProM and Apromore, and commercial, e.g., Disco, Celonis, ProcessGold, etc., exist. The commercial process mining tools provide limited support for implementing custom algorithms. Moreover, both commercial and open-source process mining tools are often only accessible through a graphical user interface, which hampers their usage in large-scale experimental settings. Initiatives such as RapidProM provide process mining support in the scientific workflow-based data science suite RapidMiner. However, these offer limited to no support for algorithmic customization. In the light of the aforementioned, in this paper, we present a novel process mining library, i.e. Process Mining for Python (PM4Py) that aims to bridge this gap, providing integration with state-of-the-art data science libraries, e.g., pandas, numpy, scipy and scikit-learn. We provide a global overview of the architecture and functionality of PM4Py, accompanied by some representative examples of its usage.

Systematic literature review is essential for evidence-based medicine, requiring comprehensive analysis of clinical trial publications. However, the application of artificial intelligence (AI) models for medical literature mining has been limited by insufficient training and evaluation across broad therapeutic areas and diverse tasks. Here, we present LEADS, an AI foundation model for study search, screening, and data extraction from medical literature. The model is trained on 633,759 instruction data points in LEADSInstruct, curated from 21,335 systematic reviews, 453,625 clinical trial publications, and 27,015 clinical trial registries. We showed that LEADS demonstrates consistent improvements over four cutting-edge generic large language models (LLMs) on six tasks. Furthermore, LEADS enhances expert workflows by providing supportive references following expert requests, streamlining processes while maintaining high-quality results. A study with 16 clinicians and medical researchers from 14 different institutions revealed that experts collaborating with LEADS achieved a recall of 0.81 compared to 0.77 experts working alone in study selection, with a time savings of 22.6%. In data extraction tasks, experts using LEADS achieved an accuracy of 0.85 versus 0.80 without using LEADS, alongside a 26.9% time savings. These findings highlight the potential of specialized medical literature foundation models to outperform generic models, delivering significant quality and efficiency benefits when integrated into expert workflows for medical literature mining.

Language-model agents are increasingly used as persistent coworkers that assist users across multiple working days. During such workflows, the surrounding environment may change independently of the agent: new emails arrive, calendar entries shift, knowledge-base records are updated, and evidence appears across images, scanned PDFs, audio, video, and spreadsheets. Existing benchmarks do not adequately evaluate this setting because they typically run within a single static episode and remain largely text-centric. We introduce , a benchmark for coworker agents built around multi-turn multi-day tasks, a stateful sandboxed service environment whose state evolves between turns, and rule-based verification. The current release contains 100 tasks across 13 professional scenarios, executed against five stateful sandboxed services (filesystem, email, calendar, knowledge base, spreadsheet) and scored by 1537 deterministic Python checkers over post-execution service state; no LLM-as-judge is invoked during scoring. We benchmark seven frontier agent systems. The strongest model reaches 75.8 weighted score, but the best strict Task Success is only 20.0\%, indicating that partial progress is common while complete end-to-end workflow completion remains rare. Turn-level analysis shows that performance drops after the first exogenous environment update, highlighting adaptation to changing state as a key open challenge. We release the benchmark, evaluation harness, and construction pipeline to support reproducible coworker-agent evaluation.

Laboratory workflows in pharmaceutical and biomedical research encode substantial tacit knowledge -- expert judgment about failure conditions, decision branching logic, and contextual dependencies -- that remains inaccessible to protocol documents, sensor streams, and existing biomedical ontologies. We present a repeatable structured expert elicitation methodology and federated Semantic Knowledge Graph (SKG) architecture for capturing and querying this knowledge, demonstrated through deployment at the Biochemical and Cellular Pharmacology Department of Genentech. Knowledge is elicited via the Protocol Intelligence Co-pilot, a purpose-built AI interview agent that applies structured elicitation lenses to surface tacit procedural knowledge with expert-assigned confidence scores, producing graph representations across three tiers: program-level decision milestones, assay protocol knowledge, and physical execution infrastructure. Separately constructed subgraphs, exemplified by immunoassay (ELISA), quantitative mass spectrometry (LC-MS/PRM), and laboratory automation, are aligned through a shared upper ontology and queried as a single federated graph. Evaluation demonstrates seven query types structurally unavailable from any individual data source, including a cross-subgraph traversal that identifies automation-masked silent failures -- conditions where execution logs report success while scientific validity is compromised. Critically, the MASKED_BY graph relationship encodes a class of laboratory risk invisible to current informatics platforms -- the structural gap that prevents existing systems from reasoning about scientific validity. This architecture provides the semantic world model that AI laboratory agents currently lack: a queryable representation of where workflows fail silently, where human judgment is irreplaceable, and which execution assets mask rather than detect failure.

Recent advancements in Multi-modal Large Language Models (MLLMs) have led to significant progress in developing GUI agents for general tasks such as web browsing and mobile phone use. However, their application in professional domains remains under-explored. These specialized workflows introduce unique challenges for GUI perception models, including high-resolution displays, smaller target sizes, and complex environments. In this paper, we introduce ScreenSpot-Pro, a new benchmark designed to rigorously evaluate the grounding capabilities of MLLMs in high-resolution professional settings. The benchmark comprises authentic high-resolution images from a variety of professional domains with expert annotations. It spans 23 applications across five industries and three operating systems. Existing GUI grounding models perform poorly on this dataset, with the best model achieving only 18.9%. Our experiments reveal that strategically reducing the search area enhances accuracy. Based on this insight, we propose ScreenSeekeR, a visual search method that utilizes the GUI knowledge of a strong planner to guide a cascaded search, achieving state-of-the-art performance with 48.1% without any additional training. We hope that our benchmark and findings will advance the development of GUI agents for professional applications. Code, data and leaderboard can be found at https://gui-agent.github.io/grounding-leaderboard.

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

Spreadsheets are widely used for business analysis, financial modeling, reporting, and decision-making. However, most existing spreadsheet benchmarks evaluate isolated operations such as single-formula generation or local cell edits, and therefore fail to capture end-to-end workflows in realistic business settings. We introduce SpreadsheetBench 2, a workflow-level benchmark for spreadsheet agents that covers three task categories: generation, debugging, and visualization. The benchmark is constructed from authentic business data, including financial reports and corporate filings, and is annotated and validated by domain experts. The benchmark contains 321 tasks; each instance averages 11.8 worksheets and requires 593.5 cell modifications, reflecting large multi-sheet workbooks with cross-sheet dependencies. We evaluate eight frontier large language models under a unified multi-turn agent scaffold, and additionally include several LLM-based spreadsheet products as complementary baselines. Results show that current systems remain far from reliable on real-world workflows: the best model achieves 34.89\% overall task accuracy, and debugging accuracy is as low as 12.00\%. Trajectory analysis and a failure taxonomy further indicate that insufficient spreadsheet inspection and incorrect target-cell selection are the dominant bottlenecks. Together, these findings position SpreadsheetBench 2 as a challenging testbed for advancing reliable spreadsheet automation. Project page: https://spreadsheetbench.github.io/

Artificial intelligence systems for scientific discovery have demonstrated remarkable potential, yet existing approaches remain largely proprietary and operate in batch-processing modes requiring hours per research cycle, precluding real-time researcher guidance. This paper introduces Deep Research, a multi-agent system enabling interactive scientific investigation with turnaround times measured in minutes. The architecture comprises specialized agents for planning, data analysis, literature search, and novelty detection, unified through a persistent world state that maintains context across iterative research cycles. Two operational modes support different workflows: semi-autonomous mode with selective human checkpoints, and fully autonomous mode for extended investigations. Evaluation on the BixBench computational biology benchmark demonstrated state-of-the-art performance, achieving 48.8% accuracy on open response and 64.4% on multiple-choice evaluation, exceeding existing baselines by 14 to 26 percentage points. Analysis of architectural constraints, including open access literature limitations and challenges inherent to automated novelty assessment, informs practical deployment considerations for AI-assisted scientific workflows.

Optimizing LLM-based agentic workflows is challenging for scaling AI capabilities. Current methods rely on coarse, end-to-end evaluation signals and lack fine-grained signals on where to refine, often resulting in inefficient or low-impact modifications. To address these limitations, we propose JudgeFlow, an Evaluation-Judge-Optimization-Update pipeline. We incorporate reusable, configurable logic blocks into agentic workflows to capture fundamental forms of logic. On top of this abstraction, we design a dedicated Judge module that inspects execution traces particularly failed runs and assigns rank-based responsibility scores to problematic blocks. These fine-grained diagnostic signals are then leveraged by an LLM-based optimizer, which focuses modifications on the most problematic block in the workflow. Our approach improves sample efficiency, enhances interpretability through block-level diagnostics, and provides a scalable foundation for automating increasingly complex agentic workflows. We evaluate JudgeFlow on mathematical reasoning and code generation benchmarks, where JudgeFlow achieves superior performance and efficiency compared to existing methods.

Existing computer-use agent benchmarks do not fully evaluate agents acting as assistants. A useful assistant retrieves information across complex, multi-step workflows, synthesizes it into artifacts (documents, presentations, spreadsheets), and navigates program interfaces to produce a coherent final product. Such workflows demand reasoning and synthesis, decomposition of complex tasks, as well as visual and spatial understanding. To study agents on workflows like these, we introduce KNOWS, a benchmark of open-ended, complex, browser-based tasks that jointly evaluate these capabilities, with each task culminating in a produced artifact. To write tasks, we develop a task design rubric and a protocol for ensuring that tasks meet the requirements. Each task is paired with an evaluator, a program that combines deterministic checks with LLM judgments to balance the richness, reliability, and automation tradeoff inherent to agent evaluation. We evaluate and analyze frontier computer-use agents and browser-based harnesses. They achieve moderate scores on partial-success metrics, but the best performer fully succeeds in fewer than 3% of our complex, long-horizon tasks. Failures on visual steps render the resulting artifacts unusable, even when agents complete more than 50% of other evaluation steps. Our results expose limitations of current agents acting as end-to-end assistants, and call for progress on tool use, visual understanding, and long-horizon reasoning.

While progress in informal mathematics has come largely from scaling the chain-of-thought and agentic reasoning of frontier language models, formal theorem proving has increasingly relied on human-designed workflows around these models, such as planning, decomposition, and orchestrating specialized provers. This raises a bitter-lesson question: can a simple agentic loop that scales test-time compute match these workflows? The answer matters as formal verification must scale to keep up with frontier models producing research mathematics, yet new workflows rarely settle it, as their gains are often confounded with stronger models or more compute. We study this question with h1, a simple harness that gives a model an efficient interface to Lean 4 and keeps it working through verifier feedback and self-reflection, without imposing a decomposition or search structure. h1 reaches state-of-the-art results on PutnamBench, FATE-X, and FormalConjectures100-Solved, settles eight open problems in FormalConjectures, and, at matched models, matches or outperforms specialized workflows such as Goedel-Architect and AlphaProof Nexus, surprisingly showing that a single attempt (pass@1) can often scale to solve open problems. Through ablations and matched-model comparisons with Claude Code and AxProverBase, we find that simplicity alone is not enough: an efficient Lean interface largely determines cost and solve rate. We thus recommend that future work evaluate frontier models with efficient execution feedback before prescribing workflows, at the risk of bitter lessons.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, empowering them to solve practical tasks. Existing work typically empowers LLMs as tool users with a manually designed workflow, where the LLM plans a series of tools in a step-by-step manner, and sequentially executes each tool to obtain intermediate results until deriving the final answer. However, they suffer from two challenges in realistic scenarios: (1) The handcrafted control flow is often ad-hoc and constraints the LLM to local planning; (2) The LLM is instructed to use only manually demonstrated tools or well-trained Python functions, which limits its generalization to new tools. In this work, we first propose Automatic Tool Chain (ATC), a framework that enables the LLM to act as a multi-tool user, which directly utilizes a chain of tools through programming. To scale up the scope of the tools, we next propose a black-box probing method. This further empowers the LLM as a tool learner that can actively discover and document tool usages, teaching themselves to properly master new tools. For a comprehensive evaluation, we build a challenging benchmark named ToolFlow, which diverges from previous benchmarks by its long-term planning scenarios and complex toolset. Experiments on both existing datasets and ToolFlow illustrate the superiority of our framework. Analysis on different settings also validates the effectiveness and the utility of our black-box probing algorithm.

Clinical diagnosis is critical in medical practice, typically requiring a continuous and evolving process that includes primary diagnosis, differential diagnosis, and final diagnosis. However, most existing clinical diagnostic tasks are single-step processes, which does not align with the complex multi-step diagnostic procedures found in real-world clinical settings. In this paper, we propose a multi-step diagnostic task and annotate a clinical diagnostic dataset (MSDiagnosis). This dataset includes primary diagnosis, differential diagnosis, and final diagnosis questions. Additionally, we propose a novel and effective framework. This framework combines forward inference, backward inference, reflection, and refinement, enabling the LLM to self-evaluate and adjust its diagnostic results. To assess the effectiveness of our proposed method, we design and conduct extensive experiments. The experimental results demonstrate the effectiveness of the proposed method. We also provide a comprehensive experimental analysis and suggest future research directions for this task.

LLM agents are expected to complete end-to-end units of work across software tools, business services, and local workspaces. Yet many agent benchmarks freeze a curated task set at release time and grade mainly the final response, making it difficult to evaluate agents against evolving workflow demand or verify whether a task was executed. We introduce Claw-Eval-Live, a live benchmark for workflow agents that separates a refreshable signal layer, updated across releases from public workflow-demand signals, from a reproducible, time-stamped release snapshot. Each release is constructed from public workflow-demand signals, with ClawHub Top-500 skills used in the current release, and materialized as controlled tasks with fixed fixtures, services, workspaces, and graders. For grading, Claw-Eval-Live records execution traces, audit logs, service state, and post-run workspace artifacts, using deterministic checks when evidence is sufficient and structured LLM judging only for semantic dimensions. The release contains 105 tasks spanning controlled business services and local workspace repair, and evaluates 13 frontier models under a shared public pass rule. Experiments reveal that reliable workflow automation remains far from solved: the leading model passes only 66.7% of tasks and no model reaches 70%. Failures are structured by task family and execution surface, with HR, management, and multi-system business workflows as persistent bottlenecks and local workspace repair comparatively easier but unsaturated. Leaderboard rank alone is insufficient because models with similar pass rates can diverge in overall completion, and task-level discrimination concentrates in a middle band of tasks. Claw-Eval-Live suggests that workflow-agent evaluation should be grounded twice, in fresh external demand and in verifiable agent action.

Recruitment applications span diverse operations, from drafting job descriptions and interpreting queries to organizing profiles, assessing fit, and recommending candidates and jobs. Systematic LLM evaluation therefore requires task coverage that reflects this range of business needs. We introduce EHR-Bench, an open Chinese benchmark comprising twelve tasks across six capability families and five recruitment scenarios. The tasks cover generation, extraction, classification, retrieval, semantic similarity, and reciprocal ranking within one evaluation framework. An internal recruitment dataset guides task definitions, the occupation taxonomy and sampling targets, output requirements, and scoring protocols. Following these specifications, we construct 8,336 task instances from public materials and controlled augmentation, with source-aware expert review and documented provenance. We evaluate twelve LLMs through task-level, capability-level, and aggregate comparisons. Closely ranked models exhibit distinct task strengths, and performance varies across input sources, reference evidence, and candidate pools. Five shared models retain the same observed Overall ordering on a private operational reference, with variation in capability and task correspondence. EHR-Bench provides a reproducible foundation for systematic model assessment, task-specific model selection, and further research on LLMs for recruitment. The project repository is available at https://github.com/EhrBench/EHR-Bench.

In recent years, machine learning has transitioned from a field of academic research interest to a field capable of solving real-world business problems. However, the deployment of machine learning models in production systems can present a number of issues and concerns. This survey reviews published reports of deploying machine learning solutions in a variety of use cases, industries and applications and extracts practical considerations corresponding to stages of the machine learning deployment workflow. By mapping found challenges to the steps of the machine learning deployment workflow we show that practitioners face issues at each stage of the deployment process. The goal of this paper is to lay out a research agenda to explore approaches addressing these challenges.

As LLM-based applications reach millions of customers, ensuring their scalability and continuous quality improvement is critical for success. However, the current workflows for developing, maintaining, and operating (DevOps) these applications are predominantly manual, slow, and based on trial-and-error. With this paper we introduce the Generative AI Toolkit, which automates essential workflows over the whole life cycle of LLM-based applications. The toolkit helps to configure, test, continuously monitor and optimize Generative AI applications such as agents, thus significantly improving quality while shortening release cycles. We showcase the effectiveness of our toolkit on representative use cases, share best practices, and outline future enhancements. Since we are convinced that our Generative AI Toolkit is helpful for other teams, we are open sourcing it on and hope that others will use, forward, adapt and improve

WANDR (Wide ANd Deep Research) is a benchmark of 500 realistic, challenging data-collection tasks for research agents. Each task requires a system to discover a large set of entities that satisfy specified criteria (breadth), investigate each entity through multiple coordinated web searches (depth), and return independently verifiable records with supporting sources and excerpts. Tasks are represented as qualification key hierarchies that specify the entities, relationships, evidence, and required count at each level; a hierarchy with n companies, m employees per company, and k sources per employee requires n x m x k records. This structure supports diverse workflows such as market mapping, due diligence, literature review, product comparison, and talent sourcing, with targets ranging from dozens to thousands of records. WANDR replaces static gold answer sets with task-specific judges that refetch cited pages and verify each record against its evidence, allowing evaluation of current and changing facts. Record verdicts are aggregated into soft and hard precision, recall, and F1 scores that distinguish factual quality, coverage, and hierarchical completeness. The tasks are derived from de-identified product-usage logs and produced through a semi-automated pipeline with automated checks, empirical audits, and human review where needed. We evaluate six production research systems and find that the benchmark is far from saturated: at high effort, the strongest system reaches only 0.363 soft F1 and 0.133 hard F1. Performance degrades as target volume and hierarchy depth increase, with incomplete discovery, missing enrichment, and incomplete evidence construction remaining major bottlenecks. The benchmark and evaluation harness are available at https://github.com/perplexityai/wandr.

Scaling supervised training for working agents requires diverse professional tasks that yield reliable expert demonstrations. However, missing or inconsistent task information can obstruct teacher execution and weaken the resulting supervision. We propose WorkFactory, a scalable framework for constructing coherent and executable professional tasks. Starting from professional intents, information-level planning builds an information support graph to guide task instantiation, explicitly representing the dependencies and locations of information required for the intended outputs. Probe executions then identify support failures and guide repairs while preserving the intended work. We construct 112,686 tasks spanning 612 occupations and use the collected teacher trajectories to fine-tune Qwen models at 4B, 27B, and 35B-A3B scales, yielding the WorkPilot family. All three models improve over their respective base models across four professional-work benchmarks, with WorkPilot-35B-A3B improving from 879 to 1565 Elo on GDPval-AA v2.1. Scaling analyses reveal model-dependent diminishing returns, with execution length first increasing and then decreasing. Controlled component analyses show that planning and repair reduce probe-diagnosed task environment defects and improve downstream performance. The data and models are available at https://github.com/IQuestLab/WorkFactory.

End-to-end automation of realistic healthcare operations stresses three capabilities underrepresented in current benchmarks: policy density, decisions must be grounded in a large library of medical, insurance, and operational rules; Multi-role composition: a single task requires the agent to play multiple roles with handoffs; and multilateral interaction: intermediate workflow steps are multi-turn dialogs, such as peer-to-peer review and patient outreach. We introduce χ-Bench, a benchmark of long-horizon healthcare workflows across three domains: provider prior authorization, payer utilization management, and care management. Each task hands the agent a clinical case in a high-fidelity simulator of 20 healthcare apps exposed via 87 MCP tools, which it must drive to a terminal status through tool calls and writing the role's artifacts, guided by a 1,290+ document managed-care operations handbook skill. Across 30 agent harness/models configurations, the best agent resolves only 28.0% of tasks, no agent clears 20% on strict pass^3, and executing all tasks in a single session slumps the performance to 3.8%. These results raise the hypothesis that similar gaps are likely to surface in other policy-dense, role-composed, irreversible enterprise domains.

Existing AI benchmarks for software automation rarely combine cross-application coordination, autonomous API discovery, and policy adherence. Real business workflows demand all three: a single task may span a CRM, inbox, calendar, and messaging platform - requiring the agent to find the right endpoints, follow a policy document, and write correct data to each system. To address this gap, we introduce AutomationBench, a benchmark for evaluating AI agents on cross-application workflow orchestration via REST APIs. Drawing on real workflow patterns from Zapier's platform, tasks span Sales, Marketing, Operations, Support, Finance, and HR domains. Agents must discover relevant endpoints themselves, follow layered business rules, and navigate environments with irrelevant and sometimes misleading records. Grading is programmatic and end-state only: whether the correct data ended up in the right systems. Even the best frontier models currently score below 10%. AutomationBench provides a challenging, realistic measure of where current models stand relative to the agentic capabilities businesses actually need.

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.

Online medical consultation (OMC) restricts doctors to gathering patient information solely through inquiries, making the already complex sequential decision-making process of diagnosis even more challenging. Recently, the rapid advancement of large language models has demonstrated a significant potential to transform OMC. However, most studies have primarily focused on improving diagnostic accuracy under conditions of relatively sufficient information, while paying limited attention to the "inquiry" phase of the consultation process. This lack of focus has left the relationship between "inquiry" and "diagnosis" insufficiently explored. In this paper, we first extract real patient interaction strategies from authentic doctor-patient conversations and use these strategies to guide the training of a patient simulator that closely mirrors real-world behavior. By inputting medical records into our patient simulator to simulate patient responses, we conduct extensive experiments to explore the relationship between "inquiry" and "diagnosis" in the consultation process. Experimental results demonstrate that inquiry and diagnosis adhere to the Liebig's law: poor inquiry quality limits the effectiveness of diagnosis, regardless of diagnostic capability, and vice versa. Furthermore, the experiments reveal significant differences in the inquiry performance of various models. To investigate this phenomenon, we categorize the inquiry process into four types: (1) chief complaint inquiry; (2) specification of known symptoms; (3) inquiry about accompanying symptoms; and (4) gathering family or medical history. We analyze the distribution of inquiries across the four types for different models to explore the reasons behind their significant performance differences. We plan to open-source the weights and related code of our patient simulator at https://github.com/LIO-H-ZEN/PatientSimulator.

Tool-using agents make consequential changes to external state, yet correct outcomes do not guarantee that their actions were supported by evidence established beforehand. We study where this evidence-to-action chain breaks as agents move from deciding whether to act to executing single actions and dependent workflows. Across ten model-harness configurations, strong static action assessment can coexist with much weaker interactive execution. Failures often begin before execution: agents stop with incomplete investigation or act before required evidence is established. Once required evidence is obtained, single-action execution is usually reliable, while multi-action workflows additionally expose unresolved prerequisites and incomplete execution. For this analysis, we introduce SafeActBench, comprising 656 cases across six operational domains and five protocols that progress from static action judgment and investigated non-action to single- and multi-action workflows. A provenance-bound Evidence Ledger and deterministic trajectory evaluator track what information was established, when actions occurred, and whether downstream dependencies were satisfied. These results show that failures arise not only from missing information, but also from how agents use established evidence when deciding and executing actions.

With the deep integration of artificial intelligence and interactive technology, Graphical User Interface (GUI) Agent, as the carrier connecting goal-oriented natural language and real-world devices, has received widespread attention from the community. Contemporary benchmarks aim to evaluate the comprehensive capabilities of GUI agents in GUI operation tasks, generally determining task completion solely by inspecting the final screen state. However, GUI operation tasks consist of multiple chained steps while not all critical information is presented in the final few pages. Although a few research has begun to incorporate intermediate steps into evaluation, accurately and automatically capturing this process information still remains an open challenge. To address this weakness, we introduce ProBench, a comprehensive mobile benchmark with over 200 challenging GUI tasks covering widely-used scenarios. Remaining the traditional State-related Task evaluation, we extend our dataset to include Process-related Task and design a specialized evaluation method. A newly introduced Process Provider automatically supplies accurate process information, enabling presice assessment of agent's performance. Our evaluation of advanced GUI agents reveals significant limitations for real-world GUI scenarios. These shortcomings are prevalent across diverse models, including both large-scale generalist models and smaller, GUI-specific models. A detailed error analysis further exposes several universal problems, outlining concrete directions for future improvements.

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.

LLM-generated reviews for scientific papers are gaining considerable traction and are even being officially piloted by major conferences. We have to assume that not only reviewers are using LLM-assistance, but also that authors use LLMs to revise their papers before submitting. In this work, we perform empirical experiments on papers from the 2025 ACL Rolling Review (ARR) to evaluate LLM reviews from both the author and the reviewer perspective. First, we identify a limited alignment of LLM reviews with human ones. In the best-case scenario, the alignment is reasonable. However, we also find that LLM-human alignment varies substantially across prompts and models. Finally, we investigate the scenario in which the author uses an iterative draft-revise workflow to improve the submission according to the LLM review. We find that this "gaming" of LLM reviews can be effective in specific scenarios, leading to a statistically significant increase of overall scores for up to 35\% of papers. We publish our code: https://github.com/uhh-hcds/reviewarcade.

AI has long assisted scientific research, but the rapid advance of LLMs and agentic scaffolds is reshaping the landscape; a single system can now carry whole-stage research from an initial hypothesis all the way to final published paper, which is a paradigm now referred to as AutoResearch. Existing evaluations reveal little about how these agents operate or where they break down. Tasks are narrowly-scoped, evaluation measures performance but not process, and failure diagnoses lack systematic coverage or artifact-level visibility. To address this gap, we introduce AutoResearchEval, featuring 100 tasks grounded in published frontier science across 7 scientific domains and the full research lifecycle, including ideation, retrieval, execution, analysis, writing, and review. Evaluating 8 harness-model combinations yields 800 autoresearch agent trajectories, with process-level annotation. We organize these insights into AutoResearch Failure Taxonomy or ARFT, a framework of 45 empirically-grounded failure patterns. To enable scalable fine-grained attribution, we leverage a human-calibrated agent-as-a-judge pipeline to inspect complete trajectories and intermediate artifacts. Failure patterns converge on a single overarching limitation, namely that current agents lack a metacognitive loop, which entails the ability to check what they produced against what they found, revise when it does not hold up, and question whether the path they took was sound. The same patterns recur across all 8 harness-model combinations, including the strongest models tested, locating the deficit at the model level rather than in any particular scaffold; whether orchestration-level interventions can close it is an open question this work does not test. We publicly release AutoResearchEval and ARFT to facilitate continued research and development in autonomous scientific discovery.

Reward-guided search methods have demonstrated strong potential in enhancing tool-using agents by effectively guiding sampling and exploration over complex action spaces. As a core design, those search methods utilize process reward models (PRMs) to provide step-level rewards, enabling more fine-grained monitoring. However, there is a lack of systematic and reliable evaluation benchmarks for PRMs in tool-using settings. In this paper, we introduce ToolPRMBench, a large-scale benchmark specifically designed to evaluate PRMs for tool-using agents. ToolPRMBench is built on top of several representative tool-using benchmarks and converts agent trajectories into step-level test cases. Each case contains the interaction history, a correct action, a plausible but incorrect alternative, and relevant tool metadata. We respectively utilize offline sampling to isolate local single-step errors and online sampling to capture realistic multi-step failures from full agent rollouts. A multi-LLM verification pipeline is proposed to reduce label noise and ensure data quality. We conduct extensive experiments across large language models, general PRMs, and tool-specialized PRMs on ToolPRMBench. The results reveal clear differences in PRM effectiveness and highlight the potential of specialized PRMs for tool-using. Code and data will be released at https://github.com/David-Li0406/ToolPRMBench.

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.

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.

Long-horizon agents are beginning to automate complete workflows that produce code, reports, and research artifacts. Medical imaging workflows are multi-stage and data-sensitive, while expert trajectories remain scarce and difficult to share. Structured benchmarks can localize failures through stage-level rubrics, but standard post-training discards these diagnostics before the next training round. We present Benchmark-as-Teacher (BaT), a recursive self-improvement system for agent post-training. BaT contains two linked components: the asynchronous Stage Bank data pipeline and BiCuRL (Bilevel Curriculum Reinforcement Learning), its self-improving post-training method. Stage Bank synthesizes content-isolated training states outside the policy-update loop. BiCuRL uses a fixed held-out evaluation to select the next stage curriculum, verifies rollouts with task rubrics, updates the policy with GRPO, and returns the candidate checkpoint to evaluation. On AutoMedBench-Lite, BaT-4B and BaT-9B more than double the Overall scores of their Qwen Instruct baselines. BaT-9B Agent reaches 79.6 Overall, exceeding Claude Opus 4.6 with Claude Code at 77.5.