Transition states (TSs) are crucial for understanding reaction mechanisms, yet their exploration is limited by the complexity of experimental and computational approaches. Here we propose TS-DFM, a flow matching framework that predicts TSs from reactants and products. By operating in molecular distance geometry space, TS-DFM explicitly captures the dynamic changes of interatomic distances in chemical reactions. A network structure named TSDVNet is designed to learn the velocity field for generating TS geometries accurately. On the benchmark dataset Transition1X, TS-DFM outperforms the previous state-of-the-art method React-OT by 30\% in structural accuracy. These predicted TSs provide high-quality initial structures, accelerating the convergence of CI-NEB optimization. Additionally, TS-DFM can identify alternative reaction paths. In our experiments, even a more favorable TS with lower energy barrier is discovered. Further tests on RGD1 dataset confirm its strong generalization ability on unseen molecules and reaction types, highlighting its potential for facilitating reaction exploration.

Artificial intelligence in dynamic, real-world environments requires the capacity for continual learning. However, standard deep learning suffers from a fundamental issue: loss of plasticity, in which networks gradually lose their ability to learn from new data. Here we show that quantum learning models naturally overcome this limitation, preserving plasticity over long timescales. We demonstrate this advantage systematically across a broad spectrum of tasks from multiple learning paradigms, including supervised learning and reinforcement learning, and diverse data modalities, from classical high-dimensional images to quantum-native datasets. Although classical models exhibit performance degradation correlated with unbounded weight and gradient growth, quantum neural networks maintain consistent learning capabilities regardless of the data or task. We identify the origin of the advantage as the intrinsic physical constraints of quantum models. Unlike classical networks where unbounded weight growth leads to landscape ruggedness or saturation, the unitary constraints confine the optimization to a compact manifold. Our results suggest that the utility of quantum computing in machine learning extends beyond potential speedups, offering a robust pathway for building adaptive artificial intelligence and lifelong learners.

The paper introduces DelTriC (Delaunay Triangulation Clustering), a clustering algorithm which integrates PCA/UMAP-based projection, Delaunay triangulation, and a novel back-projection mechanism to form clusters in the original high-dimensional space. DelTriC decouples neighborhood construction from decision-making by first triangulating in a low-dimensional proxy to index local adjacency, and then back-projecting to the original space to perform robust edge pruning, merging, and anomaly detection. DelTriC can outperform traditional methods such as k-means, DBSCAN, and HDBSCAN in many scenarios; it is both scalable and accurate, and it also significantly improves outlier detection.

Chest radiography remains one of the most widely used imaging modalities for thoracic diagnosis, yet increasing imaging volumes and radiologist workload continue to challenge timely interpretation. In this work, we investigate the use of MedImageInsight, a medical imaging foundational model, for automated binary classification of chest X-rays into Normal and Abnormal categories. Two approaches were evaluated: (1) fine-tuning MedImageInsight for end-to-end classification, and (2) employing the model as a feature extractor for a transfer learning pipeline using traditional machine learning classifiers. Experiments were conducted using a combination of the ChestX-ray14 dataset and real-world clinical data sourced from partner hospitals. The fine-tuned classifier achieved the highest performance, with an ROC-AUC of 0.888 and superior calibration compared to the transfer learning models, demonstrating performance comparable to established architectures such as CheXNet. These results highlight the effectiveness of foundational medical imaging models in reducing task-specific training requirements while maintaining diagnostic reliability. The system is designed for integration into web-based and hospital PACS workflows to support triage and reduce radiologist burden. Future work will extend the model to multi-label pathology classification to provide preliminary diagnostic interpretation in clinical environments.

Consistent and natural camera lens blur is important for seamlessly blending 3D virtual objects into photographed real-scenes. Since lens blur typically varies with scene depth, the placement of virtual objects and their corresponding blur levels significantly affect the visual fidelity of mixed reality compositions. Existing pipelines often rely on camera parameters (e.g., focal length, focus distance, aperture size) and scene depth to compute the circle of confusion (CoC) for realistic lens blur rendering. However, such information is often unavailable to ordinary users, limiting the accessibility and generalizability of these methods. In this work, we propose a novel compositing approach that directly estimates the CoC map from RGB images, bypassing the need for scene depth or camera metadata. The CoC values for virtual objects are inferred through a linear relationship between its signed CoC map and depth, and realistic lens blur is rendered using a neural reblurring network. Our method provides flexible and practical solution for real-world applications. Experimental results demonstrate that our method achieves high-fidelity compositing with realistic defocus effects, outperforming state-of-the-art techniques in both qualitative and quantitative evaluations.

Abstract--Machine learning (ML) has greatly advanced data-driven channel modeling and resource optimization in wireless communication systems. However, most existing ML-based methods rely on large, accurately labeled datasets with location information, which are often difficult and costly to obtain. This paper proposes a generative framework to recover location labels directly from sequences of sparse channel state information (CSI) measurements, without explicit location labels for radio map construction. Instead of directly storing raw CSI, we learn a compact low-dimensional radio map embedding and leverage a generative model to reconstruct the high-dimensional CSI. Specifically, to address the uncertainty of sparse CSI, a dual-scale feature extraction scheme is designed to enhance feature representation by jointly exploiting correlations from angular space and across neighboring samples. We develop a hybrid recurrent-convolutional encoder to learn mobility patterns, which combines a truncation strategy and multi-scale convolutions in the recurrent neural network (RNN) to ensure feature robustness against short-term fluctuations. Unlike conventional Gaussian priors in latent space, we embed a learnable radio map to capture the location information by encoding high-level positional features from CSI measurements. Numerical experiments demonstrate that the proposed model can improve localization accuracy by over 30% and achieve a 20% capacity gain in non-line-of-sight (NLOS) scenarios compared with model-based Kalman filter approaches. ASSIVE multiple-input multiple-output (MIMO) has emerged as a cornerstone technology for 5G and beyond due to its ability to achieve efficient spatial multiplexing, high beamforming gain, and flexible interference mitigation.

Aligning Large Language Models (LLMs) with human values often involves balancing multiple, conflicting objectives such as helpfulness and harmlessness. Training these models is computationally intensive, and centralizing the process raises significant data privacy concerns. Federated Learning (FL) offers a compelling alternative, but existing Federated Multi-Objective Optimization (FMOO) methods face severe communication bottlenecks as their reliance on transmitting multiple gradients to a server is unscalable for large models. We introduce FIRM (Federated In-client Regularized Multi-objective alignment), a novel algorithm that achieves both client disagreement drift mitigation and communication efficiency. In FIRM, each client locally solves a regularized multi-objective optimization problem. By directly mitigating client disagreement drift through in-client regularization, our method eliminates the need for the multi-gradient transmissions common in prior works. Consequently, clients need only to transmit a single set of adapted parameters, maintaining high communication efficiency. We prove that our algorithm converges to Pareto-stationary points and, to our knowledge, provide the first finite-time convergence guarantees for this federated multi-objective alignment setting. Empirically, we show that FIRM leads to smoother training dynamics, reduced client disagreement drift, and improved reward trade-offs compared to baselines. We further propose a method to incorporate a preference over the objectives and report empirical Pareto plots, demonstrating that FIRM can smoothly adapt trade-offs between objectives in response to specified preferences.

Online conversations have become more prevalent on public discussion platforms (e.g. Reddit). With growing controversial topics, it is desirable to summarize not only diverse arguments, but also their rationale and justification. Early studies on text summarization focus on capturing general salient information in source documents, overlooking the argumentative nature of online conversations. Recent research on conversation summarization although considers the argumentative relationship among sentences, fail to explicate deeper argument structure within sentences for summarization. In this paper, we propose a novel task of argument-aware quantitative summarization to reveal the claim-reason structure of arguments in conversations, with quantities measuring argument strength. We further propose ARQUSUMM, a novel framework to address the task. To reveal the underlying argument structure within sentences, ARQUSUMM leverages LLM few-shot learning grounded in the argumentation theory to identify propositions within sentences and their claim-reason relationships. For quantitative summarization, ARQUSUMM employs argument structure-aware clustering algorithms to aggregate arguments and quantify their support. Experiments show that ARQUSUMM outperforms existing conversation and quantitative summarization models and generate summaries representing argument structures that are more helpful to users, of high textual quality and quantification accuracy.

Single-cell RNA sequencing (scRNA-seq) enables transcrip-tomic profiling at cellular resolution but suffers from pervasive dropout events that obscure biological signals. We present SCR-MF, a modular two-stage workflow that combines principled dropout detection using scRecover with robust non-parametric imputation via missForest. Across public and simulated datasets, SCR-MF achieves robust and interpretable performance comparable to or exceeding existing imputation methods in most cases, while preserving biological fidelity and transparency. Runtime analysis demonstrates that SCR-MF provides a competitive balance between accuracy and computational efficiency, making it suitable for mid-scale single-cell datasets.

Parkinson's disease (PD) is a progressive neurodegenerative disorder that, in addition to directly impairing functional mobility, is frequently associated with vocal impairments such as hypophonia and dysarthria, which typically manifest in the early stages. The use of vocal biomarkers to support the early diagnosis of PD presents a non-invasive, low-cost, and accessible alternative in clinical settings. Thus, the objective of this cross-sectional study was to consistently evaluate the effectiveness of a Deep Neural Network (DNN) in distinguishing individuals with Parkinson's disease from healthy controls, in comparison with traditional Machine Learning (ML) methods, using vocal biomarkers. Two publicly available voice datasets were used. Mel-frequency cepstral coefficients (MFCCs) were extracted from the samples, and model robustness was assessed using a validation strategy with 1000 independent random executions. Performance was evaluated using classification statistics. Since normality assumptions were not satisfied, non-parametric tests (Kruskal-Wallis and Bonferroni post-hoc tests) were applied to verify whether the tested classification models were similar or different in the classification of PD. With an average accuracy of $98.65\%$ and $92.11\%$ on the Italian Voice dataset and Parkinson's Telemonitoring dataset, respectively, the DNN demonstrated superior performance and efficiency compared to traditional ML models, while also achieving competitive results when benchmarked against relevant studies. Overall, this study confirms the efficiency of DNNs and emphasizes their potential to provide greater accuracy and reliability for the early detection of neurodegenerative diseases using voice-based biomarkers.