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.

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.

Towards Multi-Agent Reasoning Systems for Collaborative Expertise Delegation: An Exploratory Design Study

Designing effective collaboration structure for multi-agent LLM systems to enhance collective reasoning is crucial yet remains under-explored. In this paper, we systematically investigate how collaborative reasoning performance is affected by three key design dimensions: (1) Expertise-Domain Alignment, (2) Collaboration Paradigm (structured workflow vs. diversity-driven integration), and (3) System Scale. Our findings reveal that expertise alignment benefits are highly domain-contingent, proving most effective for contextual reasoning tasks. Furthermore, collaboration focused on integrating diverse knowledge consistently outperforms rigid task decomposition. Finally, we empirically explore the impact of scaling the multi-agent system with expertise specialization and study the computational trade off, highlighting the need for more efficient communication protocol design. This work provides concrete guidelines for configuring specialized multi-agent system and identifies critical architectural trade-offs and bottlenecks for scalable multi-agent reasoning. The code will be made available upon acceptance.

The Curse of CoT: On the Limitations of Chain-of-Thought in In-Context Learning

Chain-of-Thought (CoT) prompting has been widely recognized for its ability to enhance reasoning capabilities in large language models (LLMs) through the generation of explicit explanatory rationales. However, our study reveals a surprising contradiction to this prevailing perspective. Through extensive experiments involving 16 state-of-the-art LLMs and nine diverse pattern-based in-context learning (ICL) datasets, we demonstrate that CoT and its reasoning variants consistently underperform direct answering across varying model scales and benchmark complexities. To systematically investigate this unexpected phenomenon, we designed extensive experiments to validate several hypothetical explanations. Our analysis uncovers a fundamental explicit-implicit duality driving CoT's performance in pattern-based ICL: while explicit reasoning falters due to LLMs' struggles to infer underlying patterns from demonstrations, implicit reasoning-disrupted by the increased contextual distance of CoT rationales-often compensates, delivering correct answers despite flawed rationales. This duality explains CoT's relative underperformance, as noise from weak explicit inference undermines the process, even as implicit mechanisms partially salvage outcomes. Notably, even long-CoT reasoning models, which excel in abstract and symbolic reasoning, fail to fully overcome these limitations despite higher computational costs. Our findings challenge existing assumptions regarding the universal efficacy of CoT, yielding novel insights into its limitations and guiding future research toward more nuanced and effective reasoning methodologies for LLMs.

Patterns Over Principles: The Fragility of Inductive Reasoning in LLMs under Noisy Observations

Inductive reasoning, a cornerstone of human cognition, enables generalization from limited data but hasn't yet been fully achieved by large language models (LLMs). While modern LLMs excel at reasoning tasks, their ability to maintain stable and consistent rule abstraction under imperfect observations remains underexplored. To fill this gap, in this work, we introduce Robust Rule Induction, a task that evaluates LLMs' capability in inferring rules from data that are fused with noisy examples. To address this task, we further propose Sample-steered Rule Refinement (SRR), a method enhancing reasoning stability via observation diversification and execution-guided feedback. Experiments across arithmetic, cryptography, and list functions reveal: (1) SRR outperforms other methods with minimal performance degradation under noise; (2) Despite slight accuracy variation, LLMs exhibit instability under noise (e.g., 0% accuracy change with only 70% consistent score); (3) Counterfactual task gaps highlight LLMs' reliance on memorized patterns over genuine abstraction. Our findings challenge LLMs' reasoning robustness, revealing susceptibility to hypothesis drift and pattern overfitting, while providing empirical evidence critical for developing human-like inductive systems. Code and data are available at \href{https://github.com/lcy2723/Robust-Rule-Induction}{https://github.com/lcy2723/Robust-Rule-Induction}.

Top Ten Challenges Towards Agentic Neural Graph Databases

Graph databases (GDBs) like Neo4j and TigerGraph excel at handling interconnected data but lack advanced inference capabilities. Neural Graph Databases (NGDBs) address this by integrating Graph Neural Networks (GNNs) for predictive analysis and reasoning over incomplete or noisy data. However, NGDBs rely on predefined queries and lack autonomy and adaptability. This paper introduces Agentic Neural Graph Databases (Agentic NGDBs), which extend NGDBs with three core functionalities: autonomous query construction, neural query execution, and continuous learning. We identify ten key challenges in realizing Agentic NGDBs: semantic unit representation, abductive reasoning, scalable query execution, and integration with foundation models like large language models (LLMs). By addressing these challenges, Agentic NGDBs can enable intelligent, self-improving systems for modern data-driven applications, paving the way for adaptable and autonomous data management solutions.

Enhancing Transformers for Generalizable First-Order Logical Entailment

Transformers, as a fundamental deep learning architecture, have demonstrated remarkable capabilities in reasoning. This paper investigates the generalizable first-order logical reasoning ability of transformers with their parameterized knowledge and explores ways to improve it. The first-order reasoning capability of transformers is assessed through their ability to perform first-order logical entailment, which is quantitatively measured by their performance in answering knowledge graph queries. We establish connections between (1) two types of distribution shifts studied in out-of-distribution generalization and (2) the unseen knowledge and query settings discussed in the task of knowledge graph query answering, enabling a characterization of fine-grained generalizability. Results on our comprehensive dataset show that transformers outperform previous methods specifically designed for this task and provide detailed empirical evidence on the impact of input query syntax, token embedding, and transformer architectures on the reasoning capability of transformers. Interestingly, our findings reveal a mismatch between positional encoding and other design choices in transformer architectures employed in prior practices. This discovery motivates us to propose a more sophisticated, logic-aware architecture, TEGA, to enhance the capability for generalizable first-order logical entailment in transformers.