arXiv subjects

Yue Hou

Publications and source records attributed to Yue Hou.

13 recordsLinked to original sources

arXiv2026

Can Machines Really See Objects in Images? A Study Based on Syntactic Distance and Visual Self-Referential Instances

Can a vision model truly see an object, or does it only fit surface-level visual cues? Following Wittgenstein's view that the limits of language are the limits of the world, we view a model's recognition ability as bounded by the descriptive system it has learned. In current vision models, this system is often realized through learned feature representations that exploit local statistical cues. We therefore ask whether a model can still classify correctly when such local cues provide no stable basis for distinction. We formalize this question with syntactic distance, which measures class separability through the symmetry of the operations mapping one class to the other: positive distance exposes exploitable local features, whereas zero distance requires global semantics rather than local rules. We construct a visual self-referential task in maximum-variance binary noise: positive samples contain a closed square, while negative samples contain an otherwise identical square with one flipped boundary pixel. The two classes differ in global semantics but have zero syntactic distance, making local statistical shortcuts unreliable. Experiments on ResNets and Vision Transformers reveal a consistent phase-transition phenomenon, with accuracy collapsing to random guessing once the image scale crosses a critical point and does not recover within the tested range. Larger training sets and models only delay this collapse, while globally attentive ViTs reach it earlier. These results reveal a structural capability boundary of current architectures on global-concept tasks, suggesting that general intelligence may require creating new language, not reusing an existing one.

cs.CV↗

arXiv2025

NL2Repo-Bench: Towards Long-Horizon Repository Generation Evaluation of Coding Agents

Recent advances in coding agents suggest rapid progress toward autonomous software development, yet existing benchmarks fail to rigorously evaluate the long-horizon capabilities required to build complete software systems. Most prior evaluations focus on localized code generation, scaffolded completion, or short-term repair tasks, leaving open the question of whether agents can sustain coherent reasoning, planning, and execution over the extended horizons demanded by real-world repository construction. To address this gap, we present NL2Repo Bench, a benchmark explicitly designed to evaluate the long-horizon repository generation ability of coding agents. Given only a single natural-language requirements document and an empty workspace, agents must autonomously design the architecture, manage dependencies, implement multi-module logic, and produce a fully installable Python library. Our experiments across state-of-the-art open- and closed-source models reveal that long-horizon repository generation remains largely unsolved: even the strongest agents achieve below 40% average test pass rates and rarely complete an entire repository correctly. Detailed analysis uncovers fundamental long-horizon failure modes, including premature termination, loss of global coherence, fragile cross-file dependencies, and inadequate planning over hundreds of interaction steps. NL2Repo Bench establishes a rigorous, verifiable testbed for measuring sustained agentic competence and highlights long-horizon reasoning as a central bottleneck for the next generation of autonomous coding agents.

cs.CL↗

arXiv2025

Learning Thermoelectric Transport from Crystal Structures via Multiscale Graph Neural Network

Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic transport coefficients in inorganic thermoelectric crystals. The model encodes crystal structures and physicochemical properties in a multiscale manner, encompassing global, atomic, bond, and angular levels. It achieves state-of-the-art performance on benchmark datasets with remarkable extrapolative capability. By combining the proposed GNN with \textit{ab initio} calculations, we successfully identify compounds exhibiting outstanding electronic transport properties and further perform interpretability analyses from both global and atomic perspectives, tracing the origins of their distinct transport behaviors. Interestingly, the decision process of the model naturally reveals underlying physical patterns, offering new insights into computer-assisted materials design.

cond-mat.mtrl-sci↗

arXiv2025

Graph Out-of-Distribution Detection via Test-Time Calibration with Dual Dynamic Dictionaries

A key challenge in graph out-of-distribution (OOD) detection lies in the absence of ground-truth OOD samples during training. Existing methods are typically optimized to capture features within the in-distribution (ID) data and calculate OOD scores, which often limits pre-trained models from representing distributional boundaries, leading to unreliable OOD detection. Moreover, the latent structure of graph data is often governed by multiple underlying factors, which remains less explored. To address these challenges, we propose a novel test-time graph OOD detection method, termed BaCa, that calibrates OOD scores using dual dynamically updated dictionaries without requiring fine-tuning the pre-trained model. Specifically, BaCa estimates graphons and applies a mix-up strategy solely with test samples to generate diverse boundary-aware discriminative topologies, eliminating the need for exposing auxiliary datasets as outliers. We construct dual dynamic dictionaries via priority queues and attention mechanisms to adaptively capture latent ID and OOD representations, which are then utilized for boundary-aware OOD score calibration. To the best of our knowledge, extensive experiments on real-world datasets show that BaCa significantly outperforms existing state-of-the-art methods in OOD detection.

cs.LG↗

arXiv2025

Redundancy-Aware Test-Time Graph Out-of-Distribution Detection

Distributional discrepancy between training and test data can lead models to make inaccurate predictions when encountering out-of-distribution (OOD) samples in real-world applications. Although existing graph OOD detection methods leverage data-centric techniques to extract effective representations, their performance remains compromised by structural redundancy that induces semantic shifts. To address this dilemma, we propose RedOUT, an unsupervised framework that integrates structural entropy into test-time OOD detection for graph classification. Concretely, we introduce the Redundancy-aware Graph Information Bottleneck (ReGIB) and decompose the objective into essential information and irrelevant redundancy. By minimizing structural entropy, the decoupled redundancy is reduced, and theoretically grounded upper and lower bounds are proposed for optimization. Extensive experiments on real-world datasets demonstrate the superior performance of RedOUT on OOD detection. Specifically, our method achieves an average improvement of 6.7%, significantly surpassing the best competitor by 17.3% on the ClinTox/LIPO dataset pair.

cs.LG↗

arXiv2025

Efficient Agents: Building Effective Agents While Reducing Cost

The remarkable capabilities of Large Language Model (LLM)-driven agents have enabled sophisticated systems to tackle complex, multi-step tasks, but their escalating costs threaten scalability and accessibility. This work presents the first systematic study of the efficiency-effectiveness trade-off in modern agent systems, addressing the critical need for cost-effective designs without sacrificing performance. We investigate three key questions: (1) How much complexity do agentic tasks inherently require? (2) When do additional modules yield diminishing returns? (3) How much efficiency can be gained through the design of efficient agent frameworks? Through an empirical analysis on the GAIA benchmark, we evaluate the impact of LLM backbone selection, agent framework designs, and test-time scaling strategies. Using the cost-of-pass metric, we quantify the efficiency-performance trade-off across these dimensions. Our findings inform the development of Efficient Agents , a novel agent framework that has an optimal complexity to task requirements. Efficient Agents retains 96.7% of the performance of OWL, one leading open-source agent framework, while reducing operational costs from $0.398 to $0.228, resulting in a 28.4% improvement in cost-of-pass. Our work provides actionable insights for designing efficient, high-performing agent systems, advancing the accessibility and sustainability of AI-driven solutions.

cs.AI↗

arXiv2025

Accelerating Multi-Objective Collaborative Optimization of Doped Thermoelectric Materials via Artificial Intelligence

The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In this work, we present a deep learning model capable of accurately predicting thermoelectric properties of doped materials directly from their chemical formulas, achieving state-of-the-art performance. To enhance interpretability, we further incorporate sensitivity analysis techniques to elucidate how physical descriptors affect the thermoelectric figure of merit (zT). Moreover, we establish a coupled framework that integrates a surrogate model with a multi-objective genetic algorithm to efficiently explore the vast compositional space for high-performance candidates. Experimental validation confirms the discovery of a novel thermoelectric material with superior $zT$ values in the medium-temperature regime.

cond-mat.mtrl-sci↗

arXiv2025

Structural Entropy Guided Unsupervised Graph Out-Of-Distribution Detection

With the emerging of huge amount of unlabeled data, unsupervised out-of-distribution (OOD) detection is vital for ensuring the reliability of graph neural networks (GNNs) by identifying OOD samples from in-distribution (ID) ones during testing, where encountering novel or unknown data is inevitable. Existing methods often suffer from compromised performance due to redundant information in graph structures, which impairs their ability to effectively differentiate between ID and OOD data. To address this challenge, we propose SEGO, an unsupervised framework that integrates structural entropy into OOD detection regarding graph classification. Specifically, within the architecture of contrastive learning, SEGO introduces an anchor view in the form of coding tree by minimizing structural entropy. The obtained coding tree effectively removes redundant information from graphs while preserving essential structural information, enabling the capture of distinct graph patterns between ID and OOD samples. Furthermore, we present a multi-grained contrastive learning scheme at local, global, and tree levels using triplet views, where coding trees with essential information serve as the anchor view. Extensive experiments on real-world datasets validate the effectiveness of SEGO, demonstrating superior performance over state-of-the-art baselines in OOD detection. Specifically, our method achieves the best performance on 9 out of 10 dataset pairs, with an average improvement of 3.7\% on OOD detection datasets, significantly surpassing the best competitor by 10.8\% on the FreeSolv/ToxCast dataset pair.

cs.LG↗

arXiv2024

Non-Hermitian quasicrystalline topological insulators

In recent years, the interplay between non-Hermiticity and band topology is expected to uncover numerous novel physical phenomena. However, the majority of research has focused on periodic crystalline structures, with comparatively fewer studies exploring quasicrystalline systems. In this paper, we delve into the influence of asymmetric hopping on the topological insulators, specifically focusing on quantum spin Hall insulators and higher-order topological insulators in an octagonal Ammann-Beenker quasicrystalline lattice. We demonstrate that asymmetric hopping can significantly alter the distribution of edge states, leading to a uniform distribution across all boundaries or localizing them at a single edge, depending on the symmetry adjustments. Furthermore, we explore the robustness of higher-order topological corner states under perturbations, showing that these states can maintain their distribution even in the presence of non-Hermiticity. Our findings not only expand the current understanding of topological states in quasicrystals under non-Hermitian conditions, but also provide valuable theoretical guidance for manipulating corner state distributions in non-Hermitian quasicrystalline higher-order topological insulators.

cond-mat.mes-hall↗

arXiv2024

Accelerating the Discovery of Materials with Expected Thermal Conductivity via a Synergistic Strategy of DFT and Interpretable Deep Learning

Lattice thermal conductivity (LTC) is a critical parameter for thermal transport properties, playing a pivotal role in advancing thermoelectric materials and thermal management technologies. Traditional computational methods, such as Density Functional Theory (DFT) and Molecular Dynamics (MD), are resource-intensive, limiting their applicability for high-throughput LTC prediction. While AI-driven approaches have made significant strides in material science, the trade-off between accuracy and interpretability remains a major bottleneck. In this study, we introduce an interpretable deep learning framework that enables rapid and accurate LTC prediction, effectively bridging the gap between interpretability and precision. Leveraging this framework, we identify and validate four promising thermal conductors/insulators using DFT and MD. Moreover, by combining sensitivity analysis with DFT calculations, we uncover novel insights into phonon thermal transport mechanisms, providing a deeper understanding of the underlying physics. This work not only accelerates the discovery of thermal materials but also sets a new benchmark for interpretable AI in material science.

cond-mat.mtrl-sci↗

arXiv2024

NC-NCD: Novel Class Discovery for Node Classification

Novel Class Discovery (NCD) involves identifying new categories within unlabeled data by utilizing knowledge acquired from previously established categories. However, existing NCD methods often struggle to maintain a balance between the performance of old and new categories. Discovering unlabeled new categories in a class-incremental way is more practical but also more challenging, as it is frequently hindered by either catastrophic forgetting of old categories or an inability to learn new ones. Furthermore, the implementation of NCD on continuously scalable graph-structured data remains an under-explored area. In response to these challenges, we introduce for the first time a more practical NCD scenario for node classification (i.e., NC-NCD), and propose a novel self-training framework with prototype replay and distillation called SWORD, adopted to our NC-NCD setting. Our approach enables the model to cluster unlabeled new category nodes after learning labeled nodes while preserving performance on old categories without reliance on old category nodes. SWORD achieves this by employing a self-training strategy to learn new categories and preventing the forgetting of old categories through the joint use of feature prototypes and knowledge distillation. Extensive experiments on four common benchmarks demonstrate the superiority of SWORD over other state-of-the-art methods.

cs.LG↗

arXiv2024

HILL: Hierarchy-aware Information Lossless Contrastive Learning for Hierarchical Text Classification

Existing self-supervised methods in natural language processing (NLP), especially hierarchical text classification (HTC), mainly focus on self-supervised contrastive learning, extremely relying on human-designed augmentation rules to generate contrastive samples, which can potentially corrupt or distort the original information. In this paper, we tend to investigate the feasibility of a contrastive learning scheme in which the semantic and syntactic information inherent in the input sample is adequately reserved in the contrastive samples and fused during the learning process. Specifically, we propose an information lossless contrastive learning strategy for HTC, namely \textbf{H}ierarchy-aware \textbf{I}nformation \textbf{L}ossless contrastive \textbf{L}earning (HILL), which consists of a text encoder representing the input document, and a structure encoder directly generating the positive sample. The structure encoder takes the document embedding as input, extracts the essential syntactic information inherent in the label hierarchy with the principle of structural entropy minimization, and injects the syntactic information into the text representation via hierarchical representation learning. Experiments on three common datasets are conducted to verify the superiority of HILL.

cs.CL↗

arXiv2024

Structural disorder-induced topological phase transitions in quasicrystals

Recently, the structural disorder-induced topological phase transitions in periodic systems have attracted much attention. However, in aperiodic systems such as quasicrystalline systems, the interplay between structural disorder and band topology is still unclear. In this work, we investigate the effects of structural disorder on a quantum spin Hall insulator phase and a higher-order topological phase in a two-dimensional Amman-Beenker tiling quasicrystalline lattice, respectively. We demonstrate that the structural disorder can induce a topological phase transition from a quasicrystalline normal insulator phase to an amorphous quantum spin Hall insulator phase, which is confirmed by bulk gap closing and reopening, robust edge states, quantized spin Bott index and conductance. Furthermore, the structural disorder-induced higher-order topological phase transition from a quasicrystalline normal insulator phase to an amorphous higher-order topological phase characterized by quantized quadrupole moment and topological corner states is also found. More strikingly, the disorder-induced higher-order topological insulator with eight corner states represents a distinctive topological state that eludes realization in conventional crystalline systems. Our work extends the study of the interplay between disorder effects and topologies to quasicrystalline and amorphous systems.

cond-mat.mes-hall↗