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Apr 21

From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.

  • 22 authors
·
Aug 18, 2025 2

PublicAgent: Multi-Agent Design Principles From an LLM-Based Open Data Analysis Framework

Open data repositories hold potential for evidence-based decision-making, yet are inaccessible to non-experts lacking expertise in dataset discovery, schema mapping, and statistical analysis. Large language models show promise for individual tasks, but end-to-end analytical workflows expose fundamental limitations: attention dilutes across growing contexts, specialized reasoning patterns interfere, and errors propagate undetected. We present PublicAgent, a multi-agent framework that addresses these limitations through decomposition into specialized agents for intent clarification, dataset discovery, analysis, and reporting. This architecture maintains focused attention within agent contexts and enables validation at each stage. Evaluation across five models and 50 queries derives five design principles for multi-agent LLM systems. First, specialization provides value independent of model strength--even the strongest model shows 97.5% agent win rates, with benefits orthogonal to model scale. Second, agents divide into universal (discovery, analysis) and conditional (report, intent) categories. Universal agents show consistent effectiveness (std dev 12.4%) while conditional agents vary by model (std dev 20.5%). Third, agents mitigate distinct failure modes--removing discovery or analysis causes catastrophic failures (243-280 instances), while removing report or intent causes quality degradation. Fourth, architectural benefits persist across task complexity with stable win rates (86-92% analysis, 84-94% discovery), indicating workflow management value rather than reasoning enhancement. Fifth, wide variance in agent effectiveness across models (42-96% for analysis) requires model-aware architecture design. These principles guide when and why specialization is necessary for complex analytical workflows while enabling broader access to public data through natural language interfaces.

  • 3 authors
·
Nov 4, 2025

RealUnify: Do Unified Models Truly Benefit from Unification? A Comprehensive Benchmark

The integration of visual understanding and generation into unified multimodal models represents a significant stride toward general-purpose AI. However, a fundamental question remains unanswered by existing benchmarks: does this architectural unification actually enable synergetic interaction between the constituent capabilities? Existing evaluation paradigms, which primarily assess understanding and generation in isolation, are insufficient for determining whether a unified model can leverage its understanding to enhance its generation, or use generative simulation to facilitate deeper comprehension. To address this critical gap, we introduce RealUnify, a benchmark specifically designed to evaluate bidirectional capability synergy. RealUnify comprises 1,000 meticulously human-annotated instances spanning 10 categories and 32 subtasks. It is structured around two core axes: 1) Understanding Enhances Generation, which requires reasoning (e.g., commonsense, logic) to guide image generation, and 2) Generation Enhances Understanding, which necessitates mental simulation or reconstruction (e.g., of transformed or disordered visual inputs) to solve reasoning tasks. A key contribution is our dual-evaluation protocol, which combines direct end-to-end assessment with a diagnostic stepwise evaluation that decomposes tasks into distinct understanding and generation phases. This protocol allows us to precisely discern whether performance bottlenecks stem from deficiencies in core abilities or from a failure to integrate them. Through large-scale evaluations of 12 leading unified models and 6 specialized baselines, we find that current unified models still struggle to achieve effective synergy, indicating that architectural unification alone is insufficient. These results highlight the need for new training strategies and inductive biases to fully unlock the potential of unified modeling.

  • 26 authors
·
Sep 29, 2025 2

Vibe Reasoning: Eliciting Frontier AI Mathematical Capabilities -- A Case Study on IMO 2025 Problem 6

We introduce Vibe Reasoning, a human-AI collaborative paradigm for solving complex mathematical problems. Our key insight is that frontier AI models already possess the knowledge required to solve challenging problems -- they simply do not know how, what, or when to apply it. Vibe Reasoning transforms AI's latent potential into manifested capability through generic meta-prompts, agentic grounding, and model orchestration. We demonstrate this paradigm through IMO 2025 Problem 6, a combinatorial optimization problem where autonomous AI systems publicly reported failures. Our solution combined GPT-5's exploratory capabilities with Gemini 3 Pro's proof strengths, leveraging agentic workflows with Python code execution and file-based memory, to derive both the correct answer (2112) and a rigorous mathematical proof. Through iterative refinement across multiple attempts, we discovered the necessity of agentic grounding and model orchestration, while human prompts evolved from problem-specific hints to generic, transferable meta-prompts. We analyze why capable AI fails autonomously, how each component addresses specific failure modes, and extract principles for effective vibe reasoning. Our findings suggest that lightweight human guidance can unlock frontier models' mathematical reasoning potential. This is ongoing work; we are developing automated frameworks and conducting broader evaluations to further validate Vibe Reasoning's generality and effectiveness.

  • 4 authors
·
Dec 22, 2025

Pseudo-Unification: Entropy Probing Reveals Divergent Information Patterns in Unified Multimodal Models

Unified multimodal models (UMMs) were designed to combine the reasoning ability of large language models (LLMs) with the generation capability of vision models. In practice, however, this synergy remains elusive: UMMs fail to transfer LLM-like reasoning to image synthesis and exhibit divergent response behaviors. We term this phenomenon pseudo-unification. Diagnosing its internal causes is important, but existing probing methods either lack model-internal insight or ignore prompt-response dependencies. To address these limitations, we propose an information-theoretic probing framework that jointly analyzes how UMMs encode inputs and generate outputs. Applied to ten representative UMMs, our framework reveals that pseudo-unification stems from a dual divergence: (i) Modality-Asymmetric Encoding, where vision and language follow different entropy trajectories, and (ii) Pattern-Split Response, where text generation exhibits high-entropy creativity while image synthesis enforces low-entropy fidelity. Only models that unify both sides (e.g., via contextual prediction) achieve more genuine unification, enabling stronger reasoning-based text-to-image generation even with fewer parameters. Our work provides the first model-internal probing of unification, demonstrating that real multimodal synergy requires consistency in information flow, not just shared parameters.

mmlab-hkust MMLab@HKUST
·
Apr 12 2

Deep Research of Deep Research: From Transformer to Agent, From AI to AI for Science

With the advancement of large language models (LLMs) in their knowledge base and reasoning capabilities, their interactive modalities have evolved from pure text to multimodality and further to agentic tool use. Consequently, their applications have broadened from question answering to AI assistants and now to general-purpose agents. Deep research (DR) represents a prototypical vertical application for general-purpose agents, which represents an ideal approach for intelligent information processing and assisting humans in discovering and solving problems, with the goal of reaching or even surpassing the level of top human scientists. This paper provides a deep research of deep research. We articulate a clear and precise definition of deep research and unify perspectives from industry's deep research and academia's AI for Science (AI4S) within a developmental framework. We position LLMs and Stable Diffusion as the twin pillars of generative AI, and lay out a roadmap evolving from the Transformer to agents. We examine the progress of AI4S across various disciplines. We identify the predominant paradigms of human-AI interaction and prevailing system architectures, and discuss the major challenges and fundamental research issues that remain. AI supports scientific innovation, and science also can contribute to AI growth (Science for AI, S4AI). We hope this paper can help bridge the gap between the AI and AI4S communities.

  • 1 authors
·
Mar 29

AI4Research: A Survey of Artificial Intelligence for Scientific Research

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental coding. Motivated by these advancements, numerous studies have explored the application of AI in the innovation process, particularly in the context of scientific research. These AI technologies primarily aim to develop systems that can autonomously conduct research processes across a wide range of scientific disciplines. Despite these significant strides, a comprehensive survey on AI for Research (AI4Research) remains absent, which hampers our understanding and impedes further development in this field. To address this gap, we present a comprehensive survey and offer a unified perspective on AI4Research. Specifically, the main contributions of our work are as follows: (1) Systematic taxonomy: We first introduce a systematic taxonomy to classify five mainstream tasks in AI4Research. (2) New frontiers: Then, we identify key research gaps and highlight promising future directions, focusing on the rigor and scalability of automated experiments, as well as the societal impact. (3) Abundant applications and resources: Finally, we compile a wealth of resources, including relevant multidisciplinary applications, data corpora, and tools. We hope our work will provide the research community with quick access to these resources and stimulate innovative breakthroughs in AI4Research.

  • 16 authors
·
Jul 2, 2025

PnP-U3D: Plug-and-Play 3D Framework Bridging Autoregression and Diffusion for Unified Understanding and Generation

The rapid progress of large multimodal models has inspired efforts toward unified frameworks that couple understanding and generation. While such paradigms have shown remarkable success in 2D, extending them to 3D remains largely underexplored. Existing attempts to unify 3D tasks under a single autoregressive (AR) paradigm lead to significant performance degradation due to forced signal quantization and prohibitive training cost. Our key insight is that the essential challenge lies not in enforcing a unified autoregressive paradigm, but in enabling effective information interaction between generation and understanding while minimally compromising their inherent capabilities and leveraging pretrained models to reduce training cost. Guided by this perspective, we present the first unified framework for 3D understanding and generation that combines autoregression with diffusion. Specifically, we adopt an autoregressive next-token prediction paradigm for 3D understanding, and a continuous diffusion paradigm for 3D generation. A lightweight transformer bridges the feature space of large language models and the conditional space of 3D diffusion models, enabling effective cross-modal information exchange while preserving the priors learned by standalone models. Extensive experiments demonstrate that our framework achieves state-of-the-art performance across diverse 3D understanding and generation benchmarks, while also excelling in 3D editing tasks. These results highlight the potential of unified AR+diffusion models as a promising direction for building more general-purpose 3D intelligence.

  • 7 authors
·
Feb 3

Uni-SMART: Universal Science Multimodal Analysis and Research Transformer

In scientific research and its application, scientific literature analysis is crucial as it allows researchers to build on the work of others. However, the fast growth of scientific knowledge has led to a massive increase in scholarly articles, making in-depth literature analysis increasingly challenging and time-consuming. The emergence of Large Language Models (LLMs) has offered a new way to address this challenge. Known for their strong abilities in summarizing texts, LLMs are seen as a potential tool to improve the analysis of scientific literature. However, existing LLMs have their own limits. Scientific literature often includes a wide range of multimodal elements, such as molecular structure, tables, and charts, which are hard for text-focused LLMs to understand and analyze. This issue points to the urgent need for new solutions that can fully understand and analyze multimodal content in scientific literature. To answer this demand, we present Uni-SMART (Universal Science Multimodal Analysis and Research Transformer), an innovative model designed for in-depth understanding of multimodal scientific literature. Through rigorous quantitative evaluation across several domains, Uni-SMART demonstrates superior performance over leading text-focused LLMs. Furthermore, our exploration extends to practical applications, including patent infringement detection and nuanced analysis of charts. These applications not only highlight Uni-SMART's adaptability but also its potential to revolutionize how we interact with scientific literature.

  • 17 authors
·
Mar 15, 2024 4

LAMBDA: A Large Model Based Data Agent

We introduce ``LAMBDA," a novel open-source, code-free multi-agent data analysis system that that harnesses the power of large models. LAMBDA is designed to address data analysis challenges in complex data-driven applications through the use of innovatively designed data agents that operate iteratively and generatively using natural language. At the core of LAMBDA are two key agent roles: the programmer and the inspector, which are engineered to work together seamlessly. Specifically, the programmer generates code based on the user's instructions and domain-specific knowledge, enhanced by advanced models. Meanwhile, the inspector debugs the code when necessary. To ensure robustness and handle adverse scenarios, LAMBDA features a user interface that allows direct user intervention in the operational loop. Additionally, LAMBDA can flexibly integrate external models and algorithms through our knowledge integration mechanism, catering to the needs of customized data analysis. LAMBDA has demonstrated strong performance on various machine learning datasets. It has the potential to enhance data science practice and analysis paradigm by seamlessly integrating human and artificial intelligence, making it more accessible, effective, and efficient for individuals from diverse backgrounds. The strong performance of LAMBDA in solving data science problems is demonstrated in several case studies, which are presented at https://www.polyu.edu.hk/ama/cmfai/lambda.html.

  • 7 authors
·
Jul 24, 2024 2

Challenge LLMs to Reason About Reasoning: A Benchmark to Unveil Cognitive Depth in LLMs

In this work, we introduce a novel evaluation paradigm for Large Language Models, one that challenges them to engage in meta-reasoning. This approach addresses critical shortcomings in existing math problem-solving benchmarks, traditionally used to evaluate the cognitive capabilities of agents. Our paradigm shifts the focus from result-oriented assessments, which often overlook the reasoning process, to a more holistic evaluation that effectively differentiates the cognitive capabilities among models. For example, in our benchmark, GPT-4 demonstrates a performance ten times more accurate than GPT3-5. The significance of this new paradigm lies in its ability to reveal potential cognitive deficiencies in LLMs that current benchmarks, such as GSM8K, fail to uncover due to their saturation and lack of effective differentiation among varying reasoning abilities. Our comprehensive analysis includes several state-of-the-art math models from both open-source and closed-source communities, uncovering fundamental deficiencies in their training and evaluation approaches. This paper not only advocates for a paradigm shift in the assessment of LLMs but also contributes to the ongoing discourse on the trajectory towards Artificial General Intelligence (AGI). By promoting the adoption of meta-reasoning evaluation methods similar to ours, we aim to facilitate a more accurate assessment of the true cognitive abilities of LLMs.

  • 4 authors
·
Dec 28, 2023

Digital Gene: Learning about the Physical World through Analytic Concepts

Reviewing the progress in artificial intelligence over the past decade, various significant advances (e.g. object detection, image generation, large language models) have enabled AI systems to produce more semantically meaningful outputs and achieve widespread adoption in internet scenarios. Nevertheless, AI systems still struggle when it comes to understanding and interacting with the physical world. This reveals an important issue: relying solely on semantic-level concepts learned from internet data (e.g. texts, images) to understand the physical world is far from sufficient -- machine intelligence currently lacks an effective way to learn about the physical world. This research introduces the idea of analytic concept -- representing the concepts related to the physical world through programs of mathematical procedures, providing machine intelligence a portal to perceive, reason about, and interact with the physical world. Except for detailing the design philosophy and providing guidelines for the application of analytic concepts, this research also introduce about the infrastructure that has been built around analytic concepts. I aim for my research to contribute to addressing these questions: What is a proper abstraction of general concepts in the physical world for machine intelligence? How to systematically integrate structured priors with neural networks to constrain AI systems to comply with physical laws?

  • 2 authors
·
Apr 5, 2025

Unified Multimodal Understanding and Generation Models: Advances, Challenges, and Opportunities

Recent years have seen remarkable progress in both multimodal understanding models and image generation models. Despite their respective successes, these two domains have evolved independently, leading to distinct architectural paradigms: While autoregressive-based architectures have dominated multimodal understanding, diffusion-based models have become the cornerstone of image generation. Recently, there has been growing interest in developing unified frameworks that integrate these tasks. The emergence of GPT-4o's new capabilities exemplifies this trend, highlighting the potential for unification. However, the architectural differences between the two domains pose significant challenges. To provide a clear overview of current efforts toward unification, we present a comprehensive survey aimed at guiding future research. First, we introduce the foundational concepts and recent advancements in multimodal understanding and text-to-image generation models. Next, we review existing unified models, categorizing them into three main architectural paradigms: diffusion-based, autoregressive-based, and hybrid approaches that fuse autoregressive and diffusion mechanisms. For each category, we analyze the structural designs and innovations introduced by related works. Additionally, we compile datasets and benchmarks tailored for unified models, offering resources for future exploration. Finally, we discuss the key challenges facing this nascent field, including tokenization strategy, cross-modal attention, and data. As this area is still in its early stages, we anticipate rapid advancements and will regularly update this survey. Our goal is to inspire further research and provide a valuable reference for the community. The references associated with this survey are available on GitHub (https://github.com/AIDC-AI/Awesome-Unified-Multimodal-Models).

  • 10 authors
·
May 5, 2025 5

Experimenting with Multi-Agent Software Development: Towards a Unified Platform

Large language models are redefining software engineering by implementing AI-powered techniques throughout the whole software development process, including requirement gathering, software architecture, code generation, testing, and deployment. However, it is still difficult to develop a cohesive platform that consistently produces the best outcomes across all stages. The objective of this study is to develop a unified platform that utilizes multiple artificial intelligence agents to automate the process of transforming user requirements into well-organized deliverables. These deliverables include user stories, prioritization, and UML sequence diagrams, along with the modular approach to APIs, unit tests, and end-to-end tests. Additionally, the platform will organize tasks, perform security and compliance, and suggest design patterns and improvements for non-functional requirements. We allow users to control and manage each phase according to their preferences. In addition, the platform provides security and compliance checks following European standards and proposes design optimizations. We use multiple models, such as GPT-3.5, GPT-4, and Llama3 to enable to generation of modular code as per user choice. The research also highlights the limitations and future research discussions to overall improve the software development life cycle. The source code for our uniform platform is hosted on GitHub, enabling additional experimentation and supporting both research and practical uses. \end

  • 6 authors
·
Jun 8, 2024

On Behalf of the Stakeholders: Trends in NLP Model Interpretability in the Era of LLMs

Recent advancements in NLP systems, particularly with the introduction of LLMs, have led to widespread adoption of these systems by a broad spectrum of users across various domains, impacting decision-making, the job market, society, and scientific research. This surge in usage has led to an explosion in NLP model interpretability and analysis research, accompanied by numerous technical surveys. Yet, these surveys often overlook the needs and perspectives of explanation stakeholders. In this paper, we address three fundamental questions: Why do we need interpretability, what are we interpreting, and how? By exploring these questions, we examine existing interpretability paradigms, their properties, and their relevance to different stakeholders. We further explore the practical implications of these paradigms by analyzing trends from the past decade across multiple research fields. To this end, we retrieved thousands of papers and employed an LLM to characterize them. Our analysis reveals significant disparities between NLP developers and non-developer users, as well as between research fields, underscoring the diverse needs of stakeholders. For example, explanations of internal model components are rarely used outside the NLP field. We hope this paper informs the future design, development, and application of methods that align with the objectives and requirements of various stakeholders.

  • 2 authors
·
Jul 27, 2024

BioAnalyst: A Foundation Model for Biodiversity

The accelerating loss of biodiversity presents critical challenges for ecological research and conservation strategies. The preservation of biodiversity is paramount for maintaining ecological balance and ensuring the sustainability of ecosystems. However, biodiversity faces numerous threats, including habitat loss, climate change, and the proliferation of invasive species. Addressing these and other ecology-related challenges, both at local and global scales, requires comprehensive monitoring, predictive and conservation planning capabilities. Artificial Intelligence (AI) Foundation Models (FMs) have gained significant momentum in numerous scientific domains by leveraging vast datasets to learn general-purpose representations adaptable to various downstream tasks. This paradigm holds immense promise for biodiversity conservation. In response, we introduce BioAnalyst, the first Foundation Model tailored for biodiversity analysis and conservation planning. BioAnalyst employs a transformer-based architecture, pre-trained on extensive multi-modal datasets encompassing species occurrence records, remote sensing indicators, climate and environmental variables. BioAnalyst is designed for adaptability, allowing for fine-tuning of a range of downstream tasks, such as species distribution modelling, habitat suitability assessments, invasive species detection, and population trend forecasting. We evaluate the model's performance on two downstream use cases, demonstrating its generalisability compared to existing methods, particularly in data-scarce scenarios for two distinct use-cases, establishing a new accuracy baseline for ecological forecasting. By openly releasing BioAnalyst and its fine-tuning workflows to the scientific community, we aim to foster collaborative efforts in biodiversity modelling and advance AI-driven solutions to pressing ecological challenges.

  • 7 authors
·
Jul 11, 2025

GAIA Search: Hugging Face and Pyserini Interoperability for NLP Training Data Exploration

Noticing the urgent need to provide tools for fast and user-friendly qualitative analysis of large-scale textual corpora of the modern NLP, we propose to turn to the mature and well-tested methods from the domain of Information Retrieval (IR) - a research field with a long history of tackling TB-scale document collections. We discuss how Pyserini - a widely used toolkit for reproducible IR research can be integrated with the Hugging Face ecosystem of open-source AI libraries and artifacts. We leverage the existing functionalities of both platforms while proposing novel features further facilitating their integration. Our goal is to give NLP researchers tools that will allow them to develop retrieval-based instrumentation for their data analytics needs with ease and agility. We include a Jupyter Notebook-based walk through the core interoperability features, available on GitHub at https://github.com/huggingface/gaia. We then demonstrate how the ideas we present can be operationalized to create a powerful tool for qualitative data analysis in NLP. We present GAIA Search - a search engine built following previously laid out principles, giving access to four popular large-scale text collections. GAIA serves a dual purpose of illustrating the potential of methodologies we discuss but also as a standalone qualitative analysis tool that can be leveraged by NLP researchers aiming to understand datasets prior to using them in training. GAIA is hosted live on Hugging Face Spaces - https://huggingface.co/spaces/spacerini/gaia.

  • 9 authors
·
Jun 2, 2023

Unified Model for Image, Video, Audio and Language Tasks

Large Language Models (LLMs) have made the ambitious quest for generalist agents significantly far from being a fantasy. A key hurdle for building such general models is the diversity and heterogeneity of tasks and modalities. A promising solution is unification, allowing the support of a myriad of tasks and modalities within one unified framework. While few large models (e.g., Flamingo (Alayrac et al., 2022), trained on massive datasets, can support more than two modalities, current small to mid-scale unified models are still limited to 2 modalities, usually image-text or video-text. The question that we ask is: is it possible to build efficiently a unified model that can support all modalities? To answer this, we propose UnIVAL, a step further towards this ambitious goal. Without relying on fancy datasets sizes or models with billions of parameters, the ~ 0.25B parameter UnIVAL model goes beyond two modalities and unifies text, images, video, and audio into a single model. Our model is efficiently pretrained on many tasks, based on task balancing and multimodal curriculum learning. UnIVAL shows competitive performance to existing state-of-the-art approaches, across image and video-text tasks. The feature representations learned from image and video-text modalities, allows the model to achieve competitive performance when finetuned on audio-text tasks, despite not being pretrained on audio. Thanks to the unified model, we propose a novel study on multimodal model merging via weight interpolation of models trained on different multimodal tasks, showing their benefits in particular for out-of-distribution generalization. Finally, we motivate unification by showing the synergy between tasks. The model weights and code are released here: https://github.com/mshukor/UnIVAL.

  • 4 authors
·
Jul 30, 2023 1

AI Agents vs. Agentic AI: A Conceptual Taxonomy, Applications and Challenge

This study critically distinguishes between AI Agents and Agentic AI, offering a structured conceptual taxonomy, application mapping, and challenge analysis to clarify their divergent design philosophies and capabilities. We begin by outlining the search strategy and foundational definitions, characterizing AI Agents as modular systems driven by Large Language Models (LLMs) and Large Image Models (LIMs) for narrow, task-specific automation. Generative AI is positioned as a precursor, with AI Agents advancing through tool integration, prompt engineering, and reasoning enhancements. In contrast, Agentic AI systems represent a paradigmatic shift marked by multi-agent collaboration, dynamic task decomposition, persistent memory, and orchestrated autonomy. Through a sequential evaluation of architectural evolution, operational mechanisms, interaction styles, and autonomy levels, we present a comparative analysis across both paradigms. Application domains such as customer support, scheduling, and data summarization are contrasted with Agentic AI deployments in research automation, robotic coordination, and medical decision support. We further examine unique challenges in each paradigm including hallucination, brittleness, emergent behavior, and coordination failure and propose targeted solutions such as ReAct loops, RAG, orchestration layers, and causal modeling. This work aims to provide a definitive roadmap for developing robust, scalable, and explainable AI agent and Agentic AI-driven systems. >AI Agents, Agent-driven, Vision-Language-Models, Agentic AI Decision Support System, Agentic-AI Applications

  • 3 authors
·
May 15, 2025 2

Foundation Models for Decision Making: Problems, Methods, and Opportunities

Foundation models pretrained on diverse data at scale have demonstrated extraordinary capabilities in a wide range of vision and language tasks. When such models are deployed in real world environments, they inevitably interface with other entities and agents. For example, language models are often used to interact with human beings through dialogue, and visual perception models are used to autonomously navigate neighborhood streets. In response to these developments, new paradigms are emerging for training foundation models to interact with other agents and perform long-term reasoning. These paradigms leverage the existence of ever-larger datasets curated for multimodal, multitask, and generalist interaction. Research at the intersection of foundation models and decision making holds tremendous promise for creating powerful new systems that can interact effectively across a diverse range of applications such as dialogue, autonomous driving, healthcare, education, and robotics. In this manuscript, we examine the scope of foundation models for decision making, and provide conceptual tools and technical background for understanding the problem space and exploring new research directions. We review recent approaches that ground foundation models in practical decision making applications through a variety of methods such as prompting, conditional generative modeling, planning, optimal control, and reinforcement learning, and discuss common challenges and open problems in the field.

  • 6 authors
·
Mar 7, 2023

What it takes to solve the Origin(s) of Life: An integrated review of techniques

Understanding the origin(s) of life (OoL) is a fundamental challenge for science in the 21st century. Research on OoL spans many disciplines, including chemistry, physics, biology, planetary sciences, computer science, mathematics and philosophy. The sheer number of different scientific perspectives relevant to the problem has resulted in the coexistence of diverse tools, techniques, data, and software in OoL studies. This has made communication between the disciplines relevant to the OoL extremely difficult because the interpretation of data, analyses, or standards of evidence can vary dramatically. Here, we hope to bridge this wide field of study by providing common ground via the consolidation of tools and techniques rather than positing a unifying view on how life emerges. We review the common tools and techniques that have been used significantly in OoL studies in recent years. In particular, we aim to identify which information is most relevant for comparing and integrating the results of experimental analyses into mathematical and computational models. This review aims to provide a baseline expectation and understanding of technical aspects of origins research, rather than being a primer on any particular topic. As such, it spans broadly -- from analytical chemistry to mathematical models -- and highlights areas of future work that will benefit from a multidisciplinary approach to tackling the mystery of life's origin. Ultimately, we hope to empower a new generation of OoL scientists by reviewing how they can investigate life's origin, rather than dictating how to think about the problem.

  • 38 authors
·
Aug 22, 2023

UniBiomed: A Universal Foundation Model for Grounded Biomedical Image Interpretation

Multi-modal interpretation of biomedical images opens up novel opportunities in biomedical image analysis. Conventional AI approaches typically rely on disjointed training, i.e., Large Language Models (LLMs) for clinical text generation and segmentation models for target extraction, which results in inflexible real-world deployment and a failure to leverage holistic biomedical information. To this end, we introduce UniBiomed, the first universal foundation model for grounded biomedical image interpretation. UniBiomed is based on a novel integration of Multi-modal Large Language Model (MLLM) and Segment Anything Model (SAM), which effectively unifies the generation of clinical texts and the segmentation of corresponding biomedical objects for grounded interpretation. In this way, UniBiomed is capable of tackling a wide range of biomedical tasks across ten diverse biomedical imaging modalities. To develop UniBiomed, we curate a large-scale dataset comprising over 27 million triplets of images, annotations, and text descriptions across ten imaging modalities. Extensive validation on 84 internal and external datasets demonstrated that UniBiomed achieves state-of-the-art performance in segmentation, disease recognition, region-aware diagnosis, visual question answering, and report generation. Moreover, unlike previous models that rely on clinical experts to pre-diagnose images and manually craft precise textual or visual prompts, UniBiomed can provide automated and end-to-end grounded interpretation for biomedical image analysis. This represents a novel paradigm shift in clinical workflows, which will significantly improve diagnostic efficiency. In summary, UniBiomed represents a novel breakthrough in biomedical AI, unlocking powerful grounded interpretation capabilities for more accurate and efficient biomedical image analysis.

  • 5 authors
·
Apr 30, 2025 4

The Evolving Role of Large Language Models in Scientific Innovation: Evaluator, Collaborator, and Scientist

Scientific innovation is undergoing a paradigm shift driven by the rapid advancement of Large Language Models (LLMs). As science faces mounting challenges including information overload, disciplinary silos, and diminishing returns on conventional research methods, LLMs are emerging as powerful agents capable not only of enhancing scientific workflows but also of participating in and potentially leading the innovation process. Existing surveys mainly focus on different perspectives, phrases, and tasks in scientific research and discovery, while they have limitations in understanding the transformative potential and role differentiation of LLM. This survey proposes a comprehensive framework to categorize the evolving roles of LLMs in scientific innovation across three hierarchical levels: Evaluator, Collaborator, and Scientist. We distinguish between LLMs' contributions to structured scientific research processes and open-ended scientific discovery, thereby offering a unified taxonomy that clarifies capability boundaries, evaluation criteria, and human-AI interaction patterns at each level. Through an extensive analysis of current methodologies, benchmarks, systems, and evaluation metrics, this survey delivers an in-depth and systematic synthesis on LLM-driven scientific innovation. We present LLMs not only as tools for automating existing processes, but also as catalysts capable of reshaping the epistemological foundations of science itself. This survey offers conceptual clarity, practical guidance, and theoretical foundations for future research, while also highlighting open challenges and ethical considerations in the pursuit of increasingly autonomous AI-driven science. Resources related to this survey can be accessed on GitHub at: https://github.com/haoxuan-unt2024/llm4innovation.

  • 7 authors
·
Jul 15, 2025

UnifiedMLLM: Enabling Unified Representation for Multi-modal Multi-tasks With Large Language Model

Significant advancements has recently been achieved in the field of multi-modal large language models (MLLMs), demonstrating their remarkable capabilities in understanding and reasoning across diverse tasks. However, these models are often trained for specific tasks and rely on task-specific input-output formats, limiting their applicability to a broader range of tasks. This raises a fundamental question: Can we develop a unified approach to represent and handle different multi-modal tasks to maximize the generalizability of MLLMs? In this paper, we propose UnifiedMLLM, a comprehensive model designed to represent various tasks using a unified representation. Our model exhibits strong capabilities in comprehending the implicit intent of user instructions and preforming reasoning. In addition to generating textual responses, our model also outputs task tokens and grounding tokens, serving as indicators of task types and task granularity. These outputs are subsequently routed through the task router and directed to specific expert models for task completion. To train our model, we construct a task-specific dataset and an 100k multi-task dataset encompassing complex scenarios. Employing a three-stage training strategy, we equip our model with robust reasoning and task processing capabilities while preserving its generalization capacity and knowledge reservoir. Extensive experiments showcase the impressive performance of our unified representation approach across various tasks, surpassing existing methodologies. Furthermore, our approach exhibits exceptional scalability and generality. Our code, model, and dataset will be available at https://github.com/lzw-lzw/UnifiedMLLM.

  • 10 authors
·
Aug 5, 2024

FML-bench: A Benchmark for Automatic ML Research Agents Highlighting the Importance of Exploration Breadth

Large language models (LLMs) have sparked growing interest in automatic machine learning research agents. Among them, agents capable of autonomously proposing ideas and conducting machine learning experiments are particularly promising, as they maximize research automation and accelerate scientific progress by iteratively refining ideas based on experimental results. However, comprehensively evaluating such agents remains challenging. Existing benchmarks tend to overemphasize engineering aspects while neglecting academic rigor, creating barriers that obscure a clear assessment of an agent's scientific capabilities in machine learning research. They also suffer from limited task diversity, an overemphasis on application-oriented tasks over fundamental research problems, and limited scalability to realistic research settings. To address these limitations, we introduce FML-bench, a benchmark designed to evaluate automatic machine learning research agents on 8 diverse and fundamental machine learning research problems. It reduces coding burden, emphasizes fundamental problems rather than specific use cases, offers high task diversity, and is extensible to real-world machine learning GitHub repositories. Furthermore, we present a unified evaluation framework with five complementary metrics, designed to comprehensively assess agent performance on our benchmark. We evaluate state-of-the-art automatic research agents on FML-bench, and find that agents employing broad research exploration strategies outperform those focusing on narrow but deep exploration. These findings suggest that emphasizing the breadth of exploration may lead to more effective research outcomes than focusing solely on incremental refinement. Our benchmark is available at https://github.com/qrzou/FML-bench.

Foundations of Artificial Intelligence Frameworks: Notion and Limits of AGI

Within the limited scope of this paper, we argue that artificial general intelligence cannot emerge from current neural network paradigms regardless of scale, nor is such an approach healthy for the field at present. Drawing on various notions, discussions, present-day developments and observations, current debates and critiques, experiments, and so on in between philosophy, including the Chinese Room Argument and Gödelian argument, neuroscientific ideas, computer science, the theoretical consideration of artificial intelligence, and learning theory, we address conceptually that neural networks are architecturally insufficient for genuine understanding. They operate as static function approximators of a limited encoding framework - a 'sophisticated sponge' exhibiting complex behaviours without structural richness that constitute intelligence. We critique the theoretical foundations the field relies on and created of recent times; for example, an interesting heuristic as neural scaling law (as an example, arXiv:2001.08361 ) made prominent in a wrong way of interpretation, The Universal Approximation Theorem addresses the wrong level of abstraction and, in parts, partially, the question of current architectures lacking dynamic restructuring capabilities. We propose a framework distinguishing existential facilities (computational substrate) from architectural organization (interpretive structures), and outline principles for what genuine machine intelligence would require, and furthermore, a conceptual method of structuralizing the richer framework on which the principle of neural network system takes hold.

  • 1 authors
·
Nov 23, 2025

Vibe AIGC: A New Paradigm for Content Generation via Agentic Orchestration

For the past decade, the trajectory of generative artificial intelligence (AI) has been dominated by a model-centric paradigm driven by scaling laws. Despite significant leaps in visual fidelity, this approach has encountered a ``usability ceiling'' manifested as the Intent-Execution Gap (i.e., the fundamental disparity between a creator's high-level intent and the stochastic, black-box nature of current single-shot models). In this paper, inspired by the Vibe Coding, we introduce the Vibe AIGC, a new paradigm for content generation via agentic orchestration, which represents the autonomous synthesis of hierarchical multi-agent workflows. Under this paradigm, the user's role transcends traditional prompt engineering, evolving into a Commander who provides a Vibe, a high-level representation encompassing aesthetic preferences, functional logic, and etc. A centralized Meta-Planner then functions as a system architect, deconstructing this ``Vibe'' into executable, verifiable, and adaptive agentic pipelines. By transitioning from stochastic inference to logical orchestration, Vibe AIGC bridges the gap between human imagination and machine execution. We contend that this shift will redefine the human-AI collaborative economy, transforming AI from a fragile inference engine into a robust system-level engineering partner that democratizes the creation of complex, long-horizon digital assets.

Dolphin: Closed-loop Open-ended Auto-research through Thinking, Practice, and Feedback

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by improving data analysis, accelerating computation, and fostering novel idea generation. To further move towards the ultimate goal (i.e., automatic scientific research), in this paper, we propose Dolphin, the first closed-loop open-ended auto-research framework to further build the entire process of human scientific research. Dolphin can generate research ideas, perform experiments, and get feedback from experimental results to generate higher-quality ideas. More specifically, Dolphin first generates novel ideas based on relevant papers which are ranked by the topic and task attributes. Then, the codes are automatically generated and debugged with the exception-traceback-guided local code structure. Finally, Dolphin automatically analyzes the results of each idea and feeds the results back to the next round of idea generation. Experiments are conducted on the benchmark datasets of different topics and results show that Dolphin can generate novel ideas continuously and complete the experiment in a loop. We highlight that Dolphin can automatically propose methods that are comparable to the state-of-the-art in some tasks such as 2D image classification and 3D point classification.

  • 9 authors
·
Jan 7, 2025 3

The Open Source Advantage in Large Language Models (LLMs)

Large language models (LLMs) mark a key shift in natural language processing (NLP), having advanced text generation, translation, and domain-specific reasoning. Closed-source models like GPT-4, powered by proprietary datasets and extensive computational resources, lead with state-of-the-art performance today. However, they face criticism for their "black box" nature and for limiting accessibility in a manner that hinders reproducibility and equitable AI development. By contrast, open-source initiatives like LLaMA and BLOOM prioritize democratization through community-driven development and computational efficiency. These models have significantly reduced performance gaps, particularly in linguistic diversity and domain-specific applications, while providing accessible tools for global researchers and developers. Notably, both paradigms rely on foundational architectural innovations, such as the Transformer framework by Vaswani et al. (2017). Closed-source models excel by scaling effectively, while open-source models adapt to real-world applications in underrepresented languages and domains. Techniques like Low-Rank Adaptation (LoRA) and instruction-tuning datasets enable open-source models to achieve competitive results despite limited resources. To be sure, the tension between closed-source and open-source approaches underscores a broader debate on transparency versus proprietary control in AI. Ethical considerations further highlight this divide. Closed-source systems restrict external scrutiny, while open-source models promote reproducibility and collaboration but lack standardized auditing documentation frameworks to mitigate biases. Hybrid approaches that leverage the strengths of both paradigms are likely to shape the future of LLM innovation, ensuring accessibility, competitive technical performance, and ethical deployment.

  • 4 authors
·
Dec 16, 2024 2

Data Science and Technology Towards AGI Part I: Tiered Data Management

The development of artificial intelligence can be viewed as an evolution of data-driven learning paradigms, with successive shifts in data organization and utilization continuously driving advances in model capability. Current LLM research is dominated by a paradigm that relies heavily on unidirectional scaling of data size, increasingly encountering bottlenecks in data availability, acquisition cost, and training efficiency. In this work, we argue that the development of AGI is entering a new phase of data-model co-evolution, in which models actively guide data management while high-quality data, in turn, amplifies model capabilities. To implement this vision, we propose a tiered data management framework, designed to support the full LLM training lifecycle across heterogeneous learning objectives and cost constraints. Specifically, we introduce an L0-L4 tiered data management framework, ranging from raw uncurated resources to organized and verifiable knowledge. Importantly, LLMs are fully used in data management processes, such as quality scoring and content editing, to refine data across tiers. Each tier is characterized by distinct data properties, management strategies, and training roles, enabling data to be strategically allocated across LLM training stages, including pre-training, mid-training, and alignment. The framework balances data quality, acquisition cost, and marginal training benefit, providing a systematic approach to scalable and sustainable data management. We validate the effectiveness of the proposed framework through empirical studies, in which tiered datasets are constructed from raw corpora and used across multiple training phases. Experimental results demonstrate that tier-aware data utilization significantly improves training efficiency and model performance. To facilitate further research, we release our tiered datasets and processing tools to the community.

openbmb OpenBMB
·
Feb 9 3

UniT: Unified Multimodal Chain-of-Thought Test-time Scaling

Unified models can handle both multimodal understanding and generation within a single architecture, yet they typically operate in a single pass without iteratively refining their outputs. Many multimodal tasks, especially those involving complex spatial compositions, multiple interacting objects, or evolving instructions, require decomposing instructions, verifying intermediate results, and making iterative corrections. While test-time scaling (TTS) has demonstrated that allocating additional inference compute for iterative reasoning substantially improves language model performance, extending this paradigm to unified multimodal models remains an open challenge. We introduce UniT, a framework for multimodal chain-of-thought test-time scaling that enables a single unified model to reason, verify, and refine across multiple rounds. UniT combines agentic data synthesis, unified model training, and flexible test-time inference to elicit cognitive behaviors including verification, subgoal decomposition, and content memory. Our key findings are: (1) unified models trained on short reasoning trajectories generalize to longer inference chains at test time; (2) sequential chain-of-thought reasoning provides a more scalable and compute-efficient TTS strategy than parallel sampling; (3) training on generation and editing trajectories improves out-of-distribution visual reasoning. These results establish multimodal test-time scaling as an effective paradigm for advancing both generation and understanding in unified models.

  • 14 authors
·
Feb 12 2

Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition

Foundation models (FMs), such as GPT-4 and AlphaFold, are reshaping the landscape of scientific research. Beyond accelerating tasks such as hypothesis generation, experimental design, and result interpretation, they prompt a more fundamental question: Are FMs merely enhancing existing scientific methodologies, or are they redefining the way science is conducted? In this paper, we argue that FMs are catalyzing a transition toward a new scientific paradigm. We introduce a three-stage framework to describe this evolution: (1) Meta-Scientific Integration, where FMs enhance workflows within traditional paradigms; (2) Hybrid Human-AI Co-Creation, where FMs become active collaborators in problem formulation, reasoning, and discovery; and (3) Autonomous Scientific Discovery, where FMs operate as independent agents capable of generating new scientific knowledge with minimal human intervention. Through this lens, we review current applications and emerging capabilities of FMs across existing scientific paradigms. We further identify risks and future directions for FM-enabled scientific discovery. This position paper aims to support the scientific community in understanding the transformative role of FMs and to foster reflection on the future of scientific discovery. Our project is available at https://github.com/usail-hkust/Awesome-Foundation-Models-for-Scientific-Discovery.

usail-hkust usail-hkust
·
Oct 16, 2025 4

LiveResearchBench: A Live Benchmark for User-Centric Deep Research in the Wild

Deep research -- producing comprehensive, citation-grounded reports by searching and synthesizing information from hundreds of live web sources -- marks an important frontier for agentic systems. To rigorously evaluate this ability, four principles are essential: tasks should be (1) user-centric, reflecting realistic information needs, (2) dynamic, requiring up-to-date information beyond parametric knowledge, (3) unambiguous, ensuring consistent interpretation across users, and (4) multi-faceted and search-intensive, requiring search over numerous web sources and in-depth analysis. Existing benchmarks fall short of these principles, often focusing on narrow domains or posing ambiguous questions that hinder fair comparison. Guided by these principles, we introduce LiveResearchBench, a benchmark of 100 expert-curated tasks spanning daily life, enterprise, and academia, each requiring extensive, dynamic, real-time web search and synthesis. Built with over 1,500 hours of human labor, LiveResearchBench provides a rigorous basis for systematic evaluation. To evaluate citation-grounded long-form reports, we introduce DeepEval, a comprehensive suite covering both content- and report-level quality, including coverage, presentation, citation accuracy and association, consistency and depth of analysis. DeepEval integrates four complementary evaluation protocols, each designed to ensure stable assessment and high agreement with human judgments. Using LiveResearchBench and DeepEval, we conduct a comprehensive evaluation of 17 frontier deep research systems, including single-agent web search, single-agent deep research, and multi-agent systems. Our analysis reveals current strengths, recurring failure modes, and key system components needed to advance reliable, insightful deep research.

Salesforce Salesforce AI Research
·
Oct 15, 2025 3

Advances in Artificial Intelligence: A Review for the Creative Industries

Artificial intelligence (AI) has undergone transformative advances since 2022, particularly through generative AI, large language models (LLMs), and diffusion models, fundamentally reshaping the creative industries. However, existing reviews have not comprehensively addressed these recent breakthroughs and their integrated impact across the creative production pipeline. This paper addresses this gap by providing a systematic review of AI technologies that have emerged or matured since our 2022 review, examining their applications across content creation, information analysis, post-production enhancement, compression, and quality assessment. We document how transformers, LLMs, diffusion models, and implicit neural representations have established new capabilities in text-to-image/video generation, real-time 3D reconstruction, and unified multi-task frameworks-shifting AI from support tool to core creative technology. Beyond technological advances, we analyze the trend toward unified AI frameworks that integrate multiple creative tasks, replacing task-specific solutions. We critically examine the evolving role of human-AI collaboration, where human oversight remains essential for creative direction and mitigating AI hallucinations. Finally, we identify emerging challenges including copyright concerns, bias mitigation, computational demands, and the need for robust regulatory frameworks. This review provides researchers and practitioners with a comprehensive understanding of current AI capabilities, limitations, and future trajectories in creative applications.

  • 3 authors
·
Jan 5, 2025

Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.

  • 4 authors
·
Apr 27, 2021

Machine Learning and Deep Learning -- A review for Ecologists

1. The popularity of Machine learning (ML), Deep learning (DL), and Artificial intelligence (AI) has risen sharply in recent years. Despite this spike in popularity, the inner workings of ML and DL algorithms are often perceived as opaque, and their relationship to classical data analysis tools remains debated. 2. Although it is often assumed that ML and DL excel primarily at making predictions, ML and DL can also be used for analytical tasks traditionally addressed with statistical models. Moreover, most recent discussions and reviews on ML focus mainly on DL, missing out on synthesizing the wealth of ML algorithms with different advantages and general principles. 3. Here, we provide a comprehensive overview of the field of ML and DL, starting by summarizing its historical developments, existing algorithm families, differences to traditional statistical tools, and universal ML principles. We then discuss why and when ML and DL models excel at prediction tasks and where they could offer alternatives to traditional statistical methods for inference, highlighting current and emerging applications for ecological problems. Finally, we summarize emerging trends such as scientific and causal ML, explainable AI, and responsible AI that may significantly impact ecological data analysis in the future. 4. We conclude that ML and DL are powerful new tools for predictive modeling and data analysis. The superior performance of ML and DL algorithms compared to statistical models can be explained by their higher flexibility and automatic data-dependent complexity optimization. However, their use for causal inference is still disputed as the focus of ML and DL methods on predictions creates challenges for the interpretation of these models. Nevertheless, we expect ML and DL to become an indispensable tool in E&E, comparable to other traditional statistical tools.

  • 2 authors
·
Apr 11, 2022

Dynamic Normativity: Necessary and Sufficient Conditions for Value Alignment

The critical inquiry pervading the realm of Philosophy, and perhaps extending its influence across all Humanities disciplines, revolves around the intricacies of morality and normativity. Surprisingly, in recent years, this thematic thread has woven its way into an unexpected domain, one not conventionally associated with pondering "what ought to be": the field of artificial intelligence (AI) research. Central to morality and AI, we find "alignment", a problem related to the challenges of expressing human goals and values in a manner that artificial systems can follow without leading to unwanted adversarial effects. More explicitly and with our current paradigm of AI development in mind, we can think of alignment as teaching human values to non-anthropomorphic entities trained through opaque, gradient-based learning techniques. This work addresses alignment as a technical-philosophical problem that requires solid philosophical foundations and practical implementations that bring normative theory to AI system development. To accomplish this, we propose two sets of necessary and sufficient conditions that, we argue, should be considered in any alignment process. While necessary conditions serve as metaphysical and metaethical roots that pertain to the permissibility of alignment, sufficient conditions establish a blueprint for aligning AI systems under a learning-based paradigm. After laying such foundations, we present implementations of this approach by using state-of-the-art techniques and methods for aligning general-purpose language systems. We call this framework Dynamic Normativity. Its central thesis is that any alignment process under a learning paradigm that cannot fulfill its necessary and sufficient conditions will fail in producing aligned systems.

  • 1 authors
·
Jun 16, 2024

From Features to Actions: Explainability in Traditional and Agentic AI Systems

Over the last decade, explainable AI has primarily focused on interpreting individual model predictions, producing post-hoc explanations that relate inputs to outputs under a fixed decision structure. Recent advances in large language models (LLMs) have enabled agentic AI systems whose behaviour unfolds over multi-step trajectories. In these settings, success and failure are determined by sequences of decisions rather than a single output. While useful, it remains unclear how explanation approaches designed for static predictions translate to agentic settings where behaviour emerges over time. In this work, we bridge the gap between static and agentic explainability by comparing attribution-based explanations with trace-based diagnostics across both settings. To make this distinction explicit, we empirically compare attribution-based explanations used in static classification tasks with trace-based diagnostics used in agentic benchmarks (TAU-bench Airline and AssistantBench). Our results show that while attribution methods achieve stable feature rankings in static settings (Spearman ρ= 0.86), they cannot be applied reliably to diagnose execution-level failures in agentic trajectories. In contrast, trace-grounded rubric evaluation for agentic settings consistently localizes behaviour breakdowns and reveals that state tracking inconsistency is 2.7times more prevalent in failed runs and reduces success probability by 49\%. These findings motivate a shift towards trajectory-level explainability for agentic systems when evaluating and diagnosing autonomous AI behaviour. Resources: https://github.com/VectorInstitute/unified-xai-evaluation-framework https://vectorinstitute.github.io/unified-xai-evaluation-framework

Bridging the Gap: Integrating Ethics and Environmental Sustainability in AI Research and Practice

As the possibilities for Artificial Intelligence (AI) have grown, so have concerns regarding its impacts on society and the environment. However, these issues are often raised separately; i.e. carbon footprint analyses of AI models typically do not consider how the pursuit of scale has contributed towards building models that are both inaccessible to most researchers in terms of cost and disproportionately harmful to the environment. On the other hand, model audits that aim to evaluate model performance and disparate impacts mostly fail to engage with the environmental ramifications of AI models and how these fit into their auditing approaches. In this separation, both research directions fail to capture the depth of analysis that can be explored by considering the two in parallel and the potential solutions for making informed choices that can be developed at their convergence. In this essay, we build upon work carried out in AI and in sister communities, such as philosophy and sustainable development, to make more deliberate connections around topics such as generalizability, transparency, evaluation and equity across AI research and practice. We argue that the efforts aiming to study AI's ethical ramifications should be made in tandem with those evaluating its impacts on the environment, and we conclude with a proposal of best practices to better integrate AI ethics and sustainability in AI research and practice.

  • 4 authors
·
Apr 1, 2025

On the Opportunities and Risks of Foundation Models

AI is undergoing a paradigm shift with the rise of models (e.g., BERT, DALL-E, GPT-3) that are trained on broad data at scale and are adaptable to a wide range of downstream tasks. We call these models foundation models to underscore their critically central yet incomplete character. This report provides a thorough account of the opportunities and risks of foundation models, ranging from their capabilities (e.g., language, vision, robotics, reasoning, human interaction) and technical principles(e.g., model architectures, training procedures, data, systems, security, evaluation, theory) to their applications (e.g., law, healthcare, education) and societal impact (e.g., inequity, misuse, economic and environmental impact, legal and ethical considerations). Though foundation models are based on standard deep learning and transfer learning, their scale results in new emergent capabilities,and their effectiveness across so many tasks incentivizes homogenization. Homogenization provides powerful leverage but demands caution, as the defects of the foundation model are inherited by all the adapted models downstream. Despite the impending widespread deployment of foundation models, we currently lack a clear understanding of how they work, when they fail, and what they are even capable of due to their emergent properties. To tackle these questions, we believe much of the critical research on foundation models will require deep interdisciplinary collaboration commensurate with their fundamentally sociotechnical nature.

  • 114 authors
·
Aug 16, 2021

Beyond Pipelines: A Survey of the Paradigm Shift toward Model-Native Agentic AI

The rapid evolution of agentic AI marks a new phase in artificial intelligence, where Large Language Models (LLMs) no longer merely respond but act, reason, and adapt. This survey traces the paradigm shift in building agentic AI: from Pipeline-based systems, where planning, tool use, and memory are orchestrated by external logic, to the emerging Model-native paradigm, where these capabilities are internalized within the model's parameters. We first position Reinforcement Learning (RL) as the algorithmic engine enabling this paradigm shift. By reframing learning from imitating static data to outcome-driven exploration, RL underpins a unified solution of LLM + RL + Task across language, vision and embodied domains. Building on this, the survey systematically reviews how each capability -- Planning, Tool use, and Memory -- has evolved from externally scripted modules to end-to-end learned behaviors. Furthermore, it examines how this paradigm shift has reshaped major agent applications, specifically the Deep Research agent emphasizing long-horizon reasoning and the GUI agent emphasizing embodied interaction. We conclude by discussing the continued internalization of agentic capabilities like Multi-agent collaboration and Reflection, alongside the evolving roles of the system and model layers in future agentic AI. Together, these developments outline a coherent trajectory toward model-native agentic AI as an integrated learning and interaction framework, marking the transition from constructing systems that apply intelligence to developing models that grow intelligence through experience.

AI Flow: Perspectives, Scenarios, and Approaches

Pioneered by the foundational information theory by Claude Shannon and the visionary framework of machine intelligence by Alan Turing, the convergent evolution of information and communication technologies (IT/CT) has created an unbroken wave of connectivity and computation. This synergy has sparked a technological revolution, now reaching its peak with large artificial intelligence (AI) models that are reshaping industries and redefining human-machine collaboration. However, the realization of ubiquitous intelligence faces considerable challenges due to substantial resource consumption in large models and high communication bandwidth demands. To address these challenges, AI Flow has been introduced as a multidisciplinary framework that integrates cutting-edge IT and CT advancements, with a particular emphasis on the following three key points. First, device-edge-cloud framework serves as the foundation, which integrates end devices, edge servers, and cloud clusters to optimize scalability and efficiency for low-latency model inference. Second, we introduce the concept of familial models, which refers to a series of different-sized models with aligned hidden features, enabling effective collaboration and the flexibility to adapt to varying resource constraints and dynamic scenarios. Third, connectivity- and interaction-based intelligence emergence is a novel paradigm of AI Flow. By leveraging communication networks to enhance connectivity, the collaboration among AI models across heterogeneous nodes achieves emergent intelligence that surpasses the capability of any single model. The innovations of AI Flow provide enhanced intelligence, timely responsiveness, and ubiquitous accessibility to AI services, paving the way for the tighter fusion of AI techniques and communication systems.

  • 12 authors
·
Jun 14, 2025

Agentic Web: Weaving the Next Web with AI Agents

The emergence of AI agents powered by large language models (LLMs) marks a pivotal shift toward the Agentic Web, a new phase of the internet defined by autonomous, goal-driven interactions. In this paradigm, agents interact directly with one another to plan, coordinate, and execute complex tasks on behalf of users. This transition from human-driven to machine-to-machine interaction allows intent to be delegated, relieving users from routine digital operations and enabling a more interactive, automated web experience. In this paper, we present a structured framework for understanding and building the Agentic Web. We trace its evolution from the PC and Mobile Web eras and identify the core technological foundations that support this shift. Central to our framework is a conceptual model consisting of three key dimensions: intelligence, interaction, and economics. These dimensions collectively enable the capabilities of AI agents, such as retrieval, recommendation, planning, and collaboration. We analyze the architectural and infrastructural challenges involved in creating scalable agentic systems, including communication protocols, orchestration strategies, and emerging paradigms such as the Agent Attention Economy. We conclude by discussing the potential applications, societal risks, and governance issues posed by agentic systems, and outline research directions for developing open, secure, and intelligent ecosystems shaped by both human intent and autonomous agent behavior. A continuously updated collection of relevant studies for agentic web is available at: https://github.com/SafeRL-Lab/agentic-web.

  • 18 authors
·
Jul 28, 2025

Anagent For Enhancing Scientific Table & Figure Analysis

In scientific research, analysis requires accurately interpreting complex multimodal knowledge, integrating evidence from different sources, and drawing inferences grounded in domain-specific knowledge. However, current artificial intelligence (AI) systems struggle to consistently demonstrate such capabilities. The complexity and variability of scientific tables and figures, combined with heterogeneous structures and long-context requirements, pose fundamental obstacles to scientific table \& figure analysis. To quantify these challenges, we introduce AnaBench, a large-scale benchmark featuring 63,178 instances from nine scientific domains, systematically categorized along seven complexity dimensions. To tackle these challenges, we propose Anagent, a multi-agent framework for enhanced scientific table \& figure analysis through four specialized agents: Planner decomposes tasks into actionable subtasks, Expert retrieves task-specific information through targeted tool execution, Solver synthesizes information to generate coherent analysis, and Critic performs iterative refinement through five-dimensional quality assessment. We further develop modular training strategies that leverage supervised finetuning and specialized reinforcement learning to optimize individual capabilities while maintaining effective collaboration. Comprehensive evaluation across 9 broad domains with 170 subdomains demonstrates that Anagent achieves substantial improvements, up to uparrow 13.43% in training-free settings and uparrow 42.12% with finetuning, while revealing that task-oriented reasoning and context-aware problem-solving are essential for high-quality scientific table \& figure analysis. Our project page: https://xhguo7.github.io/Anagent/.

AI4Research AI4Research
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Feb 10

Disentangling Reasoning Capabilities from Language Models with Compositional Reasoning Transformers

This paper presents ReasonFormer, a unified reasoning framework for mirroring the modular and compositional reasoning process of humans in complex decision-making. Inspired by dual-process theory in cognitive science, the representation module (automatic thinking) and reasoning modules (controlled thinking) are decoupled to capture different levels of cognition. Upon the top of the representation module, the pre-trained reasoning modules are modular and professional in specific and fundamental reasoning skills (e.g., logic, simple QA, etc). To mimic the controlled compositional thinking process, different reasoning modules are dynamically activated and composed in both parallel and cascaded manners to control what reasoning skills are activated and how deep the reasoning process will be reached to solve the current problems. The unified reasoning framework solves multiple tasks with a single model, and is trained and inferred in an end-to-end manner. Evaluated on 11 datasets requiring different reasoning skills and complexity, ReasonFormer demonstrates substantial performance boosts, revealing the compositional reasoning ability. Few-shot experiments exhibit better generalization ability by learning to compose pre-trained skills for new tasks with limited data, and decoupling the representation module and the reasoning modules. Further analysis shows the modularity of reasoning modules as different tasks activate distinct reasoning skills at different reasoning depths.

  • 7 authors
·
Oct 20, 2022

daVinci-LLM:Towards the Science of Pretraining

The foundational pretraining phase determines a model's capability ceiling, as post-training struggles to overcome capability foundations established during pretraining, yet it remains critically under-explored. This stems from a structural paradox: organizations with computational resources operate under commercial pressures that inhibit transparent disclosure, while academic institutions possess research freedom but lack pretraining-scale computational resources. daVinci-LLM occupies this unexplored intersection, combining industrial-scale resources with full research freedom to advance the science of pretraining. We adopt a fully-open paradigm that treats openness as scientific methodology, releasing complete data processing pipelines, full training processes, and systematic exploration results. Recognizing that the field lacks systematic methodology for data processing, we employ the Data Darwinism framework, a principled L0-L9 taxonomy from filtering to synthesis. We train a 3B-parameter model from random initialization across 8T tokens using a two-stage adaptive curriculum that progressively shifts from foundational capabilities to reasoning-intensive enhancement. Through 200+ controlled ablations, we establish that: processing depth systematically enhances capabilities, establishing it as a critical dimension alongside volume scaling; different domains exhibit distinct saturation dynamics, necessitating adaptive strategies from proportion adjustments to format shifts; compositional balance enables targeted intensification while preventing performance collapse; how evaluation protocol choices shape our understanding of pretraining progress. By releasing the complete exploration process, we enable the community to build upon our findings and systematic methodologies to form accumulative scientific knowledge in pretraining.

SII-GAIR-NLP SII-GAIR
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Mar 28 2

How Far Are We From AGI

The evolution of artificial intelligence (AI) has profoundly impacted human society, driving significant advancements in multiple sectors. Yet, the escalating demands on AI have highlighted the limitations of AI's current offerings, catalyzing a movement towards Artificial General Intelligence (AGI). AGI, distinguished by its ability to execute diverse real-world tasks with efficiency and effectiveness comparable to human intelligence, reflects a paramount milestone in AI evolution. While existing works have summarized specific recent advancements of AI, they lack a comprehensive discussion of AGI's definitions, goals, and developmental trajectories. Different from existing survey papers, this paper delves into the pivotal questions of our proximity to AGI and the strategies necessary for its realization through extensive surveys, discussions, and original perspectives. We start by articulating the requisite capability frameworks for AGI, integrating the internal, interface, and system dimensions. As the realization of AGI requires more advanced capabilities and adherence to stringent constraints, we further discuss necessary AGI alignment technologies to harmonize these factors. Notably, we emphasize the importance of approaching AGI responsibly by first defining the key levels of AGI progression, followed by the evaluation framework that situates the status-quo, and finally giving our roadmap of how to reach the pinnacle of AGI. Moreover, to give tangible insights into the ubiquitous impact of the integration of AI, we outline existing challenges and potential pathways toward AGI in multiple domains. In sum, serving as a pioneering exploration into the current state and future trajectory of AGI, this paper aims to foster a collective comprehension and catalyze broader public discussions among researchers and practitioners on AGI.

  • 8 authors
·
May 16, 2024

O1 Replication Journey: A Strategic Progress Report -- Part 1

This paper introduces a pioneering approach to artificial intelligence research, embodied in our O1 Replication Journey. In response to the announcement of OpenAI's groundbreaking O1 model, we embark on a transparent, real-time exploration to replicate its capabilities while reimagining the process of conducting and communicating AI research. Our methodology addresses critical challenges in modern AI research, including the insularity of prolonged team-based projects, delayed information sharing, and the lack of recognition for diverse contributions. By providing comprehensive, real-time documentation of our replication efforts, including both successes and failures, we aim to foster open science, accelerate collective advancement, and lay the groundwork for AI-driven scientific discovery. Our research progress report diverges significantly from traditional research papers, offering continuous updates, full process transparency, and active community engagement throughout the research journey. Technologically, we proposed the journey learning paradigm, which encourages models to learn not just shortcuts, but the complete exploration process, including trial and error, reflection, and backtracking. With only 327 training samples and without any additional tricks, journey learning outperformed conventional supervised learning by over 8\% on the MATH dataset, demonstrating its extremely powerful potential. We believe this to be the most crucial component of O1 technology that we have successfully decoded. We share valuable resources including technical hypotheses and insights, cognitive exploration maps, custom-developed tools, etc at https://github.com/GAIR-NLP/O1-Journey.

  • 11 authors
·
Oct 8, 2024

A Reliable Knowledge Processing Framework for Combustion Science using Foundation Models

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.

  • 2 authors
·
Dec 31, 2023

Model Breadcrumbs: Scaling Multi-Task Model Merging with Sparse Masks

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.

  • 2 authors
·
Dec 11, 2023

A Survey on LLM-powered Agents for Recommender Systems

Recommender systems are essential components of many online platforms, yet traditional approaches still struggle with understanding complex user preferences and providing explainable recommendations. The emergence of Large Language Model (LLM)-powered agents offers a promising approach by enabling natural language interactions and interpretable reasoning, potentially transforming research in recommender systems. This survey provides a systematic review of the emerging applications of LLM-powered agents in recommender systems. We identify and analyze three key paradigms in current research: (1) Recommender-oriented approaches, which leverage intelligent agents to enhance the fundamental recommendation mechanisms; (2) Interaction-oriented approaches, which facilitate dynamic user engagement through natural dialogue and interpretable suggestions; and (3) Simulation-oriented approaches, which employ multi-agent frameworks to model complex user-item interactions and system dynamics. Beyond paradigm categorization, we analyze the architectural foundations of LLM-powered recommendation agents, examining their essential components: profile construction, memory management, strategic planning, and action execution. Our investigation extends to a comprehensive analysis of benchmark datasets and evaluation frameworks in this domain. This systematic examination not only illuminates the current state of LLM-powered agent recommender systems but also charts critical challenges and promising research directions in this transformative field.

  • 5 authors
·
Feb 14, 2025

LIMI: Less is More for Agency

We define Agency as the emergent capacity of AI systems to function as autonomous agents actively discovering problems, formulating hypotheses, and executing solutions through self-directed engagement with environments and tools. This fundamental capability marks the dawn of the Age of AI Agency, driven by a critical industry shift: the urgent need for AI systems that don't just think, but work. While current AI excels at reasoning and generating responses, industries demand autonomous agents that can execute tasks, operate tools, and drive real-world outcomes. As agentic intelligence becomes the defining characteristic separating cognitive systems from productive workers, efficiently cultivating machine autonomy becomes paramount. Current approaches assume that more data yields better agency, following traditional scaling laws from language modeling. We fundamentally challenge this paradigm. LIMI (Less Is More for Intelligent Agency) demonstrates that agency follows radically different development principles. Through strategic focus on collaborative software development and scientific research workflows, we show that sophisticated agentic intelligence can emerge from minimal but strategically curated demonstrations of autonomous behavior. Using only 78 carefully designed training samples, LIMI achieves 73.5% on comprehensive agency benchmarks, dramatically outperforming state-of-the-art models: Kimi-K2-Instruct (24.1%), DeepSeek-V3.1 (11.9%), Qwen3-235B-A22B-Instruct (27.5%), and GLM-4.5 (45.1%). Most strikingly, LIMI demonstrates 53.7% improvement over models trained on 10,000 samples-achieving superior agentic intelligence with 128 times fewer samples. Our findings establish the Agency Efficiency Principle: machine autonomy emerges not from data abundance but from strategic curation of high-quality agentic demonstrations.

  • 21 authors
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Sep 22, 2025 5

Scaling Generalist Data-Analytic Agents

Data-analytic agents are emerging as a key catalyst for automated scientific discovery and for the vision of Innovating AI. Current approaches, however, rely heavily on prompt engineering over proprietary models, while open-source models struggle to face diverse-format, large-scale data files and long-horizon, multi-step reasoning that real-world analytics demands. This paper introduces DataMind, a scalable data synthesis and agent training recipe designed to build generalist data-analytic agents. DataMind tackles three key challenges in building open-source data-analytic agents, including insufficient data resources, improper training strategy, and unstable code-based multi-turn rollout. Concretely, DataMind applies 1) a fine-grained task taxonomy and a recursive easy-to-hard task composition mechanism to increase the diversity and difficulty of synthesized queries; 2) a knowledge-augmented trajectory sampling strategy followed by model-based and rule-based filtering; 3) a dynamically adjustable training objective combining both SFT and RL losses; 4) a memory-frugal and stable code-based multi-turn rollout framework. Built on DataMind, we curate DataMind-12K, a high-quality trajectory set spanning diverse domains, task categories, and data file formats for data-analytic tasks. Trained on DataMind-12K, our DataMind-14B achieves state-of-the-art with an average score of 71.16% on multiple data analysis benchmarks, outperforming the strongest proprietary baselines DeepSeek-V3.1 and GPT-5. Our DataMind-7B also performs best among all open-source models with a score of 68.10%. We also incorporate some empirical insights gained from our exploratory trials into the analysis experiments, aiming to provide actionable insights about agentic training for the community. We will release DataMind-12K and DataMind-7B,14B for the community's future research.

Qwen Qwen
·
Sep 29, 2025 2

Deep Learning, Machine Learning, Advancing Big Data Analytics and Management

Advancements in artificial intelligence, machine learning, and deep learning have catalyzed the transformation of big data analytics and management into pivotal domains for research and application. This work explores the theoretical foundations, methodological advancements, and practical implementations of these technologies, emphasizing their role in uncovering actionable insights from massive, high-dimensional datasets. The study presents a systematic overview of data preprocessing techniques, including data cleaning, normalization, integration, and dimensionality reduction, to prepare raw data for analysis. Core analytics methodologies such as classification, clustering, regression, and anomaly detection are examined, with a focus on algorithmic innovation and scalability. Furthermore, the text delves into state-of-the-art frameworks for data mining and predictive modeling, highlighting the role of neural networks, support vector machines, and ensemble methods in tackling complex analytical challenges. Special emphasis is placed on the convergence of big data with distributed computing paradigms, including cloud and edge computing, to address challenges in storage, computation, and real-time analytics. The integration of ethical considerations, including data privacy and compliance with global standards, ensures a holistic perspective on data management. Practical applications across healthcare, finance, marketing, and policy-making illustrate the real-world impact of these technologies. Through comprehensive case studies and Python-based implementations, this work equips researchers, practitioners, and data enthusiasts with the tools to navigate the complexities of modern data analytics. It bridges the gap between theory and practice, fostering the development of innovative solutions for managing and leveraging data in the era of artificial intelligence.

  • 26 authors
·
Dec 3, 2024

Energy-Based Concept Bottleneck Models: Unifying Prediction, Concept Intervention, and Probabilistic Interpretations

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

  • 5 authors
·
Jan 25, 2024

LLM-Agent-UMF: LLM-based Agent Unified Modeling Framework for Seamless Integration of Multi Active/Passive Core-Agents

The integration of tools in LLM-based agents overcame the difficulties of standalone LLMs and traditional agents' limited capabilities. However, the conjunction of these technologies and the proposed enhancements in several state-of-the-art works followed a non-unified software architecture resulting in a lack of modularity. Indeed, they focused mainly on functionalities and overlooked the definition of the component's boundaries within the agent. This caused terminological and architectural ambiguities between researchers which we addressed in this paper by proposing a unified framework that establishes a clear foundation for LLM-based agents' development from both functional and software architectural perspectives. Our framework, LLM-Agent-UMF (LLM-based Agent Unified Modeling Framework), clearly distinguishes between the different components of an agent, setting LLMs, and tools apart from a newly introduced element: the core-agent, playing the role of the central coordinator of the agent which comprises five modules: planning, memory, profile, action, and security, the latter often neglected in previous works. Differences in the internal structure of core-agents led us to classify them into a taxonomy of passive and active types. Based on this, we proposed different multi-core agent architectures combining unique characteristics of various individual agents. For evaluation purposes, we applied this framework to a selection of state-of-the-art agents, thereby demonstrating its alignment with their functionalities and clarifying the overlooked architectural aspects. Moreover, we thoroughly assessed four of our proposed architectures by integrating distinctive agents into hybrid active/passive core-agents' systems. This analysis provided clear insights into potential improvements and highlighted the challenges involved in the combination of specific agents.

Dracodes Dracodes
·
Sep 17, 2024 3

OpenDataLab: Empowering General Artificial Intelligence with Open Datasets

The advancement of artificial intelligence (AI) hinges on the quality and accessibility of data, yet the current fragmentation and variability of data sources hinder efficient data utilization. The dispersion of data sources and diversity of data formats often lead to inefficiencies in data retrieval and processing, significantly impeding the progress of AI research and applications. To address these challenges, this paper introduces OpenDataLab, a platform designed to bridge the gap between diverse data sources and the need for unified data processing. OpenDataLab integrates a wide range of open-source AI datasets and enhances data acquisition efficiency through intelligent querying and high-speed downloading services. The platform employs a next-generation AI Data Set Description Language (DSDL), which standardizes the representation of multimodal and multi-format data, improving interoperability and reusability. Additionally, OpenDataLab optimizes data processing through tools that complement DSDL. By integrating data with unified data descriptions and smart data toolchains, OpenDataLab can improve data preparation efficiency by 30\%. We anticipate that OpenDataLab will significantly boost artificial general intelligence (AGI) research and facilitate advancements in related AI fields. For more detailed information, please visit the platform's official website: https://opendatalab.com.

  • 6 authors
·
Jun 4, 2024

Deep Research: A Systematic Survey

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard retrieval-augmented generation. Recently, numerous studies have explored Deep Research (DR), which aims to combine the reasoning capabilities of LLMs with external tools, such as search engines, thereby empowering LLMs to act as research agents capable of completing complex, open-ended tasks. This survey presents a comprehensive and systematic overview of deep research systems, including a clear roadmap, foundational components, practical implementation techniques, important challenges, and future directions. Specifically, our main contributions are as follows: (i) we formalize a three-stage roadmap and distinguish deep research from related paradigms; (ii) we introduce four key components: query planning, information acquisition, memory management, and answer generation, each paired with fine-grained sub-taxonomies; (iii) we summarize optimization techniques, including prompting, supervised fine-tuning, and agentic reinforcement learning; and (iv) we consolidate evaluation criteria and open challenges, aiming to guide and facilitate future development. As the field of deep research continues to evolve rapidly, we are committed to continuously updating this survey to reflect the latest progress in this area.

  • 26 authors
·
Nov 24, 2025 3

AI for Mathematics: Progress, Challenges, and Prospects

AI for Mathematics (AI4Math) has emerged as a distinct field that leverages machine learning to navigate mathematical landscapes historically intractable for early symbolic systems. While mid-20th-century symbolic approaches successfully automated formal logic, they faced severe scalability limitations due to the combinatorial explosion of the search space. The recent integration of data-driven approaches has revitalized this pursuit. In this review, we provide a systematic overview of AI4Math, highlighting its primary focus on developing AI models to support mathematical research. Crucially, we emphasize that this is not merely the application of AI to mathematical activities; it also encompasses the development of stronger AI systems where the rigorous nature of mathematics serves as a premier testbed for advancing general reasoning capabilities. We categorize existing research into two complementary directions: problem-specific modeling, involving the design of specialized architectures for distinct mathematical tasks, and general-purpose modeling, focusing on foundation models capable of broader reasoning, retrieval, and exploratory workflows. We conclude by discussing key challenges and prospects, advocating for AI systems that go beyond facilitating formal correctness to enabling the discovery of meaningful results and unified theories, recognizing that the true value of a proof lies in the insights and tools it offers to the broader mathematical landscape.

  • 2 authors
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Jan 19

Tool Learning with Foundation Models

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. In general, we hope this paper could inspire future research in integrating tools with foundation models.

  • 41 authors
·
Apr 17, 2023

AI Agent Systems: Architectures, Applications, and Evaluation

AI agents -- systems that combine foundation models with reasoning, planning, memory, and tool use -- are rapidly becoming a practical interface between natural-language intent and real-world computation. This survey synthesizes the emerging landscape of AI agent architectures across: (i) deliberation and reasoning (e.g., chain-of-thought-style decomposition, self-reflection and verification, and constraint-aware decision making), (ii) planning and control (from reactive policies to hierarchical and multi-step planners), and (iii) tool calling and environment interaction (retrieval, code execution, APIs, and multimodal perception). We organize prior work into a unified taxonomy spanning agent components (policy/LLM core, memory, world models, planners, tool routers, and critics), orchestration patterns (single-agent vs.\ multi-agent; centralized vs.\ decentralized coordination), and deployment settings (offline analysis vs.\ online interactive assistance; safety-critical vs.\ open-ended tasks). We discuss key design trade-offs -- latency vs.\ accuracy, autonomy vs.\ controllability, and capability vs.\ reliability -- and highlight how evaluation is complicated by non-determinism, long-horizon credit assignment, tool and environment variability, and hidden costs such as retries and context growth. Finally, we summarize measurement and benchmarking practices (task suites, human preference and utility metrics, success under constraints, robustness and security) and identify open challenges including verification and guardrails for tool actions, scalable memory and context management, interpretability of agent decisions, and reproducible evaluation under realistic workloads.

  • 1 authors
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Jan 4

Navigating Ideation Space: Decomposed Conceptual Representations for Positioning Scientific Ideas

Scientific discovery is a cumulative process and requires new ideas to be situated within an ever-expanding landscape of existing knowledge. An emerging and critical challenge is how to identify conceptually relevant prior work from rapidly growing literature, and assess how a new idea differentiates from existing research. Current embedding approaches typically conflate distinct conceptual aspects into single representations and cannot support fine-grained literature retrieval; meanwhile, LLM-based evaluators are subject to sycophancy biases, failing to provide discriminative novelty assessment. To tackle these challenges, we introduce the Ideation Space, a structured representation that decomposes scientific knowledge into three distinct dimensions, i.e., research problem, methodology, and core findings, each learned through contrastive training. This framework enables principled measurement of conceptual distance between ideas, and modeling of ideation transitions that capture the logical connections within a proposed idea. Building upon this representation, we propose a Hierarchical Sub-Space Retrieval framework for efficient, targeted literature retrieval, and a Decomposed Novelty Assessment algorithm that identifies which aspects of an idea are novel. Extensive experiments demonstrate substantial improvements, where our approach achieves Recall@30 of 0.329 (16.7% over baselines), our ideation transition retrieval reaches Hit Rate@30 of 0.643, and novelty assessment attains 0.37 correlation with expert judgments. In summary, our work provides a promising paradigm for future research on accelerating and evaluating scientific discovery.

  • 4 authors
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Jan 13

Unimedvl: Unifying Medical Multimodal Understanding And Generation Through Observation-Knowledge-Analysis

Medical diagnostic applications require models that can process multimodal medical inputs (images, patient histories, lab results) and generate diverse outputs including both textual reports and visual content (annotations, segmentation masks, and images). Despite this need, existing medical AI systems disrupt this unified process: medical image understanding models interpret images but cannot generate visual outputs, while medical image generation models synthesize images but cannot provide textual explanations. This leads to gaps in data representation, feature integration, and task-level multimodal capabilities. To this end, we propose a multi-level framework that draws inspiration from diagnostic workflows through the Observation-Knowledge-Analysis (OKA) paradigm. Specifically, at the observation level, we construct UniMed-5M, a dataset comprising over 5.6M samples that reformat diverse unimodal data into multimodal pairs for foundational observation. At the knowledge level, we propose Progressive Curriculum Learning that systematically introduces medical multimodal knowledge. At the analysis level, we introduce UniMedVL, the first medical unified multimodal model for the simultaneous analysis of image understanding and generation tasks within a single architecture. UniMedVL achieves superior performance on five medical image understanding benchmarks, while matching specialized models in generation quality across eight medical imaging modalities. Crucially, our unified architecture enables bidirectional knowledge sharing: generation tasks enhance visual understanding features, demonstrating that integrating traditionally separate capabilities within a single medical framework unlocks improvements across diverse medical vision-language tasks. Code is available at https://github.com/uni-medical/UniMedVL.

General-Medical-AI General Medical AI
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Oct 17, 2025 3

Lessons Learned from Mining the Hugging Face Repository

The rapidly evolving fields of Machine Learning (ML) and Artificial Intelligence have witnessed the emergence of platforms like Hugging Face (HF) as central hubs for model development and sharing. This experience report synthesizes insights from two comprehensive studies conducted on HF, focusing on carbon emissions and the evolutionary and maintenance aspects of ML models. Our objective is to provide a practical guide for future researchers embarking on mining software repository studies within the HF ecosystem to enhance the quality of these studies. We delve into the intricacies of the replication package used in our studies, highlighting the pivotal tools and methodologies that facilitated our analysis. Furthermore, we propose a nuanced stratified sampling strategy tailored for the diverse HF Hub dataset, ensuring a representative and comprehensive analytical approach. The report also introduces preliminary guidelines, transitioning from repository mining to cohort studies, to establish causality in repository mining studies, particularly within the ML model of HF context. This transition is inspired by existing frameworks and is adapted to suit the unique characteristics of the HF model ecosystem. Our report serves as a guiding framework for researchers, contributing to the responsible and sustainable advancement of ML, and fostering a deeper understanding of the broader implications of ML models.

  • 3 authors
·
Feb 11, 2024

Uni-Perceiver: Pre-training Unified Architecture for Generic Perception for Zero-shot and Few-shot Tasks

Biological intelligence systems of animals perceive the world by integrating information in different modalities and processing simultaneously for various tasks. In contrast, current machine learning research follows a task-specific paradigm, leading to inefficient collaboration between tasks and high marginal costs of developing perception models for new tasks. In this paper, we present a generic perception architecture named Uni-Perceiver, which processes a variety of modalities and tasks with unified modeling and shared parameters. Specifically, Uni-Perceiver encodes different task inputs and targets from arbitrary modalities into a unified representation space with a modality-agnostic Transformer encoder and lightweight modality-specific tokenizers. Different perception tasks are modeled as the same formulation, that is, finding the maximum likelihood target for each input through the similarity of their representations. The model is pre-trained on several uni-modal and multi-modal tasks, and evaluated on a variety of downstream tasks, including novel tasks that did not appear in the pre-training stage. Results show that our pre-trained model without any tuning can achieve reasonable performance even on novel tasks. The performance can be improved to a level close to state-of-the-art methods by conducting prompt tuning on 1% of downstream task data. Full-data fine-tuning further delivers results on par with or better than state-of-the-art results. Code shall be released.

  • 8 authors
·
Dec 2, 2021

AIssistant: An Agentic Approach for Human--AI Collaborative Scientific Work on Reviews and Perspectives in Machine Learning

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

  • 4 authors
·
Sep 14, 2025

Can LLMs Clean Up Your Mess? A Survey of Application-Ready Data Preparation with LLMs

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.

Modular RAG: Transforming RAG Systems into LEGO-like Reconfigurable Frameworks

Retrieval-augmented Generation (RAG) has markedly enhanced the capabilities of Large Language Models (LLMs) in tackling knowledge-intensive tasks. The increasing demands of application scenarios have driven the evolution of RAG, leading to the integration of advanced retrievers, LLMs and other complementary technologies, which in turn has amplified the intricacy of RAG systems. However, the rapid advancements are outpacing the foundational RAG paradigm, with many methods struggling to be unified under the process of "retrieve-then-generate". In this context, this paper examines the limitations of the existing RAG paradigm and introduces the modular RAG framework. By decomposing complex RAG systems into independent modules and specialized operators, it facilitates a highly reconfigurable framework. Modular RAG transcends the traditional linear architecture, embracing a more advanced design that integrates routing, scheduling, and fusion mechanisms. Drawing on extensive research, this paper further identifies prevalent RAG patterns-linear, conditional, branching, and looping-and offers a comprehensive analysis of their respective implementation nuances. Modular RAG presents innovative opportunities for the conceptualization and deployment of RAG systems. Finally, the paper explores the potential emergence of new operators and paradigms, establishing a solid theoretical foundation and a practical roadmap for the continued evolution and practical deployment of RAG technologies.

  • 4 authors
·
Jul 25, 2024

A Survey on Agentic Multimodal Large Language Models

With the recent emergence of revolutionary autonomous agentic systems, research community is witnessing a significant shift from traditional static, passive, and domain-specific AI agents toward more dynamic, proactive, and generalizable agentic AI. Motivated by the growing interest in agentic AI and its potential trajectory toward AGI, we present a comprehensive survey on Agentic Multimodal Large Language Models (Agentic MLLMs). In this survey, we explore the emerging paradigm of agentic MLLMs, delineating their conceptual foundations and distinguishing characteristics from conventional MLLM-based agents. We establish a conceptual framework that organizes agentic MLLMs along three fundamental dimensions: (i) Agentic internal intelligence functions as the system's commander, enabling accurate long-horizon planning through reasoning, reflection, and memory; (ii) Agentic external tool invocation, whereby models proactively use various external tools to extend their problem-solving capabilities beyond their intrinsic knowledge; and (iii) Agentic environment interaction further situates models within virtual or physical environments, allowing them to take actions, adapt strategies, and sustain goal-directed behavior in dynamic real-world scenarios. To further accelerate research in this area for the community, we compile open-source training frameworks, training and evaluation datasets for developing agentic MLLMs. Finally, we review the downstream applications of agentic MLLMs and outline future research directions for this rapidly evolving field. To continuously track developments in this rapidly evolving field, we will also actively update a public repository at https://github.com/HJYao00/Awesome-Agentic-MLLMs.

  • 11 authors
·
Oct 13, 2025