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Yilun Liu

Publications and source records attributed to Yilun Liu.

At least 19 recordsLinked to original sources

Model-Aware Schedules Improve Generation via Fiberwise Optimal Transport

Diffusion and flow-matching schedules control the signal and noise coefficients that mix data and noise along affine probability paths. Minimizing a kinetic action defined on coefficient paths, motivated by optimal transport, helps explain strong baselines but remains model-agnostic and ignores prediction error. Here we introduce a model-aware schedule construction based on fiberwise optimal transport. At a fixed time and state on the probability path, compatible signal/noise decompositions form an affine fiber. We define a fiberwise prediction risk by averaging optimal-transport costs between the true and predictor-induced decompositions within these fibers. On a fixed coefficient curve, combining this risk with coefficient-path kinetic action yields a closed-form optimal time allocation. This construction extends to general linear prediction targets, and the risk profile can be estimated from an early baseline checkpoint. We evaluate DDPMs and flow matching across prediction targets, training configurations, risk-estimation checkpoints, datasets, and architectures. Our model-aware schedules consistently outperform strong baselines, including a 38.6% relative FID reduction for flow matching on CIFAR-10 at 16 function evaluations. Each model-agnostic kinetic baseline determines its own kinetic reference coordinate. In these coordinates, fiberwise-risk profiles from independently trained models in different settings align closely after normalization to unit area. The resulting schedule deformations used in training also align, suggesting empirical universality across the evaluated models and settings. Pretrained-checkpoint diagnostics extend this normalized-risk agreement to larger conditional latent diffusion and 2-RF models. A frozen analytic allocation template retains most of the model-aware improvement without further risk estimation or model-specific fitting.

cs.LG

Call Neighbours Yourself: Graph Walks with Destination-Conditioned On-Policy Self-Distillation

Reasoning over text-attributed graphs (TAGs) requires large language models (LLMs) to combine a node's text with evidence distributed across its neighbourhood. Existing methods fix the set of accessible neighbours before generation, forcing reasoning to operate over a static context and preventing the model from acquiring missing evidence during inference. We argue that neighbour selection should itself be part of the reasoning process. To this end, we propose Call Neighbours Yourself (CNY), a framework that enables LLMs to proactively explore graph neighbourhoods through topology-constrained graph-walk actions. Instead of reasoning over a pre-selected neighbour set, CNY exposes lightweight neighbour previews and learns when to expand candidate neighbours for additional evidence. To address the delayed-credit challenge of neighbour exploration, we introduce destination-conditioned on-policy self-distillation, which retrospectively evaluates a selected neighbour after its content is revealed and converts the resulting change in action preference into an action-level training signal. Experiments on standard TAG reasoning benchmarks under a unified raw-text setting show that CNY consistently outperforms fixed-context post-training baselines. Furthermore, the learned exploration policy transfers to unseen graphs and to a graph-level task not encountered during training. Code is available at https://github.com/superallen13/CNY.

cs.AI

Mendel G\"odel Machine: Recursive Self-Improving Coding Agents via Comparative Evolution

Self-improving coding agents that iteratively rewrite their own source code have demonstrated impressive performance on coding tasks. However, existing solutions generally derive self-modification from a single failure trajectory at a time, overlooking rich comparative signals available in the agent's expanding archive of past attempts. According to Mendelian principles of controlled inheritance, we introduce Mendel G\"odel Machine (MGM). In addition to the general single-trajectory clonal mutation, MGM includes two new types of self-modification that better utilizes evidences accumulated: the reaction-norm mutation edits an agent based on its trajectories on multiple tasks simultaneously, and the cross-lineage hybridization edits an agent using the trajectory of a reference agent from another lineage on the same task. Under an additive fitness landscape model, we prove theoretically and demonstrate via controlled surrogate simulation that the new strategies facilitate a faster and better convergence over single-trajectory baselines. Experiments on SWE-bench and Polyglot confirm MGM's consistent improvement in performance, efficiency, and generalizability.

cs.AI

Behavioral and Representational Evidence of Binomial Ordering Preferences in Large Language Models

Large language models (LLMs) can readily reproduce conventional expressions, yet their ability to model gradient frequency distributions remains underexplored. We investigate this using linguistic binomials, such as men and women, where both word permutations are grammatically valid but exhibit distinct, cross-linguistic variations in conventionality. We formalize binomial ordering as a distributional alignment problem, and construct a multilingual dataset of 600 binomial pairs across 8 languages. With categorical and distributional metrics, we measure and compare the corpus-derived preferences with model-induced ordering probabilities of 6 open-weight LLMs. While models often behaviorally recover the dominant corpus-preferred order, particularly for strongly conventionalized pairs, they align less well with the exact corpus preference distributions. This suggests that apparent directional order overstates how faithfully LLMs capture the statistical nuances of language use. Sparse probing verifies that the concept of preference strength is partially encoded among middle-to-late layers, and steering along probe-derived directions alters model-induced ordering distributions, demonstrating that the statistical behavioral preference of LLMs can be mechanistically measured and manipulated via internal representations.

cs.CL

MADE: Beyond Scoring via a Multilingual Agentic Diagnosing Engine for Fine-Grained Evaluation Insights

Multilingual and multicultural benchmarks now cover dozens of languages and model families, but the resulting score landscapes remain metric-rich and insight-poor, necessitating fine-grained multilingual post-evaluation diagnosis. However, single LLMs and open-ended agents are easily swamped by the long, noisy diagnostic input, and no reusable taxonomy exists for it. To address this, we propose MADE, a Multilingual Agentic Diagnosing Engine that decomposes post-evaluation analysis into planning, aggregate analysis, instance-level case inspection, multilingual and cultural reflection, and grounded report synthesis. MADE is paired with an expert-led 54-query and 15-language diagnostic set, evaluated on top of a large-scale multilingual evaluation substrate (33 model families, 11 benchmarks, 26 languages, 34 cultures, 8.66M evaluation records). Experiments show that MADE outperforms the strongest shared baseline by 47% in diagnosis report quality and is preferred by human multilingual experts in 87.9% of pairwise comparisons. Applied with multilingual experts, MADE further surfaces four actionable findings on deployment, iteration, and cross-cultural pitfalls, turning benchmark score tables into model-selection and remediation guidance.

cs.CL

PyraVid: Hierarchical Multimodal Memory for Long-Horizon Video Reasoning

Memory has become an increasingly important component of agentic systems, as these systems are expected to reason over long-term experience. However, prior work has largely focused on unimodal memory, leaving multimodal memory relatively underexplored despite its central role in real-world applications. Compared with unimodal settings, multimodal memory introduces additional challenges, including heterogeneous input integration, person-centric information alignment, and evidence aggregation across different granularities. We present PyraVid, a hierarchical multimodal memory framework inspired by Event Segmentation Theory from cognitive science. PyraVid organizes long videos into a coarse-to-fine pyramid structure, enabling structured memory access and effective evidence aggregation. It further supports structure-guided memory expansion with pruning, allowing the retrieval of related events with strong causal connectivity but low semantic similarity while reducing noise. Experiments on multiple long-video understanding benchmarks show that PyraVid consistently improves performance across datasets, model scales, and question types, highlighting the effectiveness of hierarchical multimodal memory for long-horizon reasoning.

cs.MA

M-DaQ: Retrieving Samples with Multilingual Diversity and Quality for Instruction Fine-Tuning Datasets

Multilingual instruction fine-tuning (IFT) empowers large language models to generalize across diverse linguistic and cultural contexts; however, high-quality, systematically curated multilingual IFT datasets remain scarce. To address this gap, we propose M-DaQ (Multilingual Diversity and Quality), a diversity-aware sampling framework that jointly optimizes instruction-response quality and cross-lingual semantic diversity. M-DaQ leverages a fine-tuned Quality Scoring Model alongside a maximal marginal relevance-inspired selection strategy to construct balanced, high-fidelity training data. Furthermore, we present the first systematic investigation of the Superficial Alignment Hypothesis in multilingual settings. Extensive evaluations across 18 languages demonstrate that models trained on M-DaQ-curated data achieve average win rates exceeding 60% against strong baselines on Alpaca-Eval and MT-Bench. Complementary human evaluations corroborate these gains, highlighting significant improvements in cultural relevance, contextual appropriateness, and instruction-following capability. The code are publicly released to facilitate reproducibility and future research.

cs.CL

Strain and Twist Engineering of Interfacial Thermal Transport in Homo- and Hetero-Interfaces of Graphene and Hexagonal Boron Nitride

A dramatic difference between the vertical thermal conductance response of homogeneous and heterogeneous graphene/h-BN interfaces to external mechanical perturbations, is predicted. Homogeneous graphene and h-BN interfaces exhibit strong conductance reduction for both in-plane strain and interfacial twist. Conversely, the vertical thermal conductance of the heterogeneous graphene/h-BN junction is insensitive to twist deformations but shows significant increase or decrease under compressive or tensile strains, respectively. Our atomistic simulations predictions are rationalized by Fermi's golden rule and density of phonon modes analyses, indicating that vertical phonons and local stacking configurations have a central role in the interlayer heat transport behavior. A simple phenomenological model, based on local interlayer distance and stacking, captures well the dependence of vertical heat conductance on strain and twist deformations.

cond-mat.mes-hall

The GaoYao Benchmark: A Comprehensive Framework for Evaluating Multilingual and Multicultural Abilities of Large Language Models

Evaluating the multilingual and multicultural capabilities of Large Language Models (LLMs) is essential for their global utility. However, current benchmarks face three critical limitations: (1) fragmented evaluation dimensions that often neglect deep cultural nuances; (2) insufficient language coverage in subjective tasks relying on low-quality machine translation; and (3) shallow analysis that lacks diagnostic depth beyond simple rankings. To address these, we introduce GaoYao, a comprehensive benchmark with 182.3k samples, 26 languages and 51 nations/areas. First, GaoYao proposes a unified framework categorizing evaluation tasks into three cultural layers (General Multilingual, Cross-cultural, Monocultural) and nine cognitive sub-layers. Second, we achieve native-quality expansion by leveraging experts to rigorously localize subjective benchmarks into 19 languages and synthesizing cross-cultural test sets for 34 cultures, surpassing prior coverage by up to 111%. Third, we conduct an in-depth diagnostic analysis on 20+ flagship and compact LLMs. Our findings reveal significant geographical performance disparities and distinct gaps between tasks, offering a reliable map for future work. We release the benchmark (https://github.com/lunyiliu/GaoYao).

cs.CL

TRN-R1-Zero: Text-rich Network Reasoning via LLMs with Reinforcement Learning Only

Zero-shot reasoning on text-rich networks (TRNs) remains a challenging frontier, as models must integrate textual semantics with relational structure without task-specific supervision. While graph neural networks rely on fixed label spaces and supervised objectives, recent large language model (LLM)-based approaches often overlook graph context or depend on distillation from larger models, limiting generalisation. We propose TRN-R1-Zero, a post-training framework for TRN reasoning trained solely via reinforcement learning. TRN-R1-Zero directly optimises base LLMs using a Neighbour-aware Group Relative Policy Optimisation objective that dynamically adjusts rewards based on a novel margin gain metric for the informativeness of neighbouring signals, effectively guiding the model toward relational reasoning. Unlike prior methods, TRN-R1-Zero requires no supervised fine-tuning or chain-of-thought data generated from large reasoning models. Extensive experiments across citation, hyperlink, social and co-purchase TRN benchmarks demonstrate the superiority and robustness of TRN-R1-Zero. Moreover, relying strictly on node-level training, TRN-R1-Zero achieves zero-shot inference on edge- and graph-level tasks, extending beyond cross-domain transfer. The codebase is publicly available at https://github.com/superallen13/TRN-R1-Zero.

cs.CL

LLM Safety From Within: Detecting Harmful Content with Internal Representations

Guard models are widely used to detect harmful content in user prompts and LLM responses. However, state-of-the-art guard models rely solely on terminal-layer representations and overlook the rich safety-relevant features distributed across internal layers. We present SIREN, a lightweight guard model that harnesses these internal features. By identifying safety neurons via linear probing and combining them through an adaptive layer-weighted strategy, SIREN builds a harmfulness detector from LLM internals without modifying the underlying model. Our comprehensive evaluation shows that SIREN substantially outperforms state-of-the-art open-source guard models across multiple benchmarks while using 250 times fewer trainable parameters. Moreover, SIREN exhibits superior generalization to unseen benchmarks, naturally enables real-time streaming detection, and significantly improves inference efficiency compared to generative guard models. Overall, our results highlight LLM internal states as a promising foundation for practical, high-performance harmfulness detection.

cs.AI

C-Mining: Unsupervised Discovery of Seeds for Cultural Data Synthesis via Geometric Misalignment

Achieving cultural alignment in Large Language Models (LLMs) increasingly depends on synthetic data generation. For such synthesis, the most vital initial step is seed curation; however, current methods lack quantifiable standards for selecting these seeds. Existing approaches rely on unscalable manual curation or bias-prone LLM extraction, treating cultural specificity as an abstract concept rather than a measurable signal. In this paper, we address this "quantification gap" by proposing C-Mining, an unsupervised framework that transforms the discovery of cultural seeds from a subjective selection process into a computable data mining formulation. Our approach exploits a novel geometric insight, leveraging the cross-lingual misalignment of cultural concepts within pre-trained embedding spaces as a quantifiable discovery signal. By systematically identifying these regions characterized by pronounced linguistic exclusivity and geometric isolation, while actively filtering out noise, C-Mining automatically extracts high-fidelity Culture Points (CPs) from raw multilingual corpora without reliance on human or LLM supervision, reducing preparation costs by more than 150-fold. We further leverage the mined knowledge to steer the synthesis of diverse instruction-tuning datasets. Extensive experiments demonstrate that this seed-centric approach significantly enhances cultural understanding and reasoning capabilities, achieving a +6.03 point improvement on CulturalBench-Hard and surpassing state-of-the-art baselines, providing a scalable, quantifiable solution for high-quality cultural data synthesis.

cs.CL

Structurally Triggered Breakdown of the Phonon Gas Model in Crystalline Metal-Organic Frameworks

While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport within a single framework remains a formidable challenge. Here, using extensive machine learning molecular dynamics, we demonstrate a fundamental thermal transport crossover in metal-organic frameworks. We reveal that grafting flexible side chains onto a pristine MOF backbone acts as a structural switch, strongly reducing the thermal conductivity by $\sim$70% (from $\sim 0.7$ to $\sim 0.2\ \text{W m}^{-1}\text{K}^{-1}$ at 300 K). Crucially, the functionalized derivatives exhibit a drastic transition from a classical Peierls $\sim 1/T$ decay to an anomalous, temperature-independent glass-like plateau. Reciprocal- and real-space analyses reveal the microscopic origins: the side chains act as built-in local resonators that trap acoustic energy via strong low-frequency resonant hybridization, while simultaneously inducing extreme steric crowding. Consequently, the heat-carrying phonon modes become critically damped, with their mean free paths strictly confined to the nanometer scale and their lifetimes collapsing to the Ioffe-Regel limit. This work establishes a highly programmable molecular engineering strategy to dismantle the phonon gas model, forcing crystalline frameworks into an extreme diffusive transport regime.

cond-mat.soft

Routing-Free Mixture-of-Experts

Standard Mixture-of-Experts (MoE) models rely on centralized routing mechanisms that introduce rigid inductive biases. We propose Routing-Free MoE which eliminates any hard-coded centralized designs including external routers, Softmax, Top-K and load balancing, instead encapsulating all activation functionalities within individual experts and directly optimized through continuous gradient flow, enabling each expert to determine its activation entirely on its own. We introduce a unified adaptive load-balancing framework to simultaneously optimize both expert-balancing and token-balancing objectives through a configurable interpolation, allowing flexible and customizable resource allocation. Extensive experiments show that Routing-Free MoE can consistently outperform baselines with better scalability and robustness. We analyze its behavior in detail and offer insights that may facilitate future MoE design ad optimization.

cs.LG

LEXA: Legal Case Retrieval via Graph Contrastive Learning with Contextualised LLM Embeddings

Legal case retrieval (LCR) is a specialised information retrieval task aimed at identifying relevant cases given a query case. LCR holds pivotal significance in facilitating legal practitioners to locate legal precedents. Existing LCR methods predominantly rely on traditional lexical models or language models; however, they typically overlook the domain-specific structural information embedded in legal documents. Our previous work CaseGNN successfully harnesses text-attributed graphs and graph neural networks to incorporate structural legal information. Nonetheless, three key challenges remain in enhancing the representational capacity of CaseGNN: (1) The under-utilisation of rich edge information in text-attributed case graph (TACG). (2) The insufficiency of training signals for graph contrastive learning. (3) The lack of contextualised legal information in node and edge features. In this paper, the LEXA model, an extension of CaseGNN, is proposed to overcome these limitations by jointly leveraging rich edge information, enhanced training signals, and contextualised embeddings derived from large language models (LLMs). Specifically, an edge-updated graph attention layer (EUGAT) is proposed to comprehensively update node and edge features during graph modelling, resulting in a full utilisation of structural information of legal cases. Moreover, LEXA incorporates a novel graph contrastive learning objective with graph augmentation to provide additional training signals, thereby strengthening the model's legal comprehension capabilities. What's more, LLMs are employed to generate node and edge features for TACG. Extensive experiments on two benchmark datasets demonstrate that LEXA not only significantly improves CaseGNN but also achieves supreme performance compared to state-of-the-art LCR methods.

cs.IR

Chart Specification: Structural Representations for Incentivizing VLM Reasoning in Chart-to-Code Generation

Vision-Language Models (VLMs) have shown promise in generating plotting code from chart images, yet achieving structural fidelity remains challenging. Existing approaches largely rely on supervised fine-tuning, encouraging surface-level token imitation rather than faithful modeling of underlying chart structure, which often leads to hallucinated or semantically inconsistent outputs. We propose Chart Specification, a structured intermediate representation that shifts training from text imitation to semantically grounded supervision. Chart Specification filters syntactic noise to construct a structurally balanced training set and supports a Spec-Align Reward that provides fine-grained, verifiable feedback on structural correctness, enabling reinforcement learning to enforce consistent plotting logic. Experiments on three public benchmarks show that our method consistently outperforms prior approaches. With only 3K training samples, we achieve strong data efficiency, surpassing leading baselines by up to 61.7% on complex benchmarks, and scaling to 4K samples establishes new state-of-the-art results across all evaluated metrics. Overall, our results demonstrate that precise structural supervision offers an efficient pathway to high-fidelity chart-to-code generation. Code and dataset are available at: https://github.com/Mighten/chart-specification-paper

cs.CV

R-Log: Incentivizing Log Analysis Capability in LLMs via Reasoning-based Reinforcement Learning

The growing complexity of log data in modern software systems has prompted the use of Large Language Models (LLMs) for automated log analysis. Current approaches typically rely on direct supervised fine-tuning (SFT) on log-label pairs. However, this exacerbates the domain discrepancy between general-purpose LLMs and specialized log data, causing overfitting. Furthermore, SFT's imbalanced loss computation often allows lengthy contexts to overwhelm critical, concise details in model answers, leading to hallucinations. To address these limitations, we propose R-Log, a novel reasoning-based paradigm that mirrors the structured, step-by-step analytical process of human engineers. This approach enhances generalizability by learning the underlying rules behind conclusions. We further employ Reinforcement Learning (RL) to optimize the model within a simulated O&M environment, thereby reducing hallucinations by directly rewarding correct outcomes. R-Log is first cold-started on a curated dataset of 2k+ reasoning trajectories, guided by 13 strategies from manual O&M practices, to establish an initial reasoning capability. This ability is then refined via RL using a joint reward function. Empirical evaluations on real-world logs show that R-Log outperforms existing methods across five log analysis tasks, particularly in unseen scenarios (by 228.05%). We also designed R-Log-fast with 5x speedup while keeping 93% of the efficacy.

cs.SE

Kling-Omni Technical Report

We present Kling-Omni, a generalist generative framework designed to synthesize high-fidelity videos directly from multimodal visual language inputs. Adopting an end-to-end perspective, Kling-Omni bridges the functional separation among diverse video generation, editing, and intelligent reasoning tasks, integrating them into a holistic system. Unlike disjointed pipeline approaches, Kling-Omni supports a diverse range of user inputs, including text instructions, reference images, and video contexts, processing them into a unified multimodal representation to deliver cinematic-quality and highly-intelligent video content creation. To support these capabilities, we constructed a comprehensive data system that serves as the foundation for multimodal video creation. The framework is further empowered by efficient large-scale pre-training strategies and infrastructure optimizations for inference. Comprehensive evaluations reveal that Kling-Omni demonstrates exceptional capabilities in in-context generation, reasoning-based editing, and multimodal instruction following. Moving beyond a content creation tool, we believe Kling-Omni is a pivotal advancement toward multimodal world simulators capable of perceiving, reasoning, generating and interacting with the dynamic and complex worlds.

cs.CV