OpenRaiser/Intern-Atlas huggingface dataset:
Hybrid Quantum Neural Networks for Efficient Protein-Ligand Binding Affinity Prediction
Venue: arXiv cs.ET 2025
Year: 2025

Protein-ligand binding affinity is critical in drug discovery, but experimentally determining it is time-consuming and expensive. Artificial intelligence (AI) has been used to predict binding affinity, significantly accelerating this process. However, the high-performance requirements and vast datasets involved in affinity prediction demand increasingly large AI models, requiring substantial computational resources and training time. Quantum machine learning has emerged as a promising solution to these challenges. In particular, hybrid quantum-classical models can reduce the number of parameters while maintaining or improving performance compared to classical counterparts. Despite these advantages, challenges persist: why hybrid quantum models achieve these benefits, whether quantum neural networks (QNNs) can replace classical neural networks, and whether such models are feasible on noisy intermediate-scale quantum (NISQ) devices. This study addresses these challenges by proposing a hybrid quantum neural network (HQNN) that empirically demonstrates the capability to approximate non-linear functions in the latent feature space derived from classical embedding. The primary goal of this study is to achieve a parameter-efficient model in binding affinity prediction while ensuring feasibility on NISQ devices. Numerical results indicate that HQNN achieves comparable or superior performance and parameter efficiency compared to classical neural networks, underscoring its potential as a viable replacement. This study highlights the potential of hybrid QML in computational drug discovery, offering insights into its applicability and advantages in addressing the computational challenges of protein-ligand binding affinity prediction.
Commenotes: Synthesizing Organic Comments to Support Community-Based Fact-Checking
Venue: arXiv cs.HC 2025
Year: 2025

Community-based fact-checking is promising to reduce the spread of misleading posts at scale. However, its effectiveness can be undermined by the delays in fact-check delivery. Notably, user-initiated organic comments often contain debunking information and have the potential to help mitigate this limitation. Here, we investigate the feasibility of synthesizing comments to generate timely high-quality fact-checks. To this end, we analyze over 2.2 million replies on X and introduce Commenotes, a two-phase framework that filters and synthesizes comments to facilitate fact-check delivery. Our framework reveals that fact-checking comments appear early and sufficiently: 99.3\% of misleading posts receive debunking comments within the initial two hours since post publication, with synthesized \textit{commenotes} successfully earning user trust for 85.8\% of those posts. Additionally, a user study (N=144) found that the synthesized commenotes were often preferred, with the best-performing model achieving a 70.1\% win rate over human notes and being rated as significantly more helpful.
An Advanced Convolutional Neural Network for Bearing Fault Diagnosis under Limited Data
Venue: arXiv cs.LG 2025
Year: 2025

In the area of bearing fault diagnosis, deep learning (DL) methods have been widely used recently. However, due to the high cost or privacy concerns, high-quality labeled data are scarce in real world scenarios. While few-shot learning has shown promise in addressing data scarcity, existing methods still face significant limitations in this domain. Traditional data augmentation techniques often suffer from mode collapse and generate low-quality samples that fail to capture the diversity of bearing fault patterns. Moreover, conventional convolutional neural networks (CNNs) with local receptive fields makes them inadequate for extracting global features from complex vibration signals. Additionally, existing methods fail to model the intricate relationships between limited training samples. To solve these problems, we propose an advanced data augmentation and contrastive fourier convolution framework (DAC-FCF) for bearing fault diagnosis under limited data. Firstly, a novel conditional consistent latent representation and reconstruction generative adversarial network (CCLR-GAN) is proposed to generate more diverse data. Secondly, a contrastive learning based joint optimization mechanism is utilized to better model the relations between the available training data. Finally, we propose a 1D fourier convolution neural network (1D-FCNN) to achieve a global-aware of the input data. Experiments demonstrate that DAC-FCF achieves significant improvements, outperforming baselines by up to 32\% on case western reserve university (CWRU) dataset and 10\% on a self-collected test bench. Extensive ablation experiments prove the effectiveness of the proposed components. Thus, the proposed DAC-FCF offers a promising solution for bearing fault diagnosis under limited data.
Filling the Gaps: A Multitask Hybrid Multiscale Generative Framework for Missing Modality in Remote Sensing Semantic Segmentation
Venue: arXiv cs.CV 2025
Year: 2025

Multimodal learning has shown significant performance boost compared to ordinary unimodal models across various domains. However, in real-world scenarios, multimodal signals are susceptible to missing because of sensor failures and adverse weather conditions, which drastically deteriorates models' operation and performance. Generative models such as AutoEncoder (AE) and Generative Adversarial Network (GAN) are intuitive solutions aiming to reconstruct missing modality from available ones. Yet, their efficacy in remote sensing semantic segmentation remains underexplored. In this paper, we first examine the limitations of existing generative approaches in handling the heterogeneity of multimodal remote sensing data. They inadequately capture semantic context in complex scenes with large intra-class and small inter-class variation. In addition, traditional generative models are susceptible to heavy dependence on the dominant modality, introducing bias that affects model robustness under missing modality conditions. To tackle these limitations, we propose a novel Generative-Enhanced MultiModal learning Network (GEMMNet) with three key components: (1) Hybrid Feature Extractor (HyFEx) to effectively learn modality-specific representations, (2) Hybrid Fusion with Multiscale Awareness (HyFMA) to capture modality-synergistic semantic context across scales and (3) Complementary Loss (CoLoss) scheme to alleviate the inherent bias by encouraging consistency across modalities and tasks. Our method, GEMMNet, outperforms both generative baselines AE, cGAN (conditional GAN), and state-of-the-art non-generative approaches - mmformer and shaspec - on two challenging semantic segmentation remote sensing datasets (Vaihingen and Potsdam). Source code is made available.
WildSmoke: Ready-to-Use Dynamic 3D Smoke Assets from a Single Video in the Wild
Venue: arXiv cs.CV 2025
Year: 2025

We propose a pipeline to extract and reconstruct dynamic 3D smoke assets from a single in-the-wild video, and further integrate interactive simulation for smoke design and editing. Recent developments in 3D vision have significantly improved reconstructing and rendering fluid dynamics, supporting realistic and temporally consistent view synthesis. However, current fluid reconstructions rely heavily on carefully controlled clean lab environments, whereas real-world videos captured in the wild are largely underexplored. We pinpoint three key challenges of reconstructing smoke in real-world videos and design targeted techniques, including smoke extraction with background removal, initialization of smoke particles and camera poses, and inferring multi-view videos. Our method not only outperforms previous reconstruction and generation methods with high-quality smoke reconstructions (+2.22 average PSNR on wild videos), but also enables diverse and realistic editing of fluid dynamics by simulating our smoke assets. We provide our models, data, and 4D smoke assets at [https://autumnyq.github.io/WildSmoke](https://autumnyq.github.io/WildSmoke).
Joint Effects of Argumentation Theory, Audio Modality and Data Enrichment on LLM-Based Fallacy Classification
Venue: arXiv cs.CL 2025
Year: 2025

This study investigates how context and emotional tone metadata influence large language model (LLM) reasoning and performance in fallacy classification tasks, particularly within political debate settings. Using data from U.S. presidential debates, we classify six fallacy types through various prompting strategies applied to the Qwen-3 (8B) model. We introduce two theoretically grounded Chain-of-Thought frameworks: Pragma-Dialectics and the Periodic Table of Arguments, and evaluate their effectiveness against a baseline prompt under three input settings: text-only, text with context, and text with both context and audio-based emotional tone metadata. Results suggest that while theoretical prompting can improve interpretability and, in some cases, accuracy, the addition of context and especially emotional tone metadata often leads to lowered performance. Emotional tone metadata biases the model toward labeling statements as \textit{Appeal to Emotion}, worsening logical reasoning. Overall, basic prompts often outperformed enhanced ones, suggesting that attention dilution from added inputs may worsen rather than improve fallacy classification in LLMs.
Understanding the Information Cocoon: A Multidimensional Assessment and Analysis of News Recommendation Systems
Venue: arXiv cs.IR 2025
Year: 2025

Personalized news recommendation systems inadvertently create information cocoons--homogeneous information bubbles that reinforce user biases and amplify societal polarization. To address the lack of comprehensive assessment frameworks in prior research, we propose a multidimensional analysis that evaluates cocoons through dual perspectives: (1) Individual homogenization via topic diversity (including the number of topic categories and category information entropy) and click repetition; (2) Group polarization via network density and community openness. Through multi-round experiments on real-world datasets, we benchmark seven algorithms and reveal critical insights. Furthermore, we design five lightweight mitigation strategies. This work establishes the first unified metric framework for information cocoons and delivers deployable solutions for ethical recommendation systems.
Linear Complexity $\mathcal{H}^2$ Direct Solver for Fine-Grained Parallel Architectures
Venue: arXiv cs.DC 2025
Year: 2025

We present factorization and solution phases for a new linear complexity direct solver designed for concurrent batch operations on fine-grained parallel architectures, for matrices amenable to hierarchical representation. We focus on the strong-admissibility-based $\mathcal{H}^2$ format, where strong recursive skeletonization factorization compresses remote interactions. We build upon previous implementations of $\mathcal{H}^2$ matrix construction for efficient factorization and solution algorithm design, which are illustrated graphically in stepwise detail. The algorithms are ``blackbox'' in the sense that the only inputs are the matrix and right-hand side, without analytical or geometrical information about the origin of the system. We demonstrate linear complexity scaling in both time and memory on four representative families of dense matrices up to one million in size. Parallel scaling up to 16 threads is enabled by a multi-level matrix graph coloring and avoidance of dynamic memory allocations thanks to prefix-sum memory management. An experimental backward error analysis is included. We break down the timings of different phases, identify phases that are memory-bandwidth limited, and discuss alternatives for phases that may be sensitive to the trend to employ lower precisions for performance.
UDFS: Lightweight Representation-Driven Open World Robust Encrypted Traffic Classification
Venue: arXiv cs.NI 2025
Year: 2025

In recent years, sequence features such as packet length have received considerable attention due to their central role in encrypted traffic analysis. Existing sequence modeling approaches can be broadly categorized into flow-level and trace-level methods: the former suffer from high feature redundancy, limiting their discriminative power, whereas the latter preserve complete information but incur substantial computational and storage overhead. To address these limitations, we propose the \textbf{U}p-\textbf{D}own \textbf{F}low \textbf{S}equence (\textbf{UDFS}) representation, which compresses an entire trace into a two-dimensional sequence and characterizes each flow by the aggregate of its upstream and downstream traffic, reducing complexity while maintaining high discriminability. Furthermore, to address the challenge of class-specific discriminability differences, we propose an adaptive threshold mechanism that dynamically adjusts training weights and rejection boundaries, enhancing the model's classification performance. Experimental results demonstrate that the proposed method achieves superior classification performance and robustness on both coarse-grained and fine-grained datasets, as well as under concept drift and open-world scenarios. Code and Dataset are available at https://github.com/kid1999/UDFS.
SAMP: Spatial Anchor-based Motion Policy for Collision-Aware Robotic Manipulators
Venue: arXiv cs.RO 2025
Year: 2025

Neural-based motion planning methods have achieved remarkable progress for robotic manipulators, yet a fundamental challenge lies in simultaneously accounting for both the robot's physical shape and the surrounding environment when generating safe and feasible motions. Moreover, existing approaches often rely on simplified robot models or focus primarily on obstacle representation, which can lead to incomplete collision detection and degraded performance in cluttered scenes. To address these limitations, we propose spatial anchor-based motion policy (SAMP), a unified framework that simultaneously encodes the environment and the manipulator using signed distance field (SDF) anchored on a shared spatial grid. SAMP incorporates a dedicated robot SDF network that captures the manipulator's precise geometry, enabling collision-aware reasoning beyond coarse link approximations. These representations are fused on spatial anchors and used to train a neural motion policy that generates smooth, collision-free trajectories in the proposed efficient feature alignment strategy. Experiments conducted in both simulated and real-world environments consistently show that SAMP outperforms existing methods, delivering an 11% increase in success rate and a 7% reduction in collision rate. These results highlight the benefits of jointly modelling robot and environment geometry, demonstrating its practical value in challenging real-world environments.
UserTrace: User-Level Requirements Generation and Traceability Recovery from Software Project Repositories
Venue: arXiv cs.SE 2025
Year: 2025

Software maintainability critically depends on high-quality requirements descriptions and explicit traceability between requirements and code. Although automated code summarization (ACS) and requirements traceability (RT) techniques have been widely studied, existing ACS methods mainly generate implementation-level (i.e., developer-oriented) requirements (IRs) for fine-grained units (e.g., methods), while RT techniques often overlook the impact of project evolution. As a result, user-level (i.e., end user-oriented) requirements (URs) and live trace links remain underexplored, despite their importance for supporting user understanding and for validating whether AI-generated software aligns with user intent. To address this gap, we propose UserTrace, a multi-agent system that automatically generates URs and recovers live trace links (from URs to IRs to code) from software repositories. UserTrace coordinates four specialized agents (i.e., Code Reviewer, Searcher, Writer, and Verifier) through a three-phase process: structuring repository dependencies, deriving IRs for code units, and synthesizing URs with domain-specific context. Our comparative evaluation shows that UserTrace produces URs with higher completeness, correctness, and helpfulness than an established baseline, and achieves superior precision in trace link recovery compared to five state-of-the-art RT approaches. A user study further demonstrates that UserTrace helps end users validate whether the AI-generated repositories align with their intent.
Contextualized Multimodal Lifelong Person Re-Identification in Hybrid Clothing States
Venue: arXiv cs.CV 2025
Year: 2025

Person Re-Identification (ReID) has several challenges in real-world surveillance systems due to clothing changes (CCReID) and the need for maintaining continual learning (LReID). Previous existing methods either develop models specifically for one application, which is mostly a same-cloth (SC) setting or treat CCReID as its own separate sub-problem. In this work, we will introduce the LReID-Hybrid task with the goal of developing a model to achieve both SC and CC while learning in a continual setting. Mismatched representations and forgetting from one task to the next are significant issues, we address this with CMLReID, a CLIP-based framework composed of two novel tasks: (1) Context-Aware Semantic Prompt (CASP) that generates adaptive prompts, and also incorporates context to align richly multi-grained visual cues with semantic text space; and (2) Adaptive Knowledge Fusion and Projection (AKFP) which produces robust SC/CC prototypes through the use of a dual-path learner that aligns features with our Clothing-State-Aware Projection Loss. Experiments performed on a wide range of datasets and illustrate that CMLReID outperforms all state-of-the-art methods with strong robustness and generalization despite clothing variations and a sophisticated process of sequential learning.
Identifying Imperfect Clones in Elections
Venue: arXiv cs.GT 2025
Year: 2025

A perfect clone in an ordinal election (i.e., an election where the voters rank the candidates in a strict linear order) is a set of candidates that each voter ranks consecutively. We consider different relaxations of this notion: independent or subelection clones are sets of candidates that only some of the voters recognize as a perfect clone, whereas approximate clones are sets of candidates such that every voter ranks their members close to each other, but not necessarily consecutively. We establish the complexity of identifying such imperfect clones, and of partitioning the candidates into families of imperfect clones. We also study the parameterized complexity of these problems with respect to a set of natural parameters such as the number of voters, the size or the number of imperfect clones we are searching for, or their level of imperfection.
ROSGS: Relightable Outdoor Scenes With Gaussian Splatting
Venue: arXiv cs.CV 2025
Year: 2025

Image data captured outdoors often exhibit unbounded scenes and unconstrained, varying lighting conditions, making it challenging to decompose them into geometry, reflectance, and illumination. Recent works have focused on achieving this decomposition using Neural Radiance Fields (NeRF) or the 3D Gaussian Splatting (3DGS) representation but remain hindered by two key limitations: the high computational overhead associated with neural networks of NeRF and the use of low-frequency lighting representations, which often result in inefficient rendering and suboptimal relighting accuracy. We propose ROSGS, a two-stage pipeline designed to efficiently reconstruct relightable outdoor scenes using the Gaussian Splatting representation. By leveraging monocular normal priors, ROSGS first reconstructs the scene's geometry with the compact 2D Gaussian Splatting (2DGS) representation, providing an efficient and accurate geometric foundation. Building upon this reconstructed geometry, ROSGS then decomposes the scene's texture and lighting through a hybrid lighting model. This model effectively represents typical outdoor lighting by employing a spherical Gaussian function to capture the directional, high-frequency components of sunlight, while learning a radiance transfer function via Spherical Harmonic coefficients to model the remaining low-frequency skylight comprehensively. Both quantitative metrics and qualitative comparisons demonstrate that ROSGS achieves state-of-the-art performance in relighting outdoor scenes and highlight its ability to deliver superior relighting accuracy and rendering efficiency.
UnLoc: Leveraging Depth Uncertainties for Floorplan Localization
Venue: arXiv cs.CV 2025
Year: 2025

We propose UnLoc, an efficient data-driven solution for sequential camera localization within floorplans. Floorplan data is readily available, long-term persistent, and robust to changes in visual appearance. We address key limitations of recent methods, such as the lack of uncertainty modeling in depth predictions and the necessity for custom depth networks trained for each environment. We introduce a novel probabilistic model that incorporates uncertainty estimation, modeling depth predictions as explicit probability distributions. By leveraging off-the-shelf pre-trained monocular depth models, we eliminate the need to rely on per-environment-trained depth networks, enhancing generalization to unseen spaces. We evaluate UnLoc on large-scale synthetic and real-world datasets, demonstrating significant improvements over existing methods in terms of accuracy and robustness. Notably, we achieve $2.7$ times higher localization recall on long sequences (100 frames) and $16.7$ times higher on short ones (15 frames) than the state of the art on the challenging LaMAR HGE dataset.
Beyond Instance Consistency: Investigating View Diversity in Self-supervised Learning
Venue: arXiv cs.CV 2025
Year: 2025

Self-supervised learning (SSL) conventionally relies on the instance consistency paradigm, assuming that different views of the same image can be treated as positive pairs. However, this assumption breaks down for non-iconic data, where different views may contain distinct objects or semantic information. In this paper, we investigate the effectiveness of SSL when instance consistency is not guaranteed. Through extensive ablation studies, we demonstrate that SSL can still learn meaningful representations even when positive pairs lack strict instance consistency. Furthermore, our analysis further reveals that increasing view diversity, by enforcing zero overlapping or using smaller crop scales, can enhance downstream performance on classification and dense prediction tasks. However, excessive diversity is found to reduce effectiveness, suggesting an optimal range for view diversity. To quantify this, we adopt the Earth Mover's Distance (EMD) as an estimator to measure mutual information between views, finding that moderate EMD values correlate with improved SSL learning, providing insights for future SSL framework design. We validate our findings across a range of settings, highlighting their robustness and applicability on diverse data sources.