LingBench++: A Linguistically-Informed Benchmark and Reasoning Framework for Multi-Step and Cross-Cultural Inference with LLMs

We propose LingBench++, a linguistically-informed benchmark and reasoning framework designed to evaluate large language models (LLMs) on complex linguistic tasks inspired by the International Linguistics Olympiad (IOL). Unlike prior benchmarks that focus solely on final answer accuracy, LingBench++ provides structured reasoning traces, stepwise evaluation protocols, and rich typological metadata across over 90 low-resource and cross-cultural languages. We further develop a multi-agent architecture integrating grammatical knowledge retrieval, tool-augmented reasoning, and deliberate hypothesis testing. Through systematic comparisons of baseline and our proposed agentic models, we demonstrate that models equipped with external knowledge sources and iterative reasoning outperform single-pass approaches in both accuracy and interpretability. LingBench++ offers a comprehensive foundation for advancing linguistically grounded, culturally informed, and cognitively plausible reasoning in LLMs.

KisMATH: Do LLMs Have Knowledge of Implicit Structures in Mathematical Reasoning?

Chain-of-thought traces have been shown to improve performance of large language models in a plethora of reasoning tasks, yet there is no consensus on the mechanism through which this performance boost is achieved. To shed more light on this, we introduce Causal CoT Graphs (CCGs), which are directed acyclic graphs automatically extracted from reasoning traces that model fine-grained causal dependencies in the language model output. A collection of $1671$ mathematical reasoning problems from MATH500, GSM8K and AIME, and their associated CCGs are compiled into our dataset -- \textbf{KisMATH}. Our detailed empirical analysis with 15 open-weight LLMs shows that (i) reasoning nodes in the CCG are mediators for the final answer, a condition necessary for reasoning; and (ii) LLMs emphasise reasoning paths given by the CCG, indicating that models internally realise structures akin to our graphs. KisMATH enables controlled, graph-aligned interventions and opens up avenues for further investigation into the role of chain-of-thought in LLM reasoning.

NGTM: Substructure-based Neural Graph Topic Model for Interpretable Graph Generation

Graph generation plays a pivotal role across numerous domains, including molecular design and knowledge graph construction. Although existing methods achieve considerable success in generating realistic graphs, their interpretability remains limited, often obscuring the rationale behind structural decisions. To address this challenge, we propose the Neural Graph Topic Model (NGTM), a novel generative framework inspired by topic modeling in natural language processing. NGTM represents graphs as mixtures of latent topics, each defining a distribution over semantically meaningful substructures, which facilitates explicit interpretability at both local and global scales. The generation process transparently integrates these topic distributions with a global structural variable, enabling clear semantic tracing of each generated graph. Experiments demonstrate that NGTM achieves competitive generation quality while uniquely enabling fine-grained control and interpretability, allowing users to tune structural features or induce biological properties through topic-level adjustments.

A Collaborative Framework Integrating Large Language Model and Chemical Fragment Space: Mutual Inspiration for Lead Design

Combinatorial optimization algorithm is essential in computer-aided drug design by progressively exploring chemical space to design lead compounds with high affinity to target protein. However current methods face inherent challenges in integrating domain knowledge, limiting their performance in identifying lead compounds with novel and valid binding mode. Here, we propose AutoLeadDesign, a lead compounds design framework that inspires extensive domain knowledge encoded in large language models with chemical fragments to progressively implement efficient exploration of vast chemical space. The comprehensive experiments indicate that AutoLeadDesign outperforms baseline methods. Significantly, empirical lead design campaigns targeting two clinically relevant targets (PRMT5 and SARS-CoV-2 PLpro) demonstrate AutoLeadDesign's competence in de novo generation of lead compounds achieving expert-competitive design efficacy. Structural analysis further confirms their mechanism-validated inhibitory patterns. By tracing the process of design, we find that AutoLeadDesign shares analogous mechanisms with fragment-based drug design which traditionally rely on the expert decision-making, further revealing why it works. Overall, AutoLeadDesign offers an efficient approach for lead compounds design, suggesting its potential utility in drug design.

CogGen: A Learner-Centered Generative AI Architecture for Intelligent Tutoring with Programming Video

We introduce CogGen, a learner-centered AI architecture that transforms programming videos into interactive, adaptive learning experiences by integrating student modeling with generative AI tutoring based on the Cognitive Apprenticeship framework. The architecture consists of three components: (1) video segmentation by learning goals, (2) a conversational tutoring engine applying Cognitive Apprenticeship strategies, and (3) a student model using Bayesian Knowledge Tracing to adapt instruction. Our technical evaluation demonstrates effective video segmentation accuracy and strong pedagogical alignment across knowledge, method, action, and interaction layers. Ablation studies confirm the necessity of each component in generating effective guidance. This work advances AI-powered tutoring by bridging structured student modeling with interactive AI conversations, offering a scalable approach to enhancing video-based programming education.

Beyond Black-Box AI: Interpretable Hybrid Systems for Dementia Care

The recent boom of large language models (LLMs) has re-ignited the hope that artificial intelligence (AI) systems could aid medical diagnosis. Yet despite dazzling benchmark scores, LLM assistants have yet to deliver measurable improvements at the bedside. This scoping review aims to highlight the areas where AI is limited to make practical contributions in the clinical setting, specifically in dementia diagnosis and care. Standalone machine-learning models excel at pattern recognition but seldom provide actionable, interpretable guidance, eroding clinician trust. Adjacent use of LLMs by physicians did not result in better diagnostic accuracy or speed. Key limitations trace to the data-driven paradigm: black-box outputs which lack transparency, vulnerability to hallucinations, and weak causal reasoning. Hybrid approaches that combine statistical learning with expert rule-based knowledge, and involve clinicians throughout the process help bring back interpretability. They also fit better with existing clinical workflows, as seen in examples like PEIRS and ATHENA-CDS. Future decision-support should prioritise explanatory coherence by linking predictions to clinically meaningful causes. This can be done through neuro-symbolic or hybrid AI that combines the language ability of LLMs with human causal expertise. AI researchers have addressed this direction, with explainable AI and neuro-symbolic AI being the next logical steps in further advancement in AI. However, they are still based on data-driven knowledge integration instead of human-in-the-loop approaches. Future research should measure success not only by accuracy but by improvements in clinician understanding, workflow fit, and patient outcomes. A better understanding of what helps improve human-computer interactions is greatly needed for AI systems to become part of clinical practice.

Distilling Tool Knowledge into Language Models via Back-Translated Traces

Large language models (LLMs) often struggle with mathematical problems that require exact computation or multi-step algebraic reasoning. Tool-integrated reasoning (TIR) offers a promising solution by leveraging external tools such as code interpreters to ensure correctness, but it introduces inference-time dependencies that hinder scalability and deployment. In this work, we propose a new paradigm for distilling tool knowledge into LLMs purely through natural language. We first construct a Solver Agent that solves math problems by interleaving planning, symbolic tool calls, and reflective reasoning. Then, using a back-translation pipeline powered by multiple LLM-based agents, we convert interleaved TIR traces into natural language reasoning traces. A Translator Agent generates explanations for individual tool calls, while a Rephrase Agent merges them into a fluent and globally coherent narrative. Empirically, we show that fine-tuning a small open-source model on these synthesized traces enables it to internalize both tool knowledge and structured reasoning patterns, yielding gains on competition-level math benchmarks without requiring tool access at inference.

Lifting Data-Tracing Machine Unlearning to Knowledge-Tracing for Foundation Models

Machine unlearning removes certain training data points and their influence on AI models (e.g., when a data owner revokes their decision to allow models to learn from the data). In this position paper, we propose to lift data-tracing machine unlearning to knowledge-tracing for foundation models (FMs). We support this position based on practical needs and insights from cognitive studies. Practically, tracing data cannot meet the diverse unlearning requests for FMs, which may be from regulators, enterprise users, product teams, etc., having no access to FMs' massive training data. Instead, it is convenient for these parties to issue an unlearning request about the knowledge or capability FMs (should not) possess. Cognitively, knowledge-tracing unlearning aligns with how the human brain forgets more closely than tracing individual training data points. Finally, we provide a concrete case study about a vision-language FM to illustrate how an unlearner might instantiate the knowledge-tracing machine unlearning paradigm.

A Hierarchical Probabilistic Framework for Incremental Knowledge Tracing in Classroom Settings

Knowledge tracing (KT) aims to estimate a student's evolving knowledge state and predict their performance on new exercises based on performance history. Many realistic classroom settings for KT are typically low-resource in data and require online updates as students' exercise history grows, which creates significant challenges for existing KT approaches. To restore strong performance under low-resource conditions, we revisit the hierarchical knowledge concept (KC) information, which is typically available in many classroom settings and can provide strong prior when data are sparse. We therefore propose Knowledge-Tree-based Knowledge Tracing (KT$^2$), a probabilistic KT framework that models student understanding over a tree-structured hierarchy of knowledge concepts using a Hidden Markov Tree Model. KT$^2$ estimates student mastery via an EM algorithm and supports personalized prediction through an incremental update mechanism as new responses arrive. Our experiments show that KT$^2$ consistently outperforms strong baselines in realistic online, low-resource settings.

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.