Tianshi Zheng

Jiaxin Bai, Tianshi Zheng, Yangqiu Song

Complex Query Answering (CQA) is an important and fundamental task for knowledge graph (KG) reasoning. Query encoding (QE) is proposed as a fast and robust solution to CQA. In the encoding process, most existing QE methods first parse the logical query into an executable computational direct-acyclic graph (DAG), then use neural networks to parameterize the operators, and finally, recursively execute these neuralized operators. However, the parameterization-and-execution paradigm may be potentially over-complicated, as it can be structurally simplified by a single neural network encoder. Meanwhile, sequence encoders, like LSTM and Transformer, proved to be effective for encoding semantic graphs in related tasks. Motivated by this, we propose sequential query encoding (SQE) as an alternative to encode queries for CQA. Instead of parameterizing and executing the computational graph, SQE first uses a search-based algorithm to linearize the computational graph to a sequence of tokens and then uses a sequence encoder to compute its vector representation. Then this vector representation is used as a query embedding to retrieve answers from the embedding space according to similarity scores. Despite its simplicity, SQE demonstrates state-of-the-art neural query encoding performance on FB15k, FB15k-237, and NELL on an extended benchmark including twenty-nine types of in-distribution queries. Further experiment shows that SQE also demonstrates comparable knowledge inference capability on out-of-distribution queries, whose query types are not observed during the training process.

Tianshi Zheng, Jiaxin Bai, Yicheng Wang et al. · tencent-ai

While large language models (LLMs) have demonstrated impressive capabilities across various natural language processing tasks by acquiring rich factual knowledge from their broad training data, their ability to synthesize and logically reason with this knowledge in complex ways remains underexplored. In this work, we present a systematic evaluation of state-of-the-art LLMs' complex logical reasoning abilities through a novel benchmark of automatically generated complex reasoning questions over general domain and biomedical knowledge graphs. Our extensive experiments, employing diverse in-context learning techniques, reveal that LLMs excel at reasoning over general world knowledge but face significant challenges with specialized domain-specific knowledge. We find that prompting with explicit Chain-of-Thought demonstrations can substantially improve LLM performance on complex logical reasoning tasks with diverse logical operations. Interestingly, our controlled evaluations uncover an asymmetry where LLMs display proficiency at set union operations, but struggle considerably with set intersections - a key building block of logical reasoning. To foster further work, we will publicly release our evaluation benchmark and code.

Qing Zong, Zhaowei Wang, Baixuan Xu et al.

A main goal of Argument Mining (AM) is to analyze an author's stance. Unlike previous AM datasets focusing only on text, the shared task at the 10th Workshop on Argument Mining introduces a dataset including both text and images. Importantly, these images contain both visual elements and optical characters. Our new framework, TILFA (A Unified Framework for Text, Image, and Layout Fusion in Argument Mining), is designed to handle this mixed data. It excels at not only understanding text but also detecting optical characters and recognizing layout details in images. Our model significantly outperforms existing baselines, earning our team, KnowComp, the 1st place in the leaderboard of Argumentative Stance Classification subtask in this shared task.

Zheye Deng, Chunkit Chan, Weiqi Wang et al.

The task of condensing large chunks of textual information into concise and structured tables has gained attention recently due to the emergence of Large Language Models (LLMs) and their potential benefit for downstream tasks, such as text summarization and text mining. Previous approaches often generate tables that directly replicate information from the text, limiting their applicability in broader contexts, as text-to-table generation in real-life scenarios necessitates information extraction, reasoning, and integration. However, there is a lack of both datasets and methodologies towards this task. In this paper, we introduce LiveSum, a new benchmark dataset created for generating summary tables of competitions based on real-time commentary texts. We evaluate the performances of state-of-the-art LLMs on this task in both fine-tuning and zero-shot settings, and additionally propose a novel pipeline called $T^3$(Text-Tuple-Table) to improve their performances. Extensive experimental results demonstrate that LLMs still struggle with this task even after fine-tuning, while our approach can offer substantial performance gains without explicit training. Further analyses demonstrate that our method exhibits strong generalization abilities, surpassing previous approaches on several other text-to-table datasets. Our code and data can be found at https://github.com/HKUST-KnowComp/LiveSum.

Tianshi Zheng, Zheye Deng, Hong Ting Tsang et al.

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.

Tianshi Zheng, Jiayang Cheng, Chunyang Li et al.

Modern large language models (LLMs) employ diverse logical inference mechanisms for reasoning, making the strategic optimization of these approaches critical for advancing their capabilities. This paper systematically investigate the comparative dynamics of inductive (System 1) versus abductive/deductive (System 2) inference in LLMs. We utilize a controlled analogical reasoning environment, varying modality (textual, visual, symbolic), difficulty, and task format (MCQ / free-text). Our analysis reveals System 2 pipelines generally excel, particularly in visual/symbolic modalities and harder tasks, while System 1 is competitive for textual and easier problems. Crucially, task format significantly influences their relative advantage, with System 1 sometimes outperforming System 2 in free-text rule-execution. These core findings generalize to broader in-context learning. Furthermore, we demonstrate that advanced System 2 strategies like hypothesis selection and iterative refinement can substantially scale LLM reasoning. This study offers foundational insights and actionable guidelines for strategically deploying logical inference to enhance LLM reasoning. Resources are available at https://github.com/HKUST-KnowComp/LogiDynamics.

Jiaxin Bai, Yicheng Wang, Tianshi Zheng et al.

Abductive reasoning is the process of making educated guesses to provide explanations for observations. Although many applications require the use of knowledge for explanations, the utilization of abductive reasoning in conjunction with structured knowledge, such as a knowledge graph, remains largely unexplored. To fill this gap, this paper introduces the task of complex logical hypothesis generation, as an initial step towards abductive logical reasoning with KG. In this task, we aim to generate a complex logical hypothesis so that it can explain a set of observations. We find that the supervised trained generative model can generate logical hypotheses that are structurally closer to the reference hypothesis. However, when generalized to unseen observations, this training objective does not guarantee better hypothesis generation. To address this, we introduce the Reinforcement Learning from Knowledge Graph (RLF-KG) method, which minimizes differences between observations and conclusions drawn from generated hypotheses according to the KG. Experiments show that, with RLF-KG's assistance, the generated hypotheses provide better explanations, and achieve state-of-the-art results on three widely used KGs.

Qing Zong, Zhaowei Wang, Tianshi Zheng et al.

The rapid development of LLMs has sparked extensive research into their factual knowledge. Current works find that LLMs fall short on questions around low-frequency entities. However, such proofs are unreliable since the questions can differ not only in entity frequency but also in difficulty themselves. So we introduce ComparisonQA benchmark, containing 283K abstract questions, each instantiated by a pair of high-frequency and low-frequency entities. It ensures a controllable comparison to study the role of knowledge frequency in the performance of LLMs. Because the difference between such a pair is only the entity with different frequencies. In addition, we use both correctness and uncertainty to develop a two-round method to evaluate LLMs' knowledge robustness. It aims to avoid possible semantic shortcuts which is a serious problem of current QA study. Experiments reveal that LLMs, including GPT-4o, exhibit particularly low robustness regarding low-frequency knowledge. Besides, we find that uncertainty can be used to effectively identify high-quality and shortcut-free questions while maintaining the data size. Based on this, we propose an automatic method to select such questions to form a subset called ComparisonQA-Hard, containing only hard low-frequency questions.

Jiaxin Bai, Wei Fan, Qi Hu et al.

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 92\% 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.

Jiaxin Bai, Zihao Wang, Yukun Zhou et al. · tsinghua

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.

Tianshi Zheng, Jiazheng Wang, Zihao Wang et al. · tsinghua

Transformers, as the fundamental deep learning architecture, have demonstrated great capability in reasoning. This paper studies the generalizable first-order logical reasoning ability of transformers with their parameterized knowledge and how to improve it. Transformers' capability of first-order reasoning is further captured by whether they can conduct first-order logical entailment, which is quantitatively measured by their performance in answering knowledge graph queries. We establish the connections between (1) two types of distribution shifts studied in out-of-distribution generalization and (2) unseen knowledge and query settings discussed in the task of knowledge graph query answering, which makes it possible to characterize the fine-grained generalizability. Results on our comprehensive dataset showed that transformers \textit{outperform} previous methods designed particularly for this task and provided detailed empirical evidence about the impact of the input query syntax, token embedding, and transformer architectures on their reasoning capability. Interestingly, our results revealed the mismatch of positional encoding and other design choices of transformer architectures in previous practices. Motivated by this, we propose TEGA, a logic-aware architecture that significantly improves the performance in generalizable first-order logical entailment.

Yisen Gao, Jiaxin Bai, Tianshi Zheng et al.

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.

Zheye Deng, Chunkit Chan, Tianshi Zheng et al.

The evolution of AI systems toward agentic operation and context-aware retrieval necessitates transforming unstructured text into structured formats like tables, knowledge graphs, and charts. While such conversions enable critical applications from summarization to data mining, current research lacks a comprehensive synthesis of methodologies, datasets, and metrics. This systematic review examines text-to-structure techniques and the encountered challenges, evaluates current datasets and assessment criteria, and outlines potential directions for future research. We also introduce a universal evaluation framework for structured outputs, establishing text-to-structure as foundational infrastructure for next-generation AI systems.

Tianshi Zheng, Weihan Li, Jiaxin Bai et al.

Retrieval-Augmented Generation (RAG) systems show remarkable potential as question answering tools in the K-12 Education domain, where knowledge is typically queried within the restricted scope of authoritative textbooks. However, discrepancies between these textbooks and the parametric knowledge inherent in Large Language Models (LLMs) can undermine the effectiveness of RAG systems. To systematically investigate RAG system robustness against such knowledge discrepancies, we introduce KnowShiftQA. This novel question answering dataset simulates these discrepancies by applying deliberate hypothetical knowledge updates to both answers and source documents, reflecting how textbook knowledge can shift. KnowShiftQA comprises 3,005 questions across five subjects, designed with a comprehensive question typology focusing on context utilization and knowledge integration. Our extensive experiments on retrieval and question answering performance reveal that most RAG systems suffer a substantial performance drop when faced with these knowledge discrepancies. Furthermore, questions requiring the integration of contextual (textbook) knowledge with parametric (LLM) knowledge pose a significant challenge to current LLMs.

Tianshi Zheng, Kelvin Kiu-Wai Tam, Newt Hue-Nam K. Nguyen et al. · tencent-ai

Large language models are emerging as powerful tools for scientific law discovery, a foundational challenge in AI-driven science. However, existing benchmarks for this task suffer from a fundamental methodological trilemma, forcing a trade-off between scientific relevance, scalability, and resistance to memorization. Furthermore, they oversimplify discovery as static function fitting, failing to capture the authentic scientific process of uncovering embedded laws through the interactive exploration of complex model systems. To address these critical gaps, we introduce NewtonBench, a benchmark comprising 324 scientific law discovery tasks across 12 physics domains. Our design mitigates the evaluation trilemma by using metaphysical shifts - systematic alterations of canonical laws - to generate a vast suite of problems that are scalable, scientifically relevant, and memorization-resistant. Moreover, we elevate the evaluation from static function fitting to interactive model discovery, requiring agents to experimentally probe simulated complex systems to uncover hidden principles. Our extensive experiment reveals a clear but fragile capability for discovery in frontier LLMs: this ability degrades precipitously with increasing system complexity and exhibits extreme sensitivity to observational noise. Notably, we uncover a paradoxical effect of tool assistance: providing a code interpreter can hinder more capable models by inducing a premature shift from exploration to exploitation, causing them to satisfice on suboptimal solutions. These results demonstrate that robust, generalizable discovery in complex, interactive environments remains the core challenge. By providing a scalable, robust, and scientifically authentic testbed, NewtonBench offers a crucial tool for measuring true progress and guiding the development of next-generation AI agents capable of genuine scientific discovery.

Baixuan Xu, Tianshi Zheng, Zhaowei Wang et al. · tencent-ai

Enabling LLMs to effectively operate long-horizon task which requires long-term planning and multiple interactions is essential for open-world autonomy. Conventional methods adopt planning with actions where a executable action list would be provided as reference. However, this action representation choice would be impractical when the environment action space is combinatorial exploded (e.g., open-ended real world). This naturally leads to a question: As environmental action space scales, what is the optimal action representation for long-horizon agents? In this paper, we systematically study the effectiveness of two different action representations. The first one is conventional planning with actions (PwA) which is predominantly adopted for its effectiveness on existing benchmarks. The other one is planning with schemas (PwS) which instantiate an action schema into action lists (e.g., "move [OBJ] to [OBJ]" -> "move apple to desk") to ensure concise action space and reliable scalability. This alternative is motivated by its alignment with human cognition and its compliance with environment-imposed action format restriction. We propose cognitive bandwidth perspective as a conceptual framework to qualitatively understand the differences between these two action representations and empirically observe a representation-choice inflection point between ALFWorld (~35 actions) and SciWorld (~500 actions), which serve as evidence of the need for scalable representations. We further conduct controlled experiments to study how the location of this inflection point interacts with different model capacities: stronger planning proficiency shifts the inflection rightward, whereas better schema instantiation shifts it leftward. Finally, noting the suboptimal performance of PwS agents, we provide an actionable guide for building more capable PwS agents for better scalable autonomy.

Hong Ting Tsang, Jiaxin Bai, Haoyu Huang et al.

Building effective knowledge graphs (KGs) for Retrieval-Augmented Generation (RAG) is pivotal for advancing question answering (QA) systems. However, its effectiveness is hindered by a fundamental disconnect: the knowledge graph (KG) construction process is decoupled from its downstream application, yielding suboptimal graph structures. To bridge this gap, we introduce AutoGraph-R1, the first framework to directly optimize KG construction for task performance using Reinforcement Learning (RL). AutoGraph-R1 trains an LLM constructor by framing graph generation as a policy learning problem, where the reward is derived from the graph's functional utility in a RAG pipeline. We design two novel, task-aware reward functions, one for graphs as knowledge carriers and another as knowledge indices. Across multiple QA benchmarks, AutoGraph-R1 consistently enables graph RAG methods to achieve significant performance gains over using task-agnostic baseline graphs. Our work shows it is possible to close the loop between construction and application, shifting the paradigm from building intrinsically ``good'' graphs to building demonstrably ``useful'' ones.