arXiv subjects

Jiaxin Bai

Publications and source records attributed to Jiaxin Bai.

At least 37 records · Page 2Linked to original sources

arXiv2026

NewtonBench: Benchmarking Generalizable Scientific Law Discovery in LLM Agents

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 counterfactual law 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.

cs.AI↗

arXiv2026

Unifying Deductive and Abductive Reasoning in Knowledge Graphs with Masked Diffusion Model

Deductive and abductive reasoning are two critical paradigms for analyzing knowledge graphs, enabling applications from financial query answering to scientific discovery. Deductive reasoning on knowledge graphs usually involves retrieving entities that satisfy a complex logical query, while abductive reasoning generates plausible logical hypotheses from observations. Despite their clear synergistic potential, where deduction can validate hypotheses and abduction can uncover deeper logical patterns, existing methods address them in isolation. To bridge this gap, we propose DARK, a unified framework for Deductive and Abductive Reasoning in Knowledge graphs. As a masked diffusion model capable of capturing the bidirectional relationship between queries and conclusions, DARK has two key innovations. First, to better leverage deduction for hypothesis refinement during abductive reasoning, we introduce a self-reflective denoising process that iteratively generates and validates candidate hypotheses against the observed conclusion. Second, to discover richer logical associations, we propose a logic-exploration reinforcement learning approach that simultaneously masks queries and conclusions, enabling the model to explore novel reasoning compositions. Extensive experiments on multiple benchmark knowledge graphs show that DARK achieves state-of-the-art performance on both deductive and abductive reasoning tasks, demonstrating the significant benefits of our unified approach.

cs.AI↗

arXiv2026

Intention Knowledge Graph Construction for User Intention Relation Modeling

Understanding user intentions is challenging for online platforms. Recent work on intention knowledge graphs addresses this but often lacks focus on connecting intentions, which is crucial for modeling user behavior and predicting future actions. This paper introduces a framework to automatically generate an intention knowledge graph, capturing connections between user intentions. Using the Amazon m2 dataset, we construct an intention graph with 351 million edges, demonstrating high plausibility and acceptance. Our model effectively predicts new session intentions and enhances product recommendations, outperforming previous state-of-the-art methods and showcasing the approach's practical utility.

cs.CL↗

arXiv2025

TERAG: Token-Efficient Graph-Based Retrieval-Augmented Generation

Graph-based Retrieval-augmented generation (RAG) has become a widely studied approach for improving the reasoning, accuracy, and factuality of Large Language Models (LLMs). However, many existing graph-based RAG systems overlook the high cost associated with LLM token usage during graph construction, hindering large-scale adoption. To address this, we propose TERAG, a simple yet effective framework designed to build informative graphs at a significantly lower cost. Inspired by HippoRAG, we incorporate Personalized PageRank (PPR) during the retrieval phase, and we achieve at least 80% of the accuracy of widely used graph-based RAG methods while consuming only 3%-11% of the output tokens. With its low token footprint and efficient construction pipeline, TERAG is well-suited for large-scale and cost-sensitive deployment scenarios.

cs.AI↗

arXiv2025

DixitWorld: Evaluating Multimodal Abductive Reasoning in Vision-Language Models with Multi-Agent Dixit Gameplay

Multimodal abductive reasoning--the generation and selection of explanatory hypotheses from partial observations--is a cornerstone of intelligence. Current evaluations of this ability in vision-language models (VLMs) are largely confined to static, single-agent tasks. Inspired by Dixit, we introduce DixitWorld, a comprehensive evaluation suite designed to deconstruct this challenge. DIXITWORLD features two core components: DixitArena, a dynamic, multi-agent environment that evaluates both hypothesis generation (a "storyteller" crafting cryptic clues) and hypothesis selection ("listeners" choosing the target image from decoys) under imperfect information; and DixitBench, a static QA benchmark that isolates the listener's task for efficient, controlled evaluation. Results from DixitArena reveal distinct, role-dependent behaviors: smaller open-source models often excel as creative storytellers, producing imaginative yet less discriminative clues, whereas larger proprietary models demonstrate superior overall performance, particularly as listeners. Performance on DixitBench strongly correlates with listener results in DixitArena, validating it as a reliable proxy for hypothesis selection. Our findings reveal a key trade-off between generative creativity and discriminative understanding in multimodal abductive reasoning, a central challenge for developing more balanced and capable vision-language agents.

cs.AI↗

arXiv2025

LogiDynamics: Unraveling the Dynamics of Inductive, Abductive and Deductive Logical Inferences in LLM Reasoning

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.

cs.CL↗

arXiv2025

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.

cs.CL↗

arXiv2025

On the Role of Entity and Event Level Conceptualization in Generalizable Reasoning: A Survey of Tasks, Methods, Applications, and Future Directions

Conceptualization, a fundamental element of human cognition, plays a pivotal role in human generalizable reasoning. Generally speaking, it refers to the process of sequentially abstracting specific instances into higher-level concepts and then forming abstract knowledge that can be applied in unfamiliar or novel situations. This enhances models' inferential capabilities and supports the effective transfer of knowledge across various domains. Despite its significance, the broad nature of this term has led to inconsistencies in understanding conceptualization across various works, as there exists different types of instances that can be abstracted in a wide variety of ways. There is also a lack of a systematic overview that comprehensively examines existing works on the definition, execution, and application of conceptualization to enhance reasoning tasks. In this paper, we address these gaps by first proposing a categorization of different types of conceptualizations into four levels based on the types of instances being conceptualized, in order to clarify the term and define the scope of our work. Then, we present the first comprehensive survey of over 150 papers, surveying various definitions, resources, methods, and downstream applications related to conceptualization into a unified taxonomy, with a focus on the entity and event levels. Furthermore, we shed light on potential future directions in this field and hope to garner more attention from the community.

cs.CL↗

arXiv2025

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 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.

cs.CL↗

arXiv2025

KnowShiftQA: How Robust are RAG Systems when Textbook Knowledge Shifts in K-12 Education?

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.

cs.CL↗

arXiv2025

Enhancing Transformers for Generalizable First-Order Logical Entailment

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.

cs.CL↗

arXiv2025

Learning Federated Neural Graph Databases for Answering Complex Queries from Distributed Knowledge Graphs

The increasing demand for deep learning-based foundation models has highlighted the importance of efficient data retrieval mechanisms. Neural graph databases (NGDBs) offer a compelling solution, leveraging neural spaces to store and query graph-structured data, thereby enabling LLMs to access precise and contextually relevant information. However, current NGDBs are constrained to single-graph operation, limiting their capacity to reason across multiple, distributed graphs. Furthermore, the lack of support for multi-source graph data in existing NGDBs hinders their ability to capture the complexity and diversity of real-world data. In many applications, data is distributed across multiple sources, and the ability to reason across these sources is crucial for making informed decisions. This limitation is particularly problematic when dealing with sensitive graph data, as directly sharing and aggregating such data poses significant privacy risks. As a result, many applications that rely on NGDBs are forced to choose between compromising data privacy or sacrificing the ability to reason across multiple graphs. To address these limitations, we propose to learn Federated Neural Graph DataBase (FedNGDB), a pioneering systematic framework that empowers privacy-preserving reasoning over multi-source graph data. FedNGDB leverages federated learning to collaboratively learn graph representations across multiple sources, enriching relationships between entities, and improving the overall quality of graph data.

cs.LG↗

arXiv2025

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.

cs.CL↗

arXiv2025

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.

cs.AI↗

arXiv2024

EcomEdit: An Automated E-commerce Knowledge Editing Framework for Enhanced Product and Purchase Intention Understanding

Knowledge Editing (KE) aims to correct and update factual information in Large Language Models (LLMs) to ensure accuracy and relevance without computationally expensive fine-tuning. Though it has been proven effective in several domains, limited work has focused on its application within the e-commerce sector. However, there are naturally occurring scenarios that make KE necessary in this domain, such as the timely updating of product features and trending purchase intentions by customers, which necessitate further exploration. In this paper, we pioneer the application of KE in the e-commerce domain by presenting ECOMEDIT, an automated e-commerce knowledge editing framework tailored for e-commerce-related knowledge and tasks. Our framework leverages more powerful LLMs as judges to enable automatic knowledge conflict detection and incorporates conceptualization to enhance the semantic coverage of the knowledge to be edited. Through extensive experiments, we demonstrate the effectiveness of ECOMEDIT in improving LLMs' understanding of product descriptions and purchase intentions. We also show that LLMs, after our editing, can achieve stronger performance on downstream e-commerce tasks.

cs.CL↗

arXiv2024

MIND: Multimodal Shopping Intention Distillation from Large Vision-language Models for E-commerce Purchase Understanding

Improving user experience and providing personalized search results in E-commerce platforms heavily rely on understanding purchase intention. However, existing methods for acquiring large-scale intentions bank on distilling large language models with human annotation for verification. Such an approach tends to generate product-centric intentions, overlook valuable visual information from product images, and incurs high costs for scalability. To address these issues, we introduce MIND, a multimodal framework that allows Large Vision-Language Models (LVLMs) to infer purchase intentions from multimodal product metadata and prioritize human-centric ones. Using Amazon Review data, we apply MIND and create a multimodal intention knowledge base, which contains 1,264,441 million intentions derived from 126,142 co-buy shopping records across 107,215 products. Extensive human evaluations demonstrate the high plausibility and typicality of our obtained intentions and validate the effectiveness of our distillation framework and filtering mechanism. Additional experiments reveal that our obtained intentions significantly enhance large language models in two intention comprehension tasks.

cs.CL↗

arXiv2024

IntentionQA: A Benchmark for Evaluating Purchase Intention Comprehension Abilities of Language Models in E-commerce

Enhancing Language Models' (LMs) ability to understand purchase intentions in E-commerce scenarios is crucial for their effective assistance in various downstream tasks. However, previous approaches that distill intentions from LMs often fail to generate meaningful and human-centric intentions applicable in real-world E-commerce contexts. This raises concerns about the true comprehension and utilization of purchase intentions by LMs. In this paper, we present IntentionQA, a double-task multiple-choice question answering benchmark to evaluate LMs' comprehension of purchase intentions in E-commerce. Specifically, LMs are tasked to infer intentions based on purchased products and utilize them to predict additional purchases. IntentionQA consists of 4,360 carefully curated problems across three difficulty levels, constructed using an automated pipeline to ensure scalability on large E-commerce platforms. Human evaluations demonstrate the high quality and low false-negative rate of our benchmark. Extensive experiments across 19 language models show that they still struggle with certain scenarios, such as understanding products and intentions accurately, jointly reasoning with products and intentions, and more, in which they fall far behind human performances. Our code and data are publicly available at https://github.com/HKUST-KnowComp/IntentionQA.

cs.CL↗

arXiv2024

CLR-Fact: Evaluating the Complex Logical Reasoning Capability of Large Language Models over Factual Knowledge

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.

cs.CL↗