Daily Papers

We introduce MLE-Dojo, a Gym-style framework for systematically reinforcement learning, evaluating, and improving autonomous large language model (LLM) agents in iterative machine learning engineering (MLE) workflows. Unlike existing benchmarks that primarily rely on static datasets or single-attempt evaluations, MLE-Dojo provides an interactive environment enabling agents to iteratively experiment, debug, and refine solutions through structured feedback loops. Built upon 200+ real-world Kaggle challenges, MLE-Dojo covers diverse, open-ended MLE tasks carefully curated to reflect realistic engineering scenarios such as data processing, architecture search, hyperparameter tuning, and code debugging. Its fully executable environment supports comprehensive agent training via both supervised fine-tuning and reinforcement learning, facilitating iterative experimentation, realistic data sampling, and real-time outcome verification. Extensive evaluations of eight frontier LLMs reveal that while current models achieve meaningful iterative improvements, they still exhibit significant limitations in autonomously generating long-horizon solutions and efficiently resolving complex errors. Furthermore, MLE-Dojo's flexible and extensible architecture seamlessly integrates diverse data sources, tools, and evaluation protocols, uniquely enabling model-based agent tuning and promoting interoperability, scalability, and reproducibility. We open-source our framework and benchmarks to foster community-driven innovation towards next-generation MLE agents.

Recent advances in AI and ML have transformed data science, yet increasing complexity and expertise requirements continue to hinder progress. Although crowd-sourcing platforms alleviate some challenges, high-level machine learning engineering (MLE) tasks remain labor-intensive and iterative. We introduce R&D-Agent, a comprehensive, decoupled, and extensible framework that formalizes the MLE process. R&D-Agent defines the MLE workflow into two phases and six components, turning agent design for MLE from ad-hoc craftsmanship into a principled, testable process. Although several existing agents report promising gains on their chosen components, they can mostly be summarized as a partial optimization from our framework's simple baseline. Inspired by human experts, we designed efficient and effective agents within this framework that achieve state-of-the-art performance. Evaluated on MLE-Bench, the agent built on R&D-Agent ranks as the top-performing machine learning engineering agent, achieving 35.1% any medal rate, demonstrating the ability of the framework to speed up innovation and improve accuracy across a wide range of data science applications. We have open-sourced R&D-Agent on GitHub: https://github.com/microsoft/RD-Agent.

Agents based on large language models (LLMs) for machine learning engineering (MLE) can automatically implement ML models via code generation. However, existing approaches to build such agents often rely heavily on inherent LLM knowledge and employ coarse exploration strategies that modify the entire code structure at once. This limits their ability to select effective task-specific models and perform deep exploration within specific components, such as experimenting extensively with feature engineering options. To overcome these, we propose MLE-STAR, a novel approach to build MLE agents. MLE-STAR first leverages external knowledge by using a search engine to retrieve effective models from the web, forming an initial solution, then iteratively refines it by exploring various strategies targeting specific ML components. This exploration is guided by ablation studies analyzing the impact of individual code blocks. Furthermore, we introduce a novel ensembling method using an effective strategy suggested by MLE-STAR. Our experimental results show that MLE-STAR achieves medals in 64% of the Kaggle competitions on the MLE-bench Lite, significantly outperforming the best alternative.

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.

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.

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

While Language Models (LMs) have made significant progress in automating machine learning engineering (MLE), the acquisition of high-quality MLE training data is significantly constrained. Current MLE benchmarks suffer from low scalability and limited applicability because they rely on static, manually curated tasks, demanding extensive time and manual effort to produce. We introduce MLE-Smith, a fully automated multi-agent pipeline, to transform raw datasets into competition-style MLE challenges through an efficient generate-verify-execute paradigm for scaling MLE tasks with verifiable quality, real-world usability, and rich diversity. The proposed multi-agent pipeline in MLE-Smith drives structured task design and standardized refactoring, coupled with a hybrid verification mechanism that enforces strict structural rules and high-level semantic soundness. It further validates empirical solvability and real-world fidelity through interactive execution. We apply MLE-Smith to 224 of real-world datasets and generate 606 tasks spanning multiple categories, objectives, and modalities, demonstrating that MLE-Smith can work effectively across a wide range of real-world datasets. Evaluation on the generated tasks shows that the performance of eight mainstream and cutting-edge LLMs on MLE-Smith tasks is strongly correlated with their performance on carefully human-designed tasks, highlighting the effectiveness of the MLE-Smith to scaling up MLE tasks, while maintaining task quality.

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.

Automated machine learning (AutoML) is a collection of techniques designed to automate the machine learning development process. While traditional AutoML approaches have been successfully applied in several critical steps of model development (e.g. hyperparameter optimization), there lacks a AutoML system that automates the entire end-to-end model production workflow. To fill this blank, we present AutoMMLab, a general-purpose LLM-empowered AutoML system that follows user's language instructions to automate the whole model production workflow for computer vision tasks. The proposed AutoMMLab system effectively employs LLMs as the bridge to connect AutoML and OpenMMLab community, empowering non-expert individuals to easily build task-specific models via a user-friendly language interface. Specifically, we propose RU-LLaMA to understand users' request and schedule the whole pipeline, and propose a novel LLM-based hyperparameter optimizer called HPO-LLaMA to effectively search for the optimal hyperparameters. Experiments show that our AutoMMLab system is versatile and covers a wide range of mainstream tasks, including classification, detection, segmentation and keypoint estimation. We further develop a new benchmark, called LAMP, for studying key components in the end-to-end prompt-based model training pipeline. Code, model, and data will be released.

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

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.

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

Scientific discoveries increasingly rely on complex multimodal reasoning based on information-intensive scientific data and domain-specific expertise. Empowered by expert-level scientific benchmarks, scientific Multimodal Large Language Models (MLLMs) hold the potential to significantly enhance this discovery process in realistic workflows. However, current scientific benchmarks mostly focus on evaluating the knowledge understanding capabilities of MLLMs, leading to an inadequate assessment of their perception and reasoning abilities. To address this gap, we present the Scientists' First Exam (SFE) benchmark, designed to evaluate the scientific cognitive capacities of MLLMs through three interconnected levels: scientific signal perception, scientific attribute understanding, scientific comparative reasoning. Specifically, SFE comprises 830 expert-verified VQA pairs across three question types, spanning 66 multimodal tasks across five high-value disciplines. Extensive experiments reveal that current state-of-the-art GPT-o3 and InternVL-3 achieve only 34.08% and 26.52% on SFE, highlighting significant room for MLLMs to improve in scientific realms. We hope the insights obtained in SFE will facilitate further developments in AI-enhanced scientific discoveries.

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.

Recent Large Language Model (LLM)-based AutoML systems demonstrate impressive capabilities but face significant limitations such as constrained exploration strategies and a severe execution bottleneck. Exploration is hindered by one-shot methods lacking diversity and Monte Carlo Tree Search (MCTS) approaches that fail to recombine strong partial solutions. The execution bottleneck arises from lengthy code validation cycles that stifle iterative refinement. To overcome these challenges, we introduce KompeteAI, a novel AutoML framework with dynamic solution space exploration. Unlike previous MCTS methods that treat ideas in isolation, KompeteAI introduces a merging stage that composes top candidates. We further expand the hypothesis space by integrating Retrieval-Augmented Generation (RAG), sourcing ideas from Kaggle notebooks and arXiv papers to incorporate real-world strategies. KompeteAI also addresses the execution bottleneck via a predictive scoring model and an accelerated debugging method, assessing solution potential using early stage metrics to avoid costly full-code execution. This approach accelerates pipeline evaluation 6.9 times. KompeteAI outperforms leading methods (e.g., RD-agent, AIDE, and Ml-Master) by an average of 3\% on the primary AutoML benchmark, MLE-Bench. Additionally, we propose Kompete-bench to address limitations in MLE-Bench, where KompeteAI also achieves state-of-the-art results

With the development of Multimodal Large Language Models (MLLMs) technology, its general capabilities are increasingly powerful. To evaluate the various abilities of MLLMs, numerous evaluation systems have emerged. But now there is still a lack of a comprehensive method to evaluate MLLMs in the tasks related to flowcharts, which are very important in daily life and work. We propose the first comprehensive method, FlowCE, to assess MLLMs across various dimensions for tasks related to flowcharts. It encompasses evaluating MLLMs' abilities in Reasoning, Localization Recognition, Information Extraction, Logical Verification, and Summarization on flowcharts. However, we find that even the GPT4o model achieves only a score of 56.63. Among open-source models, Phi-3-Vision obtained the highest score of 49.97. We hope that FlowCE can contribute to future research on MLLMs for tasks based on flowcharts. https://github.com/360AILABNLP/FlowCE

Large foundation models have demonstrated a great ability to achieve general human-level intelligence far beyond traditional approaches. As the technique keeps attracting attention from the AI community, more and more large foundation models have become publically available. However, most of those models exhibit a major deficiency in specialized-task applications, where the step of finetuning is still required for obtaining satisfactory performance. As the number of available models and specialized tasks keeps growing, the job of general finetuning becomes highly nontrivial. In this paper, we take the first step to address this issue. We introduce an extensible and lightweight toolkit, LMFlow, which aims to simplify the finetuning and inference of general large foundation models. LMFlow offers a complete finetuning workflow for a large foundation model to support personalized training with limited computing resources. Furthermore, it supports continuous pretraining, instruction tuning, parameter-efficient finetuning, alignment tuning, and large model inference, along with carefully designed and extensible APIs. This toolkit has been thoroughly tested and is available at https://github.com/OptimalScale/LMFlow.

Background. Due to the widespread adoption of Artificial Intelligence (AI) and Machine Learning (ML) for building software applications, companies are struggling to recruit employees with a deep understanding of such technologies. In this scenario, AutoML is soaring as a promising solution to fill the AI/ML skills gap since it promises to automate the building of end-to-end AI/ML pipelines that would normally be engineered by specialized team members. Aims. Despite the growing interest and high expectations, there is a dearth of information about the extent to which AutoML is currently adopted by teams developing AI/ML-enabled systems and how it is perceived by practitioners and researchers. Method. To fill these gaps, in this paper, we present a mixed-method study comprising a benchmark of 12 end-to-end AutoML tools on two SE datasets and a user survey with follow-up interviews to further our understanding of AutoML adoption and perception. Results. We found that AutoML solutions can generate models that outperform those trained and optimized by researchers to perform classification tasks in the SE domain. Also, our findings show that the currently available AutoML solutions do not live up to their names as they do not equally support automation across the stages of the ML development workflow and for all the team members. Conclusions. We derive insights to inform the SE research community on how AutoML can facilitate their activities and tool builders on how to design the next generation of AutoML technologies.

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

Despite the great advance of Multimodal Large Language Models (MLLMs) in both instruction dataset building and benchmarking, the independence of training and evaluation makes current MLLMs hard to further improve their capability under the guidance of evaluation results with a relatively low human cost. In this paper, we propose MLLM-DataEngine, a novel closed-loop system that bridges data generation, model training, and evaluation. Within each loop iteration, the MLLM-DataEngine first analyze the weakness of the model based on the evaluation results, then generate a proper incremental dataset for the next training iteration and enhance the model capability iteratively. Compared with previous data collection methods which are separate from the benchmarking, the data generated by MLLM-DataEngine shows better targeting, quality, and correctness. For targeting, we propose an Adaptive Bad-case Sampling module, which adjusts the ratio of different types of data within each incremental dataset based on the benchmarking results. For quality, we resort to GPT-4 to generate high-quality data with each given data type. For correctness, prompt design is critical for the data generation results. Rather than previous hand-crafted prompt, we propose an Interactive Prompt Optimization strategy, which optimizes the prompt with the multi-round interaction between human and GPT, and improve the correctness of generated data greatly. Through extensive experiments, we find our MLLM-DataEngine could boost the MLLM capability in a targeted and automatic manner, with only a few human participation. We hope it could be a general solution for the following MLLMs building. The MLLM-DataEngine has been open-sourced and is now available at https://github.com/opendatalab/MLLM-DataEngine.

The rapid development of large language models (LLMs) has been witnessed in recent years. Based on the powerful LLMs, multi-modal LLMs (MLLMs) extend the modality from text to a broader spectrum of domains, attracting widespread attention due to the broader range of application scenarios. As LLMs and MLLMs rely on vast amounts of model parameters and data to achieve emergent capabilities, the importance of data is receiving increasingly widespread attention and recognition. Tracing and analyzing recent data-oriented works for MLLMs, we find that the development of models and data is not two separate paths but rather interconnected. On the one hand, vaster and higher-quality data contribute to better performance of MLLMs, on the other hand, MLLMs can facilitate the development of data. The co-development of multi-modal data and MLLMs requires a clear view of 1) at which development stage of MLLMs can specific data-centric approaches be employed to enhance which capabilities, and 2) by utilizing which capabilities and acting as which roles can models contribute to multi-modal data. To promote the data-model co-development for MLLM community, we systematically review existing works related to MLLMs from the data-model co-development perspective. A regularly maintained project associated with this survey is accessible at https://github.com/modelscope/data-juicer/blob/main/docs/awesome_llm_data.md.

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.

The remarkable success of the autoregressive paradigm has made significant advancement in Multimodal Large Language Models (MLLMs), with powerful models like Show-o, Transfusion and Emu3 achieving notable progress in unified image understanding and generation. For the first time, we uncover a common phenomenon: the understanding capabilities of MLLMs are typically stronger than their generative capabilities, with a significant gap between the two. Building on this insight, we propose HermesFlow, a simple yet general framework designed to seamlessly bridge the gap between understanding and generation in MLLMs. Specifically, we take the homologous data as input to curate homologous preference data of both understanding and generation. Through Pair-DPO and self-play iterative optimization, HermesFlow effectively aligns multimodal understanding and generation using homologous preference data. Extensive experiments demonstrate the significant superiority of our approach over prior methods, particularly in narrowing the gap between multimodal understanding and generation. These findings highlight the potential of HermesFlow as a general alignment framework for next-generation multimodal foundation models. Code: https://github.com/Gen-Verse/HermesFlow

Large language model-based machine learning (ML) agents have shown great promise in automating ML research. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where human researchers often gain insights and contribute by sharing knowledge. To bridge this gap, we introduce MLE-Live, a live evaluation framework designed to assess an agent's ability to communicate with and leverage collective knowledge from a simulated Kaggle research community. Building on this framework, we propose CoMind, a novel agent that excels at exchanging insights and developing novel solutions within a community context. CoMind achieves state-of-the-art performance on MLE-Live and outperforms 79.2% human competitors on average across four ongoing Kaggle competitions. Our code is released at https://github.com/comind-ml/CoMind.

The final goal of all industrial machine learning (ML) projects is to develop ML products and rapidly bring them into production. However, it is highly challenging to automate and operationalize ML products and thus many ML endeavors fail to deliver on their expectations. The paradigm of Machine Learning Operations (MLOps) addresses this issue. MLOps includes several aspects, such as best practices, sets of concepts, and development culture. However, MLOps is still a vague term and its consequences for researchers and professionals are ambiguous. To address this gap, we conduct mixed-method research, including a literature review, a tool review, and expert interviews. As a result of these investigations, we provide an aggregated overview of the necessary principles, components, and roles, as well as the associated architecture and workflows. Furthermore, we furnish a definition of MLOps and highlight open challenges in the field. Finally, this work provides guidance for ML researchers and practitioners who want to automate and operate their ML products with a designated set of technologies.

Machine learning research, crucial for technological advancements and innovation, often faces significant challenges due to its inherent complexity, slow pace of experimentation, and the necessity for specialized expertise. Motivated by this, we present a new systematic framework, autonomous Machine Learning Research with large language models (MLR-Copilot), designed to enhance machine learning research productivity through the automatic generation and implementation of research ideas using Large Language Model (LLM) agents. The framework consists of three phases: research idea generation, experiment implementation, and implementation execution. First, existing research papers are used to generate hypotheses and experimental plans vis IdeaAgent powered by LLMs. Next, the implementation generation phase translates these plans into executables with ExperimentAgent. This phase leverages retrieved prototype code and optionally retrieves candidate models and data. Finally, the execution phase, also managed by ExperimentAgent, involves running experiments with mechanisms for human feedback and iterative debugging to enhance the likelihood of achieving executable research outcomes. We evaluate our framework on five machine learning research tasks and the experimental results show the framework's potential to facilitate the research progress and innovations.

Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on expert intervention and repeated adjustments rather than simply generating correct code. When applied directly to these tasks, LLMs often lack fine-grained domain priors, and existing MLE approaches that use linear or tree-structured searches limit knowledge transfer to adjacent hierarchical links. As a result, they cannot leverage past full trajectories or share information across branches, limiting self-evolving ability and search space diversity. To address these limitations, we introduce AutoMLGen, an LLM-based coding agent that integrates a domain knowledge base for high-quality prior guidance and Monte Carlo Graph Search (MCGS) for efficient exploration. MCGS retains the tree-guided exploration of MCTS while embedding a graph structure into the expansion stage to enable dynamic path reorganization, historical trajectory reuse, and multi-solution fusion to support both self-evolution and collaborative learning. Combined with fine-grained operator sets, this design improves stability and accelerates convergence. Evaluation on the MLE-Bench shows that AutoMLGen achieves state-of-the-art performance in numerous dimensions, such as the average medal rate and the valid submission rate, under a 12-hour budget (half the standard runtime). The code is available at https://github.com/Alpha-Innovator/InternAgent.

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc scripts and loosely specified workflows, which lack principled abstractions, hinder reproducibility, and offer limited support for model-in-the-loop data generation. To address these challenges, we present DataFlow, a unified and extensible LLM-driven data preparation framework. DataFlow is designed with system-level abstractions that enable modular, reusable, and composable data transformations, and provides a PyTorch-style pipeline construction API for building debuggable and optimizable dataflows. The framework consists of nearly 200 reusable operators and six domain-general pipelines spanning text, mathematical reasoning, code, Text-to-SQL, agentic RAG, and large-scale knowledge extraction. To further improve usability, we introduce DataFlow-Agent, which automatically translates natural-language specifications into executable pipelines via operator synthesis, pipeline planning, and iterative verification. Across six representative use cases, DataFlow consistently improves downstream LLM performance. Our math, code, and text pipelines outperform curated human datasets and specialized synthetic baselines, achieving up to +3\% execution accuracy in Text-to-SQL over SynSQL, +7\% average improvements on code benchmarks, and 1--3 point gains on MATH, GSM8K, and AIME. Moreover, a unified 10K-sample dataset produced by DataFlow enables base models to surpass counterparts trained on 1M Infinity-Instruct data. These results demonstrate that DataFlow provides a practical and high-performance substrate for reliable, reproducible, and scalable LLM data preparation, and establishes a system-level foundation for future data-centric AI development.

We report a case study of four end-to-end attempts to autonomously generate ML research papers using a pipeline of six LLM agents mapped to stages of the scientific workflow. Of these four, three attempts failed during implementation or evaluation. One completed the pipeline and was accepted to Agents4Science 2025, an experimental inaugural venue that required AI systems as first authors, passing both human and multi-AI review. From these attempts, we document six recurring failure modes: bias toward training data defaults, implementation drift under execution pressure, memory and context degradation across long-horizon tasks, overexcitement that declares success despite obvious failures, insufficient domain intelligence, and weak scientific taste in experimental design. We conclude by discussing four design principles for more robust AI-scientist systems, implications for autonomous scientific discovery, and we release all prompts, artifacts, and outputs at https://github.com/Lossfunk/ai-scientist-artefacts-v1

Fully open multimodal large language models (MLLMs) currently lag behind proprietary counterparts, primarily due to a significant gap in data quality for supervised fine-tuning (SFT). Existing open-source datasets are often plagued by widespread noise and a critical deficit in complex reasoning data, such as Chain-of-Thought (CoT), which hinders the development of advanced model capabilities. Addressing these challenges, our work makes three primary contributions. First, we introduce Honey-Data-15M, a new SFT dataset comprising approximately 15 million QA pairs, processed through multiple cleaning techniques and enhanced with a novel dual-level (short and long) CoT enrichment strategy. Second, we introduce HoneyPipe, the data curation pipeline, and its underlying framework DataStudio, providing the community with a transparent and adaptable methodology for data curation that moves beyond static dataset releases. Finally, to validate our dataset and pipeline, we train Bee-8B, an 8B model on Honey-Data-15M. Experiments show that Bee-8B establishes a new state-of-the-art (SOTA) for fully open MLLMs, achieving performance that is competitive with, and in some cases surpasses, recent semi-open models such as InternVL3.5-8B. Our work delivers to the community a suite of foundational resources, including: the Honey-Data-15M corpus; the full-stack suite comprising HoneyPipe and DataStudio; training recipes; an evaluation harness; and the model weights. This effort demonstrates that a principled focus on data quality is a key pathway to developing fully open MLLMs that are highly competitive with their semi-open counterparts.

Recent advancements in AI agents have demonstrated their growing potential to drive and support scientific discovery. In this work, we introduce MLR-Bench, a comprehensive benchmark for evaluating AI agents on open-ended machine learning research. MLR-Bench includes three key components: (1) 201 research tasks sourced from NeurIPS, ICLR, and ICML workshops covering diverse ML topics; (2) MLR-Judge, an automated evaluation framework combining LLM-based reviewers with carefully designed review rubrics to assess research quality; and (3) MLR-Agent, a modular agent scaffold capable of completing research tasks through four stages: idea generation, proposal formulation, experimentation, and paper writing. Our framework supports both stepwise assessment across these distinct research stages, and end-to-end evaluation of the final research paper. We then use MLR-Bench to evaluate six frontier LLMs and an advanced coding agent, finding that while LLMs are effective at generating coherent ideas and well-structured papers, current coding agents frequently (e.g., in 80% of the cases) produce fabricated or invalidated experimental results--posing a major barrier to scientific reliability. We validate MLR-Judge through human evaluation, showing high agreement with expert reviewers, supporting its potential as a scalable tool for research evaluation. We open-source MLR-Bench to help the community benchmark, diagnose, and improve AI research agents toward trustworthy and transparent scientific discovery.

Background. The rapid and growing popularity of machine learning (ML) applications has led to an increasing interest in MLOps, that is, the practice of continuous integration and deployment (CI/CD) of ML-enabled systems. Aims. Since changes may affect not only the code but also the ML model parameters and the data themselves, the automation of traditional CI/CD needs to be extended to manage model retraining in production. Method. In this paper, we present an initial investigation of the MLOps practices implemented in a set of ML-enabled systems retrieved from GitHub, focusing on GitHub Actions and CML, two solutions to automate the development workflow. Results. Our preliminary results suggest that the adoption of MLOps workflows in open-source GitHub projects is currently rather limited. Conclusions. Issues are also identified, which can guide future research work.

Multimodal Large Language Models (MLLMs) have shown impressive abilities in interacting with visual content with myriad potential downstream tasks. However, even though a list of benchmarks has been proposed, the capabilities and limitations of MLLMs are still not comprehensively understood, due to a lack of a standardized and holistic evaluation framework. To this end, we present the first Comprehensive Evaluation Framework (ChEF) that can holistically profile each MLLM and fairly compare different MLLMs. First, we structure ChEF as four modular components, i.e., Scenario as scalable multimodal datasets, Instruction as flexible instruction retrieving formulae, Inferencer as reliable question answering strategies, and Metric as indicative task-specific score functions. Based on them, ChEF facilitates versatile evaluations in a standardized framework, and new evaluations can be built by designing new Recipes (systematic selection of these four components). Notably, current MLLM benchmarks can be readily summarized as recipes of ChEF. Second, we introduce 6 new recipes to quantify competent MLLMs' desired capabilities (or called desiderata, i.e., calibration, in-context learning, instruction following, language performance, hallucination, and robustness) as reliable agents that can perform real-world multimodal interactions. Third, we conduct a large-scale evaluation of 9 prominent MLLMs on 9 scenarios and 6 desiderata. Our evaluation summarized over 20 valuable observations concerning the generalizability of MLLMs across various scenarios and the composite capability of MLLMs required for multimodal interactions. We will publicly release all the detailed implementations for further analysis, as well as an easy-to-use modular toolkit for the integration of new recipes and models, so that ChEF can be a growing evaluation framework for the MLLM community.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

Data science plays a critical role in clinical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing well in general coding tests. However, these tests do not assess LLMs' ability to handle data science tasks in medicine, nor do they explore their practical utility in clinical research. To address this, we developed a dataset consisting of 293 real-world data science coding tasks, based on 39 published clinical studies, covering 128 tasks in Python and 165 tasks in R. This dataset simulates realistic clinical research scenarios using patient data. Our findings reveal that cutting-edge LLMs struggle to generate perfect solutions, frequently failing to follow input instructions, understand target data, and adhere to standard analysis practices. Consequently, LLMs are not yet ready to fully automate data science tasks. We benchmarked advanced adaptation methods and found two to be particularly effective: chain-of-thought prompting, which provides a step-by-step plan for data analysis, which led to a 60% improvement in code accuracy; and self-reflection, enabling LLMs to iteratively refine their code, yielding a 38% accuracy improvement. Building on these insights, we developed a platform that integrates LLMs into the data science workflow for medical professionals. In a user study with five medical doctors, we found that while LLMs cannot fully automate coding tasks, they significantly streamline the programming process. We found that 80% of their submitted code solutions were incorporated from LLM-generated code, with up to 96% reuse in some cases. Our analysis highlights the potential of LLMs, when integrated into expert workflows, to enhance data science efficiency in clinical research.

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.

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.

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.

The strong performance of large language models (LLMs) on natural language processing tasks raises extensive discussion on their application to code generation. Recent work suggests multiple sampling approaches to improve initial code generation accuracy or program repair approaches to refine the code. However, these methods suffer from LLMs' inefficiencies and limited reasoning capacity. In this work, we propose an LLM programming workflow (LPW) designed to improve both initial code generation and subsequent refinements within a structured two-phase workflow. Specifically, in the solution generation phase, the LLM first outlines a solution plan that decomposes the problem into manageable sub-problems and then verifies the generated solution plan through visible test cases. Subsequently, in the code implementation phase, the LLM initially drafts a code according to the solution plan and its verification. If the generated code fails the visible tests, the plan verification serves as the intended natural language solution to inform the refinement process for correcting bugs. We further introduce SLPW, a sampling variant of LPW, which initially generates multiple solution plans and plan verifications, produces a program for each plan and its verification, and refines each program as necessary until one successfully passes the visible tests. Compared to the state-of-the-art methods across various existing LLMs, our experimental results show that LPW significantly improves the Pass@1 accuracy by up to 16.4% on well-established text-to-code generation benchmarks, especially with a notable improvement of around 10% on challenging benchmarks. Additionally, SLPW demonstrates up to a 5.6% improvement over LPW and sets new state-of-the-art Pass@1 accuracy on various benchmarks, e.g., 98.2% on HumanEval, 84.8% on MBPP, 64.0% on APPS, and 35.3% on CodeContest, using GPT-4o as the backbone.

In recent years, the rapid advancement of Large Language Models (LLMs) has transformed the landscape of scientific research, offering unprecedented support across various stages of the research cycle. This paper presents the first systematic survey dedicated to exploring how LLMs are revolutionizing the scientific research process. We analyze the unique roles LLMs play across four critical stages of research: hypothesis discovery, experiment planning and implementation, scientific writing, and peer reviewing. Our review comprehensively showcases the task-specific methodologies and evaluation benchmarks. By identifying current challenges and proposing future research directions, this survey not only highlights the transformative potential of LLMs, but also aims to inspire and guide researchers and practitioners in leveraging LLMs to advance scientific inquiry. Resources are available at the following repository: https://github.com/du-nlp-lab/LLM4SR

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

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.

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

The quality of underlying training data is very crucial for building performant machine learning models with wider generalizabilty. However, current machine learning (ML) tools lack streamlined processes for improving the data quality. So, getting data quality insights and iteratively pruning the errors to obtain a dataset which is most representative of downstream use cases is still an ad-hoc manual process. Our work addresses this data tooling gap, required to build improved ML workflows purely through data-centric techniques. More specifically, we introduce a systematic framework for (1) finding noisy or mislabelled samples in the dataset and, (2) identifying the most informative samples, which when included in training would provide maximal model performance lift. We demonstrate the efficacy of our framework on public as well as private enterprise datasets of two Fortune 500 companies, and are confident this work will form the basis for ML teams to perform more intelligent data discovery and pruning.

We introduce MLE-bench, a benchmark for measuring how well AI agents perform at machine learning engineering. To this end, we curate 75 ML engineering-related competitions from Kaggle, creating a diverse set of challenging tasks that test real-world ML engineering skills such as training models, preparing datasets, and running experiments. We establish human baselines for each competition using Kaggle's publicly available leaderboards. We use open-source agent scaffolds to evaluate several frontier language models on our benchmark, finding that the best-performing setup--OpenAI's o1-preview with AIDE scaffolding--achieves at least the level of a Kaggle bronze medal in 16.9% of competitions. In addition to our main results, we investigate various forms of resource scaling for AI agents and the impact of contamination from pre-training. We open-source our benchmark code (github.com/openai/mle-bench/) to facilitate future research in understanding the ML engineering capabilities of AI agents.

Multimodal Large Language Model (MLLM) relies on the powerful LLM to perform multimodal tasks, showing amazing emergent abilities in recent studies, such as writing poems based on an image. However, it is difficult for these case studies to fully reflect the performance of MLLM, lacking a comprehensive evaluation. In this paper, we fill in this blank, presenting the first MLLM Evaluation benchmark MME. It measures both perception and cognition abilities on a total of 14 subtasks. In order to avoid data leakage that may arise from direct use of public datasets for evaluation, the annotations of instruction-answer pairs are all manually designed. The concise instruction design allows us to fairly compare MLLMs, instead of struggling in prompt engineering. Besides, with such an instruction, we can also easily carry out quantitative statistics. A total of 12 advanced MLLMs are comprehensively evaluated on our MME, which not only suggests that existing MLLMs still have a large room for improvement, but also reveals the potential directions for the subsequent model optimization.

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.

By integrating the perception capabilities of multimodal encoders with the generative power of Large Language Models (LLMs), Multimodal Large Language Models (MLLMs), exemplified by GPT-4V, have achieved great success in various multimodal tasks, pointing toward a promising pathway to artificial general intelligence. Despite this progress, the limited quality of multimodal data, poor performance on many complex downstream tasks, and inadequate evaluation protocols continue to hinder the reliability and broader applicability of MLLMs across diverse domains. Inspired by the human ability to leverage external tools for enhanced reasoning and problem-solving, augmenting MLLMs with external tools (e.g., APIs, expert models, and knowledge bases) offers a promising strategy to overcome these challenges. In this paper, we present a comprehensive survey on leveraging external tools to enhance MLLM performance. Our discussion is structured along four key dimensions about external tools: (1) how they can facilitate the acquisition and annotation of high-quality multimodal data; (2) how they can assist in improving MLLM performance on challenging downstream tasks; (3) how they enable comprehensive and accurate evaluation of MLLMs; (4) the current limitations and future directions of tool-augmented MLLMs. Through this survey, we aim to underscore the transformative potential of external tools in advancing MLLM capabilities, offering a forward-looking perspective on their development and applications. The project page of this paper is publicly available athttps://github.com/Lackel/Awesome-Tools-for-MLLMs.

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

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization -- generalizing to target data whose distribution differs from that of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift. This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. That is, no algorithm performs better than MLE in this setting (up to a constant factor), justifying MLE is all you need. Our result holds for a very rich class of parametric models, and does not require any boundedness condition on the density ratio. We illustrate the wide applicability of our framework by instantiating it to three concrete examples -- linear regression, logistic regression, and phase retrieval. This paper further complement the study by proving that, under the misspecified setting, MLE is no longer the optimal choice, whereas Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in certain scenarios.

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

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

Recent studies have found that summaries generated by large language models (LLMs) are favored by human annotators over the original reference summaries in commonly used summarization datasets. Therefore, we investigate a new learning paradigm of text summarization models that considers the LLMs as the reference or the gold-standard oracle on commonly used summarization datasets such as the CNN/DailyMail dataset. To examine the standard practices that are aligned with the new learning setting, we propose a novel training method that is based on contrastive learning with LLMs as a summarization quality evaluator. For this reward-based training method, we investigate two different methods of utilizing LLMs for summary quality evaluation, namely GPTScore and GPTRank. Our experiments on the CNN/DailyMail dataset demonstrate that smaller summarization models trained by our proposed method can achieve performance equal to or surpass that of the reference LLMs, as evaluated by the LLMs themselves. This underscores the efficacy of our proposed paradigm in enhancing model performance over the standard maximum likelihood estimation (MLE) training method, and its efficiency since it only requires a small budget to access the LLMs. We release the training scripts, model outputs, and LLM-based evaluation results to facilitate future studies.

As a prominent direction of Artificial General Intelligence (AGI), Multimodal Large Language Models (MLLMs) have garnered increased attention from both industry and academia. Building upon pre-trained LLMs, this family of models further develops multimodal perception and reasoning capabilities that are impressive, such as writing code given a flow chart or creating stories based on an image. In the development process, evaluation is critical since it provides intuitive feedback and guidance on improving models. Distinct from the traditional train-eval-test paradigm that only favors a single task like image classification, the versatility of MLLMs has spurred the rise of various new benchmarks and evaluation methods. In this paper, we aim to present a comprehensive survey of MLLM evaluation, discussing four key aspects: 1) the summarised benchmarks types divided by the evaluation capabilities, including foundation capabilities, model self-analysis, and extented applications; 2) the typical process of benchmark counstruction, consisting of data collection, annotation, and precautions; 3) the systematic evaluation manner composed of judge, metric, and toolkit; 4) the outlook for the next benchmark. This work aims to offer researchers an easy grasp of how to effectively evaluate MLLMs according to different needs and to inspire better evaluation methods, thereby driving the progress of MLLM research.

The rapid evolution of Multimodal Large Language Models (MLLMs) has brought substantial advancements in artificial intelligence, significantly enhancing the capability to understand and generate multimodal content. While prior studies have largely concentrated on model architectures and training methodologies, a thorough analysis of the benchmarks used for evaluating these models remains underexplored. This survey addresses this gap by systematically reviewing 211 benchmarks that assess MLLMs across four core domains: understanding, reasoning, generation, and application. We provide a detailed analysis of task designs, evaluation metrics, and dataset constructions, across diverse modalities. We hope that this survey will contribute to the ongoing advancement of MLLM research by offering a comprehensive overview of benchmarking practices and identifying promising directions for future work. An associated GitHub repository collecting the latest papers is available.

Endoscopic procedures are essential for diagnosing and treating internal diseases, and multi-modal large language models (MLLMs) are increasingly applied to assist in endoscopy analysis. However, current benchmarks are limited, as they typically cover specific endoscopic scenarios and a small set of clinical tasks, failing to capture the real-world diversity of endoscopic scenarios and the full range of skills needed in clinical workflows. To address these issues, we introduce EndoBench, the first comprehensive benchmark specifically designed to assess MLLMs across the full spectrum of endoscopic practice with multi-dimensional capacities. EndoBench encompasses 4 distinct endoscopic scenarios, 12 specialized clinical tasks with 12 secondary subtasks, and 5 levels of visual prompting granularities, resulting in 6,832 rigorously validated VQA pairs from 21 diverse datasets. Our multi-dimensional evaluation framework mirrors the clinical workflow--spanning anatomical recognition, lesion analysis, spatial localization, and surgical operations--to holistically gauge the perceptual and diagnostic abilities of MLLMs in realistic scenarios. We benchmark 23 state-of-the-art models, including general-purpose, medical-specialized, and proprietary MLLMs, and establish human clinician performance as a reference standard. Our extensive experiments reveal: (1) proprietary MLLMs outperform open-source and medical-specialized models overall, but still trail human experts; (2) medical-domain supervised fine-tuning substantially boosts task-specific accuracy; and (3) model performance remains sensitive to prompt format and clinical task complexity. EndoBench establishes a new standard for evaluating and advancing MLLMs in endoscopy, highlighting both progress and persistent gaps between current models and expert clinical reasoning. We publicly release our benchmark and code.

Multimodal Large Language Models (MLLMs) are set to transform how machines process and generate human-like responses by integrating diverse modalities such as text, images, and code. Yet, effectively harnessing their capabilities hinges on optimal prompt engineering. We present a comprehensive experimental evaluation of seven prompt engineering methods applied to 13 open-source MLLMs over 24 tasks spanning Reasoning and Compositionality, Multimodal Understanding and Alignment, Complex Code Generation and Execution, and Knowledge Retrieval and Integration. Our approach stratifies models by parameter count into Small (<4B), Medium (4B-10B), and Large (>10B) categories and compares prompting techniques including Zero-Shot, One-Shot, Few-Shot, Chain-of-Thought, Analogical, Generated Knowledge, and Tree-of-Thought. While Large MLLMs excel in structured tasks such as code generation, achieving accuracies up to 96.88% under Few-Shot prompting, all models struggle with complex reasoning and abstract understanding, often yielding accuracies below 60% and high hallucination rates. Structured reasoning prompts frequently increased hallucination up to 75% in small models and led to longer response times (over 20 seconds in Large MLLMs), while simpler prompting methods provided more concise and efficient outputs. No single prompting method uniformly optimises all task types. Instead, adaptive strategies combining example-based guidance with selective structured reasoning are essential to enhance robustness, efficiency, and factual accuracy. Our findings offer practical recommendations for prompt engineering and support more reliable deployment of MLLMs across applications including AI-assisted coding, knowledge retrieval, and multimodal content understanding.

The rapid evolution of Multi-modal Large Language Models (MLLMs) has advanced workflow automation; however, existing research mainly targets performance upper bounds in static environments, overlooking robustness for stochastic real-world deployment. We identify three key challenges: dynamic task scheduling, active exploration under uncertainty, and continuous learning from experience. To bridge this gap, we introduce , a dynamic evaluation environment that simulates a "trainee" agent continuously exploring a novel setting. Unlike traditional benchmarks, evaluates agents along three dimensions: (1) context-aware scheduling for streaming tasks with varying priorities; (2) prudent information acquisition to reduce hallucination via active exploration; and (3) continuous evolution by distilling generalized strategies from rule-based, dynamically generated tasks. Experiments show that cutting-edge agents have significant deficiencies in dynamic environments, especially in active exploration and continual learning. Our work establishes a framework for assessing agent reliability, shifting evaluation from static tests to realistic, production-oriented scenarios. Our codes are available at https://github.com/KnowledgeXLab/EvoEnv

In the past year, Multimodal Large Language Models (MLLMs) have demonstrated remarkable performance in tasks such as visual question answering, visual understanding and reasoning. However, the extensive model size and high training and inference costs have hindered the widespread application of MLLMs in academia and industry. Thus, studying efficient and lightweight MLLMs has enormous potential, especially in edge computing scenarios. In this survey, we provide a comprehensive and systematic review of the current state of efficient MLLMs. Specifically, we summarize the timeline of representative efficient MLLMs, research state of efficient structures and strategies, and the applications. Finally, we discuss the limitations of current efficient MLLM research and promising future directions. Please refer to our GitHub repository for more details: https://github.com/lijiannuist/Efficient-Multimodal-LLMs-Survey.

This study introduces a human-in-the-loop pipeline that converts unscaled, hand-drawn floor plan sketches into semantically consistent 3D BIM models. The workflow leverages multimodal large language models (MLLMs) within a multi-agent framework, combining perceptual extraction, human feedback, schema validation, and automated BIM scripting. Initially, sketches are iteratively refined into a structured JSON layout of walls, doors, and windows. Later, these layouts are transformed into executable scripts that generate 3D BIM models. Experiments on ten diverse floor plans demonstrate strong convergence: openings (doors, windows) are captured with high reliability in the initial pass, while wall detection begins around 83% and achieves near-perfect alignment after a few feedback iterations. Across all categories, precision, recall, and F1 scores remain above 0.83, and geometric errors (RMSE, MAE) progressively decrease to zero through feedback corrections. This study demonstrates how MLLM-driven multi-agent reasoning can make BIM creation accessible to both experts and non-experts using only freehand sketches.

Multimodal Large Language Models (MLLMs) hold promise for accelerating scientific discovery by interpreting complex experimental procedures. However, their true capabilities are poorly understood, as existing benchmarks neglect the fine-grained and long-horizon nature of authentic laboratory work, especially in wet-lab settings. To bridge this gap, we introduce ExpVid, the first benchmark designed to systematically evaluate MLLMs on scientific experiment videos. Curated from peer-reviewed video publications, ExpVid features a new three-level task hierarchy that mirrors the scientific process: (1) Fine-grained Perception of tools, materials, and actions; (2) Procedural Understanding of step order and completeness; and (3) Scientific Reasoning that connects the full experiment to its published conclusions. Our vision-centric annotation pipeline, combining automated generation with multi-disciplinary expert validation, ensures that tasks require visual grounding. We evaluate 19 leading MLLMs on ExpVid and find that while they excel at coarse-grained recognition, they struggle with disambiguating fine details, tracking state changes over time, and linking experimental procedures to scientific outcomes. Our results reveal a notable performance gap between proprietary and open-source models, particularly in high-order reasoning. ExpVid not only provides a diagnostic tool but also charts a roadmap for developing MLLMs capable of becoming trustworthy partners in scientific experimentation.

When fitting the learning data of an individual to algorithm-like learning models, the observations are so dependent and non-stationary that one may wonder what the classical Maximum Likelihood Estimator (MLE) could do, even if it is the usual tool applied to experimental cognition. Our objective in this work is to show that the estimation of the learning rate cannot be efficient if the learning rate is constant in the classical Exp3 (Exponential weights for Exploration and Exploitation) algorithm. Secondly, we show that if the learning rate decreases polynomially with the sample size, then the prediction error and in some cases the estimation error of the MLE satisfy bounds in probability that decrease at a polynomial rate.

Conventional evaluation methods for multimodal LLMs (MLLMs) lack interpretability and are often insufficient to fully disclose significant capability gaps across models. To address this, we introduce AuditDM, an automated framework that actively discovers and rectifies MLLM failure modes by auditing their divergence. AuditDM fine-tunes an MLLM as an auditor via reinforcement learning to generate challenging questions and counterfactual images that maximize disagreement among target models. Once trained, the auditor uncovers diverse, interpretable exemplars that reveal model weaknesses and serve as annotation-free data for rectification. When applied to SoTA models like Gemma-3 and PaliGemma-2, AuditDM discovers more than 20 distinct failure types. Fine-tuning on these discoveries consistently improves all models across 16 benchmarks, and enables a 3B model to surpass its 28B counterpart. Our results suggest that as data scaling hits diminishing returns, targeted model auditing offers an effective path to model diagnosis and improvement.

Multi-modal Large Language Models (MLLMs) have shown impressive abilities in generating reasonable responses with respect to multi-modal contents. However, there is still a wide gap between the performance of recent MLLM-based applications and the expectation of the broad public, even though the most powerful OpenAI's GPT-4 and Google's Gemini have been deployed. This paper strives to enhance understanding of the gap through the lens of a qualitative study on the generalizability, trustworthiness, and causal reasoning capabilities of recent proprietary and open-source MLLMs across four modalities: ie, text, code, image, and video, ultimately aiming to improve the transparency of MLLMs. We believe these properties are several representative factors that define the reliability of MLLMs, in supporting various downstream applications. To be specific, we evaluate the closed-source GPT-4 and Gemini and 6 open-source LLMs and MLLMs. Overall we evaluate 230 manually designed cases, where the qualitative results are then summarized into 12 scores (ie, 4 modalities times 3 properties). In total, we uncover 14 empirical findings that are useful to understand the capabilities and limitations of both proprietary and open-source MLLMs, towards more reliable downstream multi-modal applications.

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.

This paper provides a comprehensive survey of the latest research on multilingual large language models (MLLMs). MLLMs not only are able to understand and generate language across linguistic boundaries, but also represent an important advancement in artificial intelligence. We first discuss the architecture and pre-training objectives of MLLMs, highlighting the key components and methodologies that contribute to their multilingual capabilities. We then discuss the construction of multilingual pre-training and alignment datasets, underscoring the importance of data quality and diversity in enhancing MLLM performance. An important focus of this survey is on the evaluation of MLLMs. We present a detailed taxonomy and roadmap covering the assessment of MLLMs' cross-lingual knowledge, reasoning, alignment with human values, safety, interpretability and specialized applications. Specifically, we extensively discuss multilingual evaluation benchmarks and datasets, and explore the use of LLMs themselves as multilingual evaluators. To enhance MLLMs from black to white boxes, we also address the interpretability of multilingual capabilities, cross-lingual transfer and language bias within these models. Finally, we provide a comprehensive review of real-world applications of MLLMs across diverse domains, including biology, medicine, computer science, mathematics and law. We showcase how these models have driven innovation and improvements in these specialized fields while also highlighting the challenges and opportunities in deploying MLLMs within diverse language communities and application scenarios. We listed the paper related in this survey and publicly available at https://github.com/tjunlp-lab/Awesome-Multilingual-LLMs-Papers.

Existing evaluation of large language model (LLM) agents on scientific discovery lacks objective baselines and metrics to assess the viability of their proposed methods. To address this issue, we introduce MLRC-Bench, a benchmark designed to quantify how effectively language agents can tackle challenging Machine Learning (ML) Research Competitions. Our benchmark highlights open research problems that demand novel methodologies, in contrast to recent benchmarks such as OpenAI's MLE-Bench (Chan et al., 2024) and METR's RE-Bench (Wijk et al., 2024), which focus on well-established research tasks that are largely solvable through sufficient engineering effort. Unlike prior work, e.g., AI Scientist (Lu et al., 2024b), which evaluates the end-to-end agentic pipeline by using LLM-as-a-judge, MLRC-Bench measures the key steps of proposing and implementing novel research methods and evaluates them with newly proposed rigorous protocol and objective metrics. Our curated suite of 7 competition tasks reveals significant challenges for LLM agents. Even the best-performing tested agent (gemini-exp-1206 under MLAB (Huang et al., 2024a)) closes only 9.3% of the gap between baseline and top human participant scores. Furthermore, our analysis reveals a misalignment between the LLM-judged innovation and their actual performance on cutting-edge ML research problems. MLRC-Bench is a dynamic benchmark, which is designed to continually grow with new ML competitions to encourage rigorous and objective evaluations of AI's research capabilities.

Reproducibility is central to research credibility, yet large-scale reanalysis of empricial data remains costly because replication packages vary widely in structure, software environment, and documentation. We develop and evaluate an agentic AI workflow that addresses this execution bottleneck while preserving scientific rigor. The system separates scientific reasoning from computational execution: researchers design fixed diagnostic templates, and the workflow automates the acquisition, harmonization, and execution of replication materials using pre-specified, version-controlled code. A structured knowledge layer records resolved failure patterns, enabling adaptation across heterogeneous studies while keeping each pipeline version transparent and stable. We evaluate this workflow on 92 instrumental variable (IV) studies, including 67 with manually verified reproducible 2SLS estimates and 25 newly published IV studies under identical criteria. For each paper, we analyze up to three two-stage least squares (2SLS) specifications, totaling 215. Across the 92 papers, the system achieves 87% end-to-end success overall. Conditional on accessible data and code, reproducibility is 100% at both the paper and specification levels. The framework substantially lowers the cost of executing established empirical protocols and can be adapted in empirical settings where analytic templates and norms of transparency are well established.

Multimodal large language models (MLLMs) have broadened the scope of AI applications. Existing automatic evaluation methodologies for MLLMs are mainly limited in evaluating queries without considering user experiences, inadequately addressing the nuances of creative and associative multimodal tasks. However, the open-ended and subjective nature of such tasks poses a significant challenge to the evaluation methodology, where it is difficult to define the ground-truth answers for them. To this end, in our paper, we propose a new evaluation paradigm for MLLMs, which is evaluating MLLMs with per-sample criteria using potent MLLM as the judge. To validate the feasibility and effectiveness of this paradigm, we design a benchmark, dubbed MLLM-Bench, by curating the evaluation samples across six comprehensive cognitive levels. We benchmark 21 popular MLLMs in a pairwise-comparison fashion, showing diverse performance across models. Moreover, the validity of our benchmark manifests itself in reaching 88.02% agreement with human evaluation. We contend that the proposed paradigm explores the potential of MLLMs as effective evaluation tools with the help of per-sample criteria. See online leaderboard at https://mllm-bench.llmzoo.com.

Large language models have shown promising performance in code generation benchmarks. However, a considerable divide exists between these benchmark achievements and their practical applicability, primarily attributed to real-world programming's reliance on pre-existing libraries. Instead of evaluating LLMs to code from scratch, this work aims to propose a new evaluation setup where LLMs use open-source libraries to finish machine learning tasks. Therefore, we propose ML-Bench, an expansive benchmark developed to assess the effectiveness of LLMs in leveraging existing functions in open-source libraries. Consisting of 10044 samples spanning 130 tasks over 14 notable machine learning GitHub repositories. In this setting, given a specific machine learning task instruction and the accompanying README in a codebase, an LLM is tasked to generate code to accomplish the task. This necessitates the comprehension of long and language-code interleaved documents, as well as the understanding of complex cross-file code structures, introducing new challenges. Notably, while GPT-4 exhibits remarkable improvement over other LLMs, it manages to accomplish only 39.73\% of the tasks, leaving a huge space for improvement. We address these challenges by proposing ML-Agent, designed to effectively navigate the codebase, locate documentation, retrieve code, and generate executable code. Empirical results demonstrate that ML-Agent, built upon GPT-4, results in further improvements. Code, data, and models are available at https://ml-bench.github.io/.

Data preparation aims to denoise raw datasets, uncover cross-dataset relationships, and extract valuable insights from them, which is essential for a wide range of data-centric applications. Driven by (i) rising demands for application-ready data (e.g., for analytics, visualization, decision-making), (ii) increasingly powerful LLM techniques, and (iii) the emergence of infrastructures that facilitate flexible agent construction (e.g., using Databricks Unity Catalog), LLM-enhanced methods are rapidly becoming a transformative and potentially dominant paradigm for data preparation. By investigating hundreds of recent literature works, this paper presents a systematic review of this evolving landscape, focusing on the use of LLM techniques to prepare data for diverse downstream tasks. First, we characterize the fundamental paradigm shift, from rule-based, model-specific pipelines to prompt-driven, context-aware, and agentic preparation workflows. Next, we introduce a task-centric taxonomy that organizes the field into three major tasks: data cleaning (e.g., standardization, error processing, imputation), data integration (e.g., entity matching, schema matching), and data enrichment (e.g., data annotation, profiling). For each task, we survey representative techniques, and highlight their respective strengths (e.g., improved generalization, semantic understanding) and limitations (e.g., the prohibitive cost of scaling LLMs, persistent hallucinations even in advanced agents, the mismatch between advanced methods and weak evaluation). Moreover, we analyze commonly used datasets and evaluation metrics (the empirical part). Finally, we discuss open research challenges and outline a forward-looking roadmap that emphasizes scalable LLM-data systems, principled designs for reliable agentic workflows, and robust evaluation protocols.

We present CodeReef - an open platform to share all the components necessary to enable cross-platform MLOps (MLSysOps), i.e. automating the deployment of ML models across diverse systems in the most efficient way. We also introduce the CodeReef solution - a way to package and share models as non-virtualized, portable, customizable and reproducible archive files. Such ML packages include JSON meta description of models with all dependencies, Python APIs, CLI actions and portable workflows necessary to automatically build, benchmark, test and customize models across diverse platforms, AI frameworks, libraries, compilers and datasets. We demonstrate several CodeReef solutions to automatically build, run and measure object detection based on SSD-Mobilenets, TensorFlow and COCO dataset from the latest MLPerf inference benchmark across a wide range of platforms from Raspberry Pi, Android phones and IoT devices to data centers. Our long-term goal is to help researchers share their new techniques as production-ready packages along with research papers to participate in collaborative and reproducible benchmarking, compare the different ML/software/hardware stacks and select the most efficient ones on a Pareto frontier using online CodeReef dashboards.

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

Generation capabilities and language coverage of multilingual large language models (mLLMs) are advancing rapidly. However, evaluation practices for generative abilities of mLLMs are still lacking comprehensiveness, scientific rigor, and consistent adoption across research labs, which undermines their potential to meaningfully guide mLLM development. We draw parallels with machine translation (MT) evaluation, a field that faced similar challenges and has, over decades, developed transparent reporting standards and reliable evaluations for multilingual generative models. Through targeted experiments across key stages of the generative evaluation pipeline, we demonstrate how best practices from MT evaluation can deepen the understanding of quality differences between models. Additionally, we identify essential components for robust meta-evaluation of mLLMs, ensuring the evaluation methods themselves are rigorously assessed. We distill these insights into a checklist of actionable recommendations for mLLM research and development.

Multi-modal Large Language Models (MLLMs) are increasingly prominent in the field of artificial intelligence. These models not only excel in traditional vision-language tasks but also demonstrate impressive performance in contemporary multi-modal benchmarks. Although many of these benchmarks attempt to holistically evaluate MLLMs, they typically concentrate on basic reasoning tasks, often yielding only simple yes/no or multi-choice responses. These methods naturally lead to confusion and difficulties in conclusively determining the reasoning capabilities of MLLMs. To mitigate this issue, we manually curate a benchmark dataset specifically designed for MLLMs, with a focus on complex reasoning tasks. Our benchmark comprises three key reasoning categories: deductive, abductive, and analogical reasoning. The queries in our dataset are intentionally constructed to engage the reasoning capabilities of MLLMs in the process of generating answers. For a fair comparison across various MLLMs, we incorporate intermediate reasoning steps into our evaluation criteria. In instances where an MLLM is unable to produce a definitive answer, its reasoning ability is evaluated by requesting intermediate reasoning steps. If these steps align with our manual annotations, appropriate scores are assigned. This evaluation scheme resembles methods commonly used in human assessments, such as exams or assignments, and represents what we consider a more effective assessment technique compared with existing benchmarks. We evaluate a selection of representative MLLMs using this rigorously developed open-ended multi-step elaborate reasoning benchmark, designed to challenge and accurately measure their reasoning capabilities. The code and data will be released at https://core-mm.github.io/

A central aspect of machine learning research is experimentation, the process of designing and running experiments, analyzing the results, and iterating towards some positive outcome (e.g., improving accuracy). Could agents driven by powerful language models perform machine learning experimentation effectively? To answer this question, we introduce MLAgentBench, a suite of 13 tasks ranging from improving model performance on CIFAR-10 to recent research problems like BabyLM. For each task, an agent can perform actions like reading/writing files, executing code, and inspecting outputs. We then construct an agent that can perform ML experimentation based on ReAct framework. We benchmark agents based on Claude v1.0, Claude v2.1, Claude v3 Opus, GPT-4, GPT-4-turbo, Gemini-Pro, and Mixtral and find that a Claude v3 Opus agent is the best in terms of success rate. It can build compelling ML models over many tasks in MLAgentBench with 37.5% average success rate. Our agents also display highly interpretable plans and actions. However, the success rates vary considerably; they span from 100% on well-established older datasets to as low as 0% on recent Kaggle challenges created potentially after the underlying LM was trained. Finally, we identify several key challenges for LM-based agents such as long-term planning and reducing hallucination. Our code is released at https://github.com/snap-stanford/MLAgentBench.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

Despite the impressive performance of LLMs, their widespread adoption faces challenges due to substantial computational and memory requirements during inference. Recent advancements in model compression and system-level optimization methods aim to enhance LLM inference. This survey offers an overview of these methods, emphasizing recent developments. Through experiments on LLaMA(/2)-7B, we evaluate various compression techniques, providing practical insights for efficient LLM deployment in a unified setting. The empirical analysis on LLaMA(/2)-7B highlights the effectiveness of these methods. Drawing from survey insights, we identify current limitations and discuss potential future directions to improve LLM inference efficiency. We release the codebase to reproduce the results presented in this paper at https://github.com/nyunAI/Faster-LLM-Survey

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

The process mining community has recently recognized the potential of large language models (LLMs) for tackling various process mining tasks. Initial studies report the capability of LLMs to support process analysis and even, to some extent, that they are able to reason about how processes work. This latter property suggests that LLMs could also be used to tackle process mining tasks that benefit from an understanding of process behavior. Examples of such tasks include (semantic) anomaly detection and next activity prediction, which both involve considerations of the meaning of activities and their inter-relations. In this paper, we investigate the capabilities of LLMs to tackle such semantics-aware process mining tasks. Furthermore, whereas most works on the intersection of LLMs and process mining only focus on testing these models out of the box, we provide a more principled investigation of the utility of LLMs for process mining, including their ability to obtain process mining knowledge post-hoc by means of in-context learning and supervised fine-tuning. Concretely, we define three process mining tasks that benefit from an understanding of process semantics and provide extensive benchmarking datasets for each of them. Our evaluation experiments reveal that (1) LLMs fail to solve challenging process mining tasks out of the box and when provided only a handful of in-context examples, (2) but they yield strong performance when fine-tuned for these tasks, consistently surpassing smaller, encoder-based language models.

Large Language Models (LLMs) have significantly impacted numerous domains, including Software Engineering (SE). Many recent publications have explored LLMs applied to various SE tasks. Nevertheless, a comprehensive understanding of the application, effects, and possible limitations of LLMs on SE is still in its early stages. To bridge this gap, we conducted a systematic literature review on LLM4SE, with a particular focus on understanding how LLMs can be exploited to optimize processes and outcomes. We collect and analyze 229 research papers from 2017 to 2023 to answer four key research questions (RQs). In RQ1, we categorize different LLMs that have been employed in SE tasks, characterizing their distinctive features and uses. In RQ2, we analyze the methods used in data collection, preprocessing, and application highlighting the role of well-curated datasets for successful LLM for SE implementation. RQ3 investigates the strategies employed to optimize and evaluate the performance of LLMs in SE. Finally, RQ4 examines the specific SE tasks where LLMs have shown success to date, illustrating their practical contributions to the field. From the answers to these RQs, we discuss the current state-of-the-art and trends, identifying gaps in existing research, and flagging promising areas for future study.

Large Language Models (LLMs) are increasingly integrated into software development workflows, yet their behavior in structured, specification-driven processes remains poorly understood. This paper presents an empirical study design using CURRANTE, a Visual Studio Code extension that enables a human-in-the-loop workflow for LLM-assisted code generation. The tool guides developers through three sequential stages--Specification, Tests, and Function--allowing them to define requirements, generate and refine test suites, and produce functions that satisfy those tests. Participants will solve medium-difficulty problems from the LiveCodeBench dataset, while the tool records fine-grained interaction logs, effectiveness metrics (e.g., pass rate, all-pass completion), efficiency indicators (e.g., time-to-pass), and iteration behaviors. The study aims to analyze how human intervention in specification and test refinement influences the quality and dynamics of LLM-generated code. The results will provide empirical insights into the design of next-generation development environments that align human reasoning with model-driven code generation.

Machine learning techniques are becoming a fundamental tool for scientific and engineering progress. These techniques are applied in contexts as diverse as astronomy and spam filtering. However, correctly applying these techniques requires careful engineering. Much attention has been paid to the technical potential; relatively little attention has been paid to the software engineering process required to bring research-based machine learning techniques into practical utility. Technology companies have supported the engineering community through machine learning frameworks such as TensorFLow and PyTorch, but the details of how to engineer complex machine learning models in these frameworks have remained hidden. To promote best practices within the engineering community, academic institutions and Google have partnered to launch a Special Interest Group on Machine Learning Models (SIGMODELS) whose goal is to develop exemplary implementations of prominent machine learning models in community locations such as the TensorFlow Model Garden (TFMG). The purpose of this report is to define a process for reproducing a state-of-the-art machine learning model at a level of quality suitable for inclusion in the TFMG. We define the engineering process and elaborate on each step, from paper analysis to model release. We report on our experiences implementing the YOLO model family with a team of 26 student researchers, share the tools we developed, and describe the lessons we learned along the way.

For a parametric model of distributions, the closest distribution in the model to the true distribution located outside the model is considered. Measuring the closeness between two distributions with the Kullback-Leibler (K-L) divergence, the closest distribution is called the "information projection." The estimation risk of the maximum likelihood estimator (MLE) is defined as the expectation of K-L divergence between the information projection and the predictive distribution with plugged-in MLE. Here, the asymptotic expansion of the risk is derived up to n^{-2}-order, and the sufficient condition on the risk for the Bayes error rate between the true distribution and the information projection to be lower than a specified value is investigated. Combining these results, the "p-n criterion" is proposed, which determines whether the MLE is sufficiently close to the information projection for the given model and sample. In particular, the criterion for an exponential family model is relatively simple and can be used for a complex model with no explicit form of normalizing constant. This criterion can constitute a solution to the sample size or model acceptance problem. Use of the p-n criteria is demonstrated for two practical datasets. The relationship between the results and information criteria is also studied.

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality constraints. This often leads to aimless hypothesizing and a failure to consistently link hypotheses with evidence, thereby hindering systematic uncertainty reduction. Overcoming these limitations fundamentally requires systematic uncertainty reduction. We introduce PiFlow, an information-theoretical framework, treating automated scientific discovery as a structured uncertainty reduction problem guided by principles (e.g., scientific laws). In evaluations across three distinct scientific domains -- discovering nanomaterial structures, bio-molecules, and superconductor candidates with targeted properties -- our method significantly improves discovery efficiency, reflected by a 73.55\% increase in the Area Under the Curve (AUC) of property values versus exploration steps, and enhances solution quality by 94.06\% compared to a vanilla agent system. Overall, PiFlow serves as a Plug-and-Play method, establishing a novel paradigm shift in highly efficient automated scientific discovery, paving the way for more robust and accelerated AI-driven research. Code is publicly available at our https://github.com/amair-lab/PiFlow{GitHub}.

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.

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.

With the rapid iteration of Multi-modality Large Language Models (MLLMs) and the evolving demands of the field, the number of benchmarks produced annually has surged into the hundreds. The rapid growth has inevitably led to significant redundancy among benchmarks. Therefore, it is crucial to take a step back and critically assess the current state of redundancy and propose targeted principles for constructing effective MLLM benchmarks. In this paper, we focus on redundancy from three key perspectives: 1) Redundancy of benchmark capability dimensions, 2) Redundancy in the number of test questions, and 3) Cross-benchmark redundancy within specific domains. Through the comprehensive analysis over hundreds of MLLMs' performance across more than 20 benchmarks, we aim to quantitatively measure the level of redundancy lies in existing MLLM evaluations, provide valuable insights to guide the future development of MLLM benchmarks, and offer strategies to refine and address redundancy issues effectively.

Large language models (LLMs) have shown great promise in automating data science workflows, but existing models still struggle with multi-step reasoning and tool use, which limits their effectiveness on complex data analysis tasks. To address this, we propose a scalable pipeline that extracts high-quality, tool-based data analysis tasks and their executable multi-step solutions from real-world Jupyter notebooks and associated data files. Using this pipeline, we introduce NbQA, a large-scale dataset of standardized task-solution pairs that reflect authentic tool-use patterns in practical data science scenarios. To further enhance multi-step reasoning, we present Jupiter, a framework that formulates data analysis as a search problem and applies Monte Carlo Tree Search (MCTS) to generate diverse solution trajectories for value model learning. During inference, Jupiter combines the value model and node visit counts to efficiently collect executable multi-step plans with minimal search steps. Experimental results show that Qwen2.5-7B and 14B-Instruct models on NbQA solve 77.82% and 86.38% of tasks on InfiAgent-DABench, respectively-matching or surpassing GPT-4o and advanced agent frameworks. Further evaluations demonstrate improved generalization and stronger tool-use reasoning across diverse multi-step reasoning tasks.

Multilingual Large Language Models are capable of using powerful Large Language Models to handle and respond to queries in multiple languages, which achieves remarkable success in multilingual natural language processing tasks. Despite these breakthroughs, there still remains a lack of a comprehensive survey to summarize existing approaches and recent developments in this field. To this end, in this paper, we present a thorough review and provide a unified perspective to summarize the recent progress as well as emerging trends in multilingual large language models (MLLMs) literature. The contributions of this paper can be summarized: (1) First survey: to our knowledge, we take the first step and present a thorough review in MLLMs research field according to multi-lingual alignment; (2) New taxonomy: we offer a new and unified perspective to summarize the current progress of MLLMs; (3) New frontiers: we highlight several emerging frontiers and discuss the corresponding challenges; (4) Abundant resources: we collect abundant open-source resources, including relevant papers, data corpora, and leaderboards. We hope our work can provide the community with quick access and spur breakthrough research in MLLMs.

Large Language Models (LLMs) are increasingly applied to data-intensive workflows, from database querying to developer observability. Yet the effectiveness of these systems is constrained by the volume, verbosity, and noise of real-world text-rich data such as logs, telemetry, and monitoring streams. Feeding such data directly into LLMs is costly, environmentally unsustainable, and often misaligned with task objectives. Parallel efforts in LLM efficiency have focused on model- or architecture-level optimizations, but the challenge of reducing upstream input verbosity remains underexplored. In this paper, we argue for treating the token budget of an LLM as an attention budget and elevating task-aware text reduction as a first-class design principle for language -- data systems. We position input-side reduction not as compression, but as attention allocation: prioritizing information most relevant to downstream tasks. We outline open research challenges for building benchmarks, designing adaptive reduction pipelines, and integrating token-budget--aware preprocessing into database and retrieval systems. Our vision is to channel scarce attention resources toward meaningful signals in noisy, data-intensive workflows, enabling scalable, accurate, and sustainable LLM--data integration.

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

Different Multimodal Large Language Models (MLLMs) cannot be integrated into a unified multimodal input-output system directly. In previous work, training has been considered as an inevitable component due to challenges in modal alignment, Text-to-Speech efficiency and other integration issues. In this paper, we introduce Multimodal Large Language Model Orchestration, an effective approach for creating interactive multimodal AI systems without additional training. MLLM Orchestration leverages the inherent reasoning capabilities of large language models to coordinate specialized models through explicit workflows, enabling natural multimodal interactions while maintaining modularity, improving interpretability, and significantly enhancing computational efficiency. Our orchestration framework is built upon three key innovations: (1) a central controller LLM that analyzes user inputs and dynamically routes tasks to appropriate specialized models through carefully designed agents; (2) a parallel Text-to-Speech architecture that enables true full-duplex interaction with seamless interruption handling and natural conversational flow; and (3) a cross-modal memory integration system that maintains coherent context across modalities through intelligent information synthesis and retrieval, selectively avoiding unnecessary modality calls in certain scenarios to improve response speed. Extensive evaluations demonstrate that MLLM Orchestration achieves comprehensive multimodal capabilities without additional training, performance improvements of up to 7.8% over traditional jointly-trained approaches on standard benchmarks, reduced latency by 10.3%, and significantly enhanced interpretability through explicit orchestration processes.

The field of efficient Large Language Model (LLM) inference is rapidly evolving, presenting a unique blend of opportunities and challenges. Although the field has expanded and is vibrant, there hasn't been a concise framework that analyzes the various methods of LLM Inference to provide a clear understanding of this domain. Our survey stands out from traditional literature reviews by not only summarizing the current state of research but also by introducing a framework based on roofline model for systematic analysis of LLM inference techniques. This framework identifies the bottlenecks when deploying LLMs on hardware devices and provides a clear understanding of practical problems, such as why LLMs are memory-bound, how much memory and computation they need, and how to choose the right hardware. We systematically collate the latest advancements in efficient LLM inference, covering crucial areas such as model compression (e.g., Knowledge Distillation and Quantization), algorithm improvements (e.g., Early Exit and Mixture-of-Expert), and both hardware and system-level enhancements. Our survey stands out by analyzing these methods with roofline model, helping us understand their impact on memory access and computation. This distinctive approach not only showcases the current research landscape but also delivers valuable insights for practical implementation, positioning our work as an indispensable resource for researchers new to the field as well as for those seeking to deepen their understanding of efficient LLM deployment. The analyze tool, LLM-Viewer, is open-sourced.

We introduce xLLM, an intelligent and efficient Large Language Model (LLM) inference framework designed for high-performance, large-scale enterprise-grade serving, with deep optimizations for diverse AI accelerators. To address these challenges, xLLM builds a novel decoupled service-engine architecture. At the service layer, xLLM-Service features an intelligent scheduling module that efficiently processes multimodal requests and co-locates online and offline tasks through unified elastic scheduling to maximize cluster utilization. This module also relies on a workload-adaptive dynamic Prefill-Decode (PD) disaggregation policy and a novel Encode-Prefill-Decode (EPD) disaggregation policy designed for multimodal inputs. Furthermore, it incorporates a distributed architecture to provide global KV Cache management and robust fault-tolerant capabilities for high availability. At the engine layer, xLLM-Engine co-optimizes system and algorithm designs to fully saturate computing resources. This is achieved through comprehensive multi-layer execution pipeline optimizations, an adaptive graph mode and an xTensor memory management. xLLM-Engine also further integrates algorithmic enhancements such as optimized speculative decoding and dynamic EPLB, collectively serving to substantially boost throughput and inference efficiency. Extensive evaluations demonstrate that xLLM delivers significantly superior performance and resource efficiency. Under identical TPOT constraints, xLLM achieves throughput up to 1.7x that of MindIE and 2.2x that of vLLM-Ascend with Qwen-series models, while maintaining an average throughput of 1.7x that of MindIE with Deepseek-series models. xLLM framework is publicly available at https://github.com/jd-opensource/xllm and https://github.com/jd-opensource/xllm-service.

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

In this paper, we focus on editing Multimodal Large Language Models (MLLMs). Compared to editing single-modal LLMs, multimodal model editing is more challenging, which demands a higher level of scrutiny and careful consideration in the editing process. To facilitate research in this area, we construct a new benchmark, dubbed MMEdit, for editing multimodal LLMs and establishing a suite of innovative metrics for evaluation. We conduct comprehensive experiments involving various model editing baselines and analyze the impact of editing different components for multimodal LLMs. Empirically, we notice that previous baselines can implement editing multimodal LLMs to some extent, but the effect is still barely satisfactory, indicating the potential difficulty of this task. We hope that our work can provide the NLP community with insights. Code and dataset are available in https://github.com/zjunlp/EasyEdit.

With the proliferation of open-sourced Large Language Models (LLMs) and efficient finetuning techniques, we are on the cusp of the emergence of numerous domain-specific LLMs that have been finetuned for expertise across specialized fields and applications for which the current general-purpose LLMs are unsuitable. In academia, this technology has the potential to revolutionize the way we conduct systematic literature reviews (SLRs), access knowledge and generate new insights. This paper proposes an AI-enabled methodological framework that combines the power of LLMs with the rigorous reporting guidelines of the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA). By finetuning LLMs on domain-specific academic papers that have been selected as a result of a rigorous SLR process, the proposed PRISMA-DFLLM (for Domain-specific Finetuned LLMs) reporting guidelines offer the potential to achieve greater efficiency, reusability and scalability, while also opening the potential for conducting incremental living systematic reviews with the aid of LLMs. Additionally, the proposed approach for leveraging LLMs for SLRs enables the dissemination of finetuned models, empowering researchers to accelerate advancements and democratize cutting-edge research. This paper presents the case for the feasibility of finetuned LLMs to support rigorous SLRs and the technical requirements for realizing this. This work then proposes the extended PRISMA-DFLLM checklist of reporting guidelines as well as the advantages, challenges, and potential implications of implementing PRISMA-DFLLM. Finally, a future research roadmap to develop this line of AI-enabled SLRs is presented, paving the way for a new era of evidence synthesis and knowledge discovery.

Multimodal large language models (MLLMs) have shown impressive success across modalities such as image, video, and audio in a variety of understanding and generation tasks. However, current MLLMs are surprisingly poor at understanding webpage screenshots and generating their corresponding HTML code. To address this problem, we propose Web2Code, a benchmark consisting of a new large-scale webpage-to-code dataset for instruction tuning and an evaluation framework for the webpage understanding and HTML code translation abilities of MLLMs. For dataset construction, we leverage pretrained LLMs to enhance existing webpage-to-code datasets as well as generate a diverse pool of new webpages rendered into images. Specifically, the inputs are webpage images and instructions, while the responses are the webpage's HTML code. We further include diverse natural language QA pairs about the webpage content in the responses to enable a more comprehensive understanding of the web content. To evaluate model performance in these tasks, we develop an evaluation framework for testing MLLMs' abilities in webpage understanding and web-to-code generation. Extensive experiments show that our proposed dataset is beneficial not only to our proposed tasks but also in the general visual domain, while previous datasets result in worse performance. We hope our work will contribute to the development of general MLLMs suitable for web-based content generation and task automation. Our data and code will be available at https://github.com/MBZUAI-LLM/web2code.

Multimodal Large Language Model (MLLM) recently has been a new rising research hotspot, which uses powerful Large Language Models (LLMs) as a brain to perform multimodal tasks. The surprising emergent capabilities of MLLM, such as writing stories based on images and OCR-free math reasoning, are rare in traditional methods, suggesting a potential path to artificial general intelligence. In this paper, we aim to trace and summarize the recent progress of MLLM. First of all, we present the formulation of MLLM and delineate its related concepts. Then, we discuss the key techniques and applications, including Multimodal Instruction Tuning (M-IT), Multimodal In-Context Learning (M-ICL), Multimodal Chain of Thought (M-CoT), and LLM-Aided Visual Reasoning (LAVR). Finally, we discuss existing challenges and point out promising research directions. In light of the fact that the era of MLLM has only just begun, we will keep updating this survey and hope it can inspire more research. An associated GitHub link collecting the latest papers is available at https://github.com/BradyFU/Awesome-Multimodal-Large-Language-Models.

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.

LLM-based agents for machine learning engineering (MLE) predominantly rely on tree search, a form of gradient-free optimization that uses scalar validation scores to rank candidates. As LLM reasoning capabilities improve, exhaustive enumeration becomes increasingly inefficient compared to directed updates, analogous to how accurate gradients enable efficient descent over random search. We introduce Gome, an MLE agent that operationalizes gradient-based optimization. Gome maps structured diagnostic reasoning to gradient computation, success memory to momentum, and multi-trace execution to distributed optimization. Under a closed-world protocol that isolates architectural effects from external knowledge, Gome achieves a state-of-the-art 35.1\% any-medal rate on MLE-Bench with a restricted 12-hour budget on a single V100 GPU. Scaling experiments across 10 models reveal a critical crossover: with weaker models, tree search retains advantages by compensating for unreliable reasoning through exhaustive exploration; as reasoning capability strengthens, gradient-based optimization progressively outperforms, with the gap widening at frontier-tier models. Given the rapid advancement of reasoning-oriented LLMs, this positions gradient-based optimization as an increasingly favorable paradigm. We release our codebase and GPT-5 traces at https://github.com/microsoft/RD-Agent.

Recently, multimodal large language models (MLLMs) have achieved significant advancements across various domains, and corresponding evaluation benchmarks have been continuously refined and improved. In this process, benchmarks in the scientific domain have played an important role in assessing the reasoning capabilities of MLLMs. However, existing benchmarks still face three key challenges: 1) Insufficient evaluation of models' reasoning abilities in multilingual scenarios; 2) Inadequate assessment of MLLMs' comprehensive modality coverage; 3) Lack of fine-grained annotation of scientific knowledge points. To address these gaps, we propose MME-SCI, a comprehensive and challenging benchmark. We carefully collected 1,019 high-quality question-answer pairs, which involve 3 distinct evaluation modes. These pairs cover four subjects, namely mathematics, physics, chemistry, and biology, and support five languages: Chinese, English, French, Spanish, and Japanese. We conducted extensive experiments on 16 open-source models and 4 closed-source models, and the results demonstrate that MME-SCI is widely challenging for existing MLLMs. For instance, under the Image-only evaluation mode, o4-mini achieved accuracy of only 52.11%, 24.73%, 36.57%, and 29.80% in mathematics, physics, chemistry, and biology, respectively, indicating a significantly higher difficulty level compared to existing benchmarks. More importantly, using MME-SCI's multilingual and fine-grained knowledge attributes, we analyzed existing models' performance in depth and identified their weaknesses in specific domains. The Data and Evaluation Code are available at https://github.com/JCruan519/MME-SCI.

While general-purpose large language models (LLMs) demonstrate proficiency on multiple tasks within the domain of translation, approaches based on open LLMs are competitive only when specializing on a single task. In this paper, we propose a recipe for tailoring LLMs to multiple tasks present in translation workflows. We perform continued pretraining on a multilingual mixture of monolingual and parallel data, creating TowerBase, followed by finetuning on instructions relevant for translation processes, creating TowerInstruct. Our final model surpasses open alternatives on several tasks relevant to translation workflows and is competitive with general-purpose closed LLMs. To facilitate future research, we release the Tower models, our specialization dataset, an evaluation framework for LLMs focusing on the translation ecosystem, and a collection of model generations, including ours, on our benchmark.

This paper introduces Code-Vision, a benchmark designed to evaluate the logical understanding and code generation capabilities of Multimodal Large Language Models (MLLMs). It challenges MLLMs to generate a correct program that fulfills specific functionality requirements based on a given flowchart, which visually represents the desired algorithm or process. Code-Vision comprises three subsets: HumanEval-V, Algorithm, and MATH, which evaluate MLLMs' coding abilities across basic programming, algorithmic, and mathematical problem-solving domains. Our experiments evaluate 12 MLLMs on Code-Vision. Experimental results demonstrate that there is a large performance difference between proprietary and open-source models. On Hard problems, GPT-4o can achieve 79.3% pass@1, but the best open-source model only achieves 15%. Further experiments reveal that Code-Vision can pose unique challenges compared to other multimodal reasoning benchmarks MMCode and MathVista. We also explore the reason for the poor performance of the open-source models. All data and codes are available at https://github.com/wanghanbinpanda/CodeVision.

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

With the rapid advancement of Multimodal Large Language Models (MLLMs), numerous evaluation benchmarks have emerged. However, comprehensive assessments of their performance across diverse industrial applications remain limited. In this paper, we introduce MME-Industry, a novel benchmark designed specifically for evaluating MLLMs in industrial settings.The benchmark encompasses 21 distinct domain, comprising 1050 question-answer pairs with 50 questions per domain. To ensure data integrity and prevent potential leakage from public datasets, all question-answer pairs were manually crafted and validated by domain experts. Besides, the benchmark's complexity is effectively enhanced by incorporating non-OCR questions that can be answered directly, along with tasks requiring specialized domain knowledge. Moreover, we provide both Chinese and English versions of the benchmark, enabling comparative analysis of MLLMs' capabilities across these languages. Our findings contribute valuable insights into MLLMs' practical industrial applications and illuminate promising directions for future model optimization research.

The integration of Large Language Models (LLMs) into the scientific ecosystem raises fundamental questions about the creativity and originality of AI-generated research. Recent work has identified ``smart plagiarism'' as a concern in single-step prompting approaches, where models reproduce existing ideas with terminological shifts. This paper investigates whether agentic workflows -- multi-step systems employing iterative reasoning, evolutionary search, and recursive decomposition -- can generate more novel and feasible research plans. We benchmark five reasoning architectures: Reflection-based iterative refinement, Sakana AI v2 evolutionary algorithms, Google Co-Scientist multi-agent framework, GPT Deep Research (GPT-5.1) recursive decomposition, and Gemini~3 Pro multimodal long-context pipeline. Using evaluations from thirty proposals each on novelty, feasibility, and impact, we find that decomposition-based and long-context workflows achieve mean novelty of 4.17/5, while reflection-based approaches score significantly lower (2.33/5). Results reveal varied performance across research domains, with high-performing workflows maintaining feasibility without sacrificing creativity. These findings support the view that carefully designed multi-stage agentic workflows can advance AI-assisted research ideation.

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.

Multimodal large language models (MLLMs) have shown promising capabilities but struggle under distribution shifts, where evaluation data differ from instruction tuning distributions. Although previous works have provided empirical evaluations, we argue that establishing a formal framework that can characterize and quantify the risk of MLLMs is necessary to ensure the safe and reliable application of MLLMs in the real world. By taking an information-theoretic perspective, we propose the first theoretical framework that enables the quantification of the maximum risk of MLLMs under distribution shifts. Central to our framework is the introduction of Effective Mutual Information (EMI), a principled metric that quantifies the relevance between input queries and model responses. We derive an upper bound for the EMI difference between in-distribution (ID) and out-of-distribution (OOD) data, connecting it to visual and textual distributional discrepancies. Extensive experiments on real benchmark datasets, spanning 61 shift scenarios empirically validate our theoretical insights.

The rise of large language models (LLMs) has created a significant disparity: industrial research labs with their computational resources, expert teams, and advanced infrastructures, can effectively fine-tune LLMs, while individual developers and small organizations face barriers due to limited resources. In this paper, we aim to bridge this gap by presenting a comprehensive study on supervised fine-tuning of LLMs using instruction-tuning datasets spanning diverse knowledge domains and skills. We focus on small-sized LLMs (3B to 7B parameters) for their cost-efficiency and accessibility. We explore various training configurations and strategies across four open-source pre-trained models. We provide detailed documentation of these configurations, revealing findings that challenge several common training practices, including hyperparameter recommendations from TULU and phased training recommended by Orca. Key insights from our work include: (i) larger batch sizes paired with lower learning rates lead to improved model performance on benchmarks such as MMLU, MTBench, and Open LLM Leaderboard; (ii) early-stage training dynamics, such as lower gradient norms and higher loss values, are strong indicators of better final model performance, enabling early termination of sub-optimal runs and significant computational savings; (iii) through a thorough exploration of hyperparameters like warmup steps and learning rate schedules, we provide guidance for practitioners and find that certain simplifications do not compromise performance; and (iv) we observed no significant difference in performance between phased and stacked training strategies, but stacked training is simpler and more sample efficient. With these findings holding robustly across datasets and models, we hope this study serves as a guide for practitioners fine-tuning small LLMs and promotes a more inclusive environment for LLM research.

Sequence-to-sequence models are commonly trained via maximum likelihood estimation (MLE). However, standard MLE training considers a word-level objective, predicting the next word given the previous ground-truth partial sentence. This procedure focuses on modeling local syntactic patterns, and may fail to capture long-range semantic structure. We present a novel solution to alleviate these issues. Our approach imposes global sequence-level guidance via new supervision based on optimal transport, enabling the overall characterization and preservation of semantic features. We further show that this method can be understood as a Wasserstein gradient flow trying to match our model to the ground truth sequence distribution. Extensive experiments are conducted to validate the utility of the proposed approach, showing consistent improvements over a wide variety of NLP tasks, including machine translation, abstractive text summarization, and image captioning.

With the development of Multimodal Large Language Models (MLLMs), numerous outstanding accomplishments have emerged within the open-source community. Due to the complexity of creating and training multimodal data pairs, it is still a computational and time-consuming process to build powerful MLLMs. In this work, we introduce Capybara-OMNI, an MLLM that trains in a lightweight and efficient manner and supports understanding text, image, video, and audio modalities. We present in detail the framework design, the data construction, and the training recipe, to develop an MLLM step-by-step to obtain competitive performance. We also provide exclusive benchmarks utilized in our experiments to show how to properly verify understanding capabilities across different modalities. Results show that by following our guidance, we can efficiently build an MLLM that achieves competitive performance among models of the same scale on various multimodal benchmarks. Additionally, to enhance the multimodal instruction following and conversational capabilities of the model, we further discuss how to train the chat version upon an MLLM understanding model, which is more in line with user habits for tasks like real-time interaction with humans. We publicly disclose the Capybara-OMNI model, along with its chat-based version. The disclosure includes both the model weights, a portion of the training data, and the inference codes, which are made available on GitHub.

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

Large language models (LLMs) have ushered in a new era for processing complex information in various fields, including science. The increasing amount of scientific literature allows these models to acquire and understand scientific knowledge effectively, thus improving their performance in a wide range of tasks. Due to the power of LLMs, they require extremely expensive computational resources, intense amounts of data, and training time. Therefore, in recent years, researchers have proposed various methodologies to make scientific LLMs more affordable. The most well-known approaches align in two directions. It can be either focusing on the size of the models or enhancing the quality of data. To date, a comprehensive review of these two families of methods has not yet been undertaken. In this paper, we (I) summarize the current advances in the emerging abilities of LLMs into more accessible AI solutions for science, and (II) investigate the challenges and opportunities of developing affordable solutions for scientific domains using LLMs.

Recent progress in Multi-modal Large Language Models (MLLMs) has enabled step-by-step multi-modal mathematical reasoning by performing visual operations based on the textual instructions. A promising approach uses code as an intermediate representation to precisely express and manipulate the images in the reasoning steps. However, existing evaluations focus mainly on text-only reasoning outputs, leaving the MLLM's ability to perform accurate visual operations via code largely unexplored. This work takes a first step toward addressing that gap by evaluating MLLM's code-based capabilities in multi-modal mathematical reasoning.Specifically, our framework focuses on two key evaluation aspects: (1) Multi-modal Code Generation (MCG) evaluates the model's ability to accurately understand and construct visualizations from scratch. (2) Multi-modal Code Editing (MCE) assesses the model's capacity for fine-grained operations, which include three types: Deletion, Modification and Annotation. To evaluate the above tasks, we incorporate a dataset that covers the five most popular types of mathematical figures, including geometric diagrams, function plots, and three types of statistical charts, to provide a comprehensive and effective measurement of existing MLLMs. Our experimental evaluation involves nine mainstream MLLMs, and the results reveal that existing models still lag significantly behind human performance in performing fine-grained visual operations.

Although Multimodal Large Language Models (MLLMs) have been widely applied across domains, they are still facing challenges in domain-specific tasks, such as User Interface (UI) understanding accuracy and UI generation quality. In this paper, we introduce UI-UG (a unified MLLM for UI Understanding and Generation), integrating both capabilities. For understanding tasks, we employ Supervised Fine-tuning (SFT) combined with Group Relative Policy Optimization (GRPO) to enhance fine-grained understanding on the modern complex UI data. For generation tasks, we further use Direct Preference Optimization (DPO) to make our model generate human-preferred UIs. In addition, we propose an industrially effective workflow, including the design of an LLM-friendly domain-specific language (DSL), training strategies, rendering processes, and evaluation metrics. In experiments, our model achieves state-of-the-art (SOTA) performance on understanding tasks, outperforming both larger general-purpose MLLMs and similarly-sized UI-specialized models. Our model is also on par with these larger MLLMs in UI generation performance at a fraction of the computational cost. We also demonstrate that integrating understanding and generation tasks can improve accuracy and quality for both tasks.

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

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.

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.