From Web Search towards Agentic Deep Research: Incentivizing Search with Reasoning Agents

Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex, multi-step information needs. Our position is that Large Language Models (LLMs), endowed with reasoning and agentic capabilities, are ushering in a new paradigm termed Agentic Deep Research. These systems transcend conventional information search techniques by tightly integrating autonomous reasoning, iterative retrieval, and information synthesis into a dynamic feedback loop. We trace the evolution from static web search to interactive, agent-based systems that plan, explore, and learn. We also introduce a test-time scaling law to formalize the impact of computational depth on reasoning and search. Supported by benchmark results and the rise of open-source implementations, we demonstrate that Agentic Deep Research not only significantly outperforms existing approaches, but is also poised to become the dominant paradigm for future information seeking. All the related resources, including industry products, research papers, benchmark datasets, and open-source implementations, are collected for the community in https://github.com/DavidZWZ/Awesome-Deep-Research.

Revisiting Epistemic Markers in Confidence Estimation: Can Markers Accurately Reflect Large Language Models' Uncertainty?

As large language models (LLMs) are increasingly used in high-stakes domains, accurately assessing their confidence is crucial. Humans typically express confidence through epistemic markers (e.g., "fairly confident") instead of numerical values. However, it remains unclear whether LLMs consistently use these markers to reflect their intrinsic confidence due to the difficulty of quantifying uncertainty associated with various markers. To address this gap, we first define marker confidence as the observed accuracy when a model employs an epistemic marker. We evaluate its stability across multiple question-answering datasets in both in-distribution and out-of-distribution settings for open-source and proprietary LLMs. Our results show that while markers generalize well within the same distribution, their confidence is inconsistent in out-of-distribution scenarios. These findings raise significant concerns about the reliability of epistemic markers for confidence estimation, underscoring the need for improved alignment between marker based confidence and actual model uncertainty. Our code is available at https://github.com/HKUST-KnowComp/MarCon.

AutoSchemaKG: Autonomous Knowledge Graph Construction through Dynamic Schema Induction from Web-Scale Corpora

We present AutoSchemaKG, a framework for fully autonomous knowledge graph construction that eliminates the need for predefined schemas. Our system leverages large language models to simultaneously extract knowledge triples and induce comprehensive schemas directly from text, modeling both entities and events while employing conceptualization to organize instances into semantic categories. Processing over 50 million documents, we construct ATLAS (Automated Triple Linking And Schema induction), a family of knowledge graphs with 900+ million nodes and 5.9 billion edges. This approach outperforms state-of-the-art baselines on multi-hop QA tasks and enhances LLM factuality. Notably, our schema induction achieves 95\% semantic alignment with human-crafted schemas with zero manual intervention, demonstrating that billion-scale knowledge graphs with dynamically induced schemas can effectively complement parametric knowledge in large language models.

Controllable Logical Hypothesis Generation for Abductive Reasoning in Knowledge Graphs

Abductive reasoning in knowledge graphs aims to generate plausible logical hypotheses from observed entities, with broad applications in areas such as clinical diagnosis and scientific discovery. However, due to a lack of controllability, a single observation may yield numerous plausible but redundant or irrelevant hypotheses on large-scale knowledge graphs. To address this limitation, we introduce the task of controllable hypothesis generation to improve the practical utility of abductive reasoning. This task faces two key challenges when controlling for generating long and complex logical hypotheses: hypothesis space collapse and hypothesis oversensitivity. To address these challenges, we propose CtrlHGen, a Controllable logcial Hypothesis Generation framework for abductive reasoning over knowledge graphs, trained in a two-stage paradigm including supervised learning and subsequent reinforcement learning. To mitigate hypothesis space collapse, we design a dataset augmentation strategy based on sub-logical decomposition, enabling the model to learn complex logical structures by leveraging semantic patterns in simpler components. To address hypothesis oversensitivity, we incorporate smoothed semantic rewards including Dice and Overlap scores, and introduce a condition-adherence reward to guide the generation toward user-specified control constraints. Extensive experiments on three benchmark datasets demonstrate that our model not only better adheres to control conditions but also achieves superior semantic similarity performance compared to baselines.

INFERENCEDYNAMICS: Efficient Routing Across LLMs through Structured Capability and Knowledge Profiling

Large Language Model (LLM) routing is a pivotal technique for navigating a diverse landscape of LLMs, aiming to select the best-performing LLMs tailored to the domains of user queries, while managing computational resources. However, current routing approaches often face limitations in scalability when dealing with a large pool of specialized LLMs, or in their adaptability to extending model scope and evolving capability domains. To overcome those challenges, we propose InferenceDynamics, a flexible and scalable multi-dimensional routing framework by modeling the capability and knowledge of models. We operate it on our comprehensive dataset RouteMix, and demonstrate its effectiveness and generalizability in group-level routing using modern benchmarks including MMLU-Pro, GPQA, BigGenBench, and LiveBench, showcasing its ability to identify and leverage top-performing models for given tasks, leading to superior outcomes with efficient resource utilization. The broader adoption of Inference Dynamics can empower users to harness the full specialized potential of the LLM ecosystem, and our code will be made publicly available to encourage further research.

MCIP: Protecting MCP Safety via Model Contextual Integrity Protocol

As Model Context Protocol (MCP) introduces an easy-to-use ecosystem for users and developers, it also brings underexplored safety risks. Its decentralized architecture, which separates clients and servers, poses unique challenges for systematic safety analysis. This paper proposes a novel framework to enhance MCP safety. Guided by the MAESTRO framework, we first analyze the missing safety mechanisms in MCP, and based on this analysis, we propose the Model Contextual Integrity Protocol (MCIP), a refined version of MCP that addresses these gaps. Next, we develop a fine-grained taxonomy that captures a diverse range of unsafe behaviors observed in MCP scenarios. Building on this taxonomy, we develop benchmark and training data that support the evaluation and improvement of LLMs' capabilities in identifying safety risks within MCP interactions. Leveraging the proposed benchmark and training data, we conduct extensive experiments on state-of-the-art LLMs. The results highlight LLMs' vulnerabilities in MCP interactions and demonstrate that our approach substantially improves their safety performance.

EcomScriptBench: A Multi-task Benchmark for E-commerce Script Planning via Step-wise Intention-Driven Product Association

Goal-oriented script planning, or the ability to devise coherent sequences of actions toward specific goals, is commonly employed by humans to plan for typical activities. In e-commerce, customers increasingly seek LLM-based assistants to generate scripts and recommend products at each step, thereby facilitating convenient and efficient shopping experiences. However, this capability remains underexplored due to several challenges, including the inability of LLMs to simultaneously conduct script planning and product retrieval, difficulties in matching products caused by semantic discrepancies between planned actions and search queries, and a lack of methods and benchmark data for evaluation. In this paper, we step forward by formally defining the task of E-commerce Script Planning (EcomScript) as three sequential subtasks. We propose a novel framework that enables the scalable generation of product-enriched scripts by associating products with each step based on the semantic similarity between the actions and their purchase intentions. By applying our framework to real-world e-commerce data, we construct the very first large-scale EcomScript dataset, EcomScriptBench, which includes 605,229 scripts sourced from 2.4 million products. Human annotations are then conducted to provide gold labels for a sampled subset, forming an evaluation benchmark. Extensive experiments reveal that current (L)LMs face significant challenges with EcomScript tasks, even after fine-tuning, while injecting product purchase intentions improves their performance.

Context Reasoner: Incentivizing Reasoning Capability for Contextualized Privacy and Safety Compliance via Reinforcement Learning

While Large Language Models (LLMs) exhibit remarkable capabilities, they also introduce significant safety and privacy risks. Current mitigation strategies often fail to preserve contextual reasoning capabilities in risky scenarios. Instead, they rely heavily on sensitive pattern matching to protect LLMs, which limits the scope. Furthermore, they overlook established safety and privacy standards, leading to systemic risks for legal compliance. To address these gaps, we formulate safety and privacy issues into contextualized compliance problems following the Contextual Integrity (CI) theory. Under the CI framework, we align our model with three critical regulatory standards: GDPR, EU AI Act, and HIPAA. Specifically, we employ reinforcement learning (RL) with a rule-based reward to incentivize contextual reasoning capabilities while enhancing compliance with safety and privacy norms. Through extensive experiments, we demonstrate that our method not only significantly enhances legal compliance (achieving a +17.64% accuracy improvement in safety/privacy benchmarks) but also further improves general reasoning capability. For OpenThinker-7B, a strong reasoning model that significantly outperforms its base model Qwen2.5-7B-Instruct across diverse subjects, our method enhances its general reasoning capabilities, with +2.05% and +8.98% accuracy improvement on the MMLU and LegalBench benchmark, respectively.

Legal Rule Induction: Towards Generalizable Principle Discovery from Analogous Judicial Precedents

Legal rules encompass not only codified statutes but also implicit adjudicatory principles derived from precedents that contain discretionary norms, social morality, and policy. While computational legal research has advanced in applying established rules to cases, inducing legal rules from judicial decisions remains understudied, constrained by limitations in model inference efficacy and symbolic reasoning capability. The advent of Large Language Models (LLMs) offers unprecedented opportunities for automating the extraction of such latent principles, yet progress is stymied by the absence of formal task definitions, benchmark datasets, and methodologies. To address this gap, we formalize Legal Rule Induction (LRI) as the task of deriving concise, generalizable doctrinal rules from sets of analogous precedents, distilling their shared preconditions, normative behaviors, and legal consequences. We introduce the first LRI benchmark, comprising 5,121 case sets (38,088 Chinese cases in total) for model tuning and 216 expert-annotated gold test sets. Experimental results reveal that: 1) State-of-the-art LLMs struggle with over-generalization and hallucination; 2) Training on our dataset markedly enhances LLMs capabilities in capturing nuanced rule patterns across similar cases.

From Automation to Autonomy: A Survey on Large Language Models in Scientific Discovery

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI collaboration. This survey systematically charts this burgeoning field, placing a central focus on the changing roles and escalating capabilities of LLMs in science. Through the lens of the scientific method, we introduce a foundational three-level taxonomy-Tool, Analyst, and Scientist-to delineate their escalating autonomy and evolving responsibilities within the research lifecycle. We further identify pivotal challenges and future research trajectories such as robotic automation, self-improvement, and ethical governance. Overall, this survey provides a conceptual architecture and strategic foresight to navigate and shape the future of AI-driven scientific discovery, fostering both rapid innovation and responsible advancement. Github Repository: https://github.com/HKUST-KnowComp/Awesome-LLM-Scientific-Discovery.