Statistical Learning
Large Scale Community-Aware Network Generation
Ramavarapu, Vikram, Lamy, João Alfredo Cardoso, Dindoost, Mohammad, Bader, David A.
Community detection, or network clustering, is used to identify latent community structure in networks. Due to the scarcity of labeled ground truth in real-world networks, evaluating these algorithms poses significant challenges. To address this, researchers use synthetic network generators that produce networks with ground-truth community labels. RECCS is one such algorithm that takes a network and its clustering as input and generates a synthetic network through a modular pipeline. Each generated ground truth cluster preserves key characteristics of the corresponding input cluster, including connectivity, minimum degree, and degree sequence distribution. The output consists of a synthetically generated network, and disjoint ground truth cluster labels for all nodes. In this paper, we present two enhanced versions: RECCS+ and RECCS++. RECCS+ maintains algorithmic fidelity to the original RECCS while introducing parallelization through an orchestrator that coordinates algorithmic components across multiple processes and employs multithreading. RECCS++ builds upon this foundation with additional algorithmic optimizations to achieve further speedup. Our experimental results demonstrate that RECCS+ and RECCS++ achieve speedups of up to 49x and 139x respectively on our benchmark datasets, with RECCS++'s additional performance gains involving a modest accuracy tradeoff. With this newfound performance, RECCS++ can now scale to networks with over 100 million nodes and nearly 2 billion edges.
Designing Preconditioners for SGD: Local Conditioning, Noise Floors, and Basin Stability
Scott, Mitchell, Xu, Tianshi, Tang, Ziyuan, Pichette-Emmons, Alexandra, Ye, Qiang, Saad, Yousef, Xi, Yuanzhe
Stochastic Gradient Descent (SGD) often slows in the late stage of training due to anisotropic curvature and gradient noise. We analyze preconditioned SGD in the geometry induced by a symmetric positive definite matrix $\mathbf{M}$, deriving bounds in which both the convergence rate and the stochastic noise floor are governed by $\mathbf{M}$-dependent quantities: the rate through an effective condition number in the $\mathbf{M}$-metric, and the floor through the product of that condition number and the preconditioned noise level. For nonconvex objectives, we establish a preconditioner-dependent basin-stability guarantee: when smoothness and basin size are measured in the $\mathbf{M}$-norm, the probability that the iterates remain in a well-behaved local region admits an explicit lower bound. This perspective is particularly relevant in Scientific Machine Learning (SciML), where achieving small training loss under stochastic updates is closely tied to physical fidelity, numerical stability, and constraint satisfaction. The framework applies to both diagonal/adaptive and curvature-aware preconditioners and yields a simple design principle: choose $\mathbf{M}$ to improve local conditioning while attenuating noise. Experiments on a quadratic diagnostic and three SciML benchmarks validate the predicted rate-floor behavior.
Synthetic Data: AI's New Weapon Against Android Malware
Nogueira, Angelo Gaspar Diniz, Paim, Kayua Oleques, Bragança, Hendrio, Mansilha, Rodrigo Brandão, Kreutz, Diego
The ever-increasing number of Android devices and the accelerated evolution of malware, reaching over 35 million samples by 2024, highlight the critical importance of effective detection methods. Attackers are now using Artificial Intelligence to create sophisticated malware variations that can easily evade traditional detection techniques. Although machine learning has shown promise in malware classification, its success relies heavily on the availability of up-to-date, high-quality datasets. The scarcity and high cost of obtaining and labeling real malware samples presents significant challenges in developing robust detection models. In this paper, we propose MalSynGen, a Malware Synthetic Data Generation methodology that uses a conditional Generative Adversarial Network (cGAN) to generate synthetic tabular data. This data preserves the statistical properties of real-world data and improves the performance of Android malware classifiers. We evaluated the effectiveness of this approach using various datasets and metrics that assess the fidelity of the generated data, its utility in classification, and the computational efficiency of the process. Our experiments demonstrate that MalSynGen can generalize across different datasets, providing a viable solution to address the issues of obsolescence and low quality data in malware detection. With approximately 3 billion Android devices in operation worldwide [1], the mobile cybersecurity landscape faces formidable challenges. In 2024 alone, Kaspersky reported over 33.3 million cyberattacks targeting smartphone users globally, encompassing diverse forms of malware and unwanted software [2]. Adding to this problem, attackers are using Artificial Intelligence (AI) to rapidly generate new malware variants by exploiting patterns learned from existing malware [3].
Blinking Beyond EAR: A Stable Eyelid Angle Metric for Driver Drowsiness Detection and Data Augmentation
Wolter, Mathis, Perez, Julie Stephany Berrio, Shan, Mao
Abstract-- Detecting driver drowsiness reliably is crucial for enhancing road safety and supporting advanced driver assistance systems (ADAS). We introduce the Eyelid Angle (ELA), a novel, reproducible metric of eye openness derived from 3D facial landmarks. Unlike conventional binary eye state estimators or 2D measures, such as the Eye Aspect Ratio (EAR), the ELA provides a stable geometric description of eyelid motion that is robust to variations in camera angle. Using the ELA, we design a blink detection framework that extracts temporal characteristics, including the closing, closed, and reopening durations, which are shown to correlate with drowsiness levels. T o address the scarcity and risk of collecting natural drowsiness data, we further leverage ELA signals to animate rigged avatars in Blender 3D, enabling the creation of realistic synthetic datasets with controllable noise, camera viewpoints, and blink dynamics. Experimental results in public driver monitoring datasets demonstrate that the ELA offers lower variance under viewpoint changes compared to EAR and achieves accurate blink detection. At the same time, synthetic augmentation expands the diversity of training data for drowsiness recognition. Our findings highlight the ELA as both a reliable biometric measure and a powerful tool for generating scalable datasets in driver state monitoring. URL: The link with the code will be made publicly available upon acceptance.
CycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery
Lam, Hou Hei, Qiu, Jiangjie, Hu, Xiuyuan, Li, Wentao, Zeng, Fankun, Fu, Siwei, Zhang, Hao, Wang, Xiaonan
Organic photovoltaic (OPV) materials offer a promising path toward sustainable energy generation, but their development is limited by the difficulty of identifying high performance donor and acceptor pairs with strong power conversion efficiencies (PCEs). Existing design strategies typically focus on either the donor or the acceptor alone, rather than using a unified approach capable of modeling both components. In this work, we introduce a dual machine learning framework for OPV discovery that combines predictive modeling with generative molecular design. We present the Organic Photovoltaic Donor Acceptor Dataset (OPV2D), the largest curated dataset of its kind, containing 2000 experimentally characterized donor acceptor pairs. Using this dataset, we develop the Organic Photovoltaic Classifier (OPVC) to predict whether a material exhibits OPV behavior, and a hierarchical graph neural network that incorporates multi task learning and donor acceptor interaction modeling. This framework includes the Molecular Orbital Energy Estimator (MOE2) for predicting HOMO and LUMO energy levels, and the Photovoltaic Performance Predictor (P3) for estimating PCE. In addition, we introduce the Material Generative Pretrained Transformer (MatGPT) to produce synthetically accessible organic semiconductors, guided by a reinforcement learning strategy with three objective policy optimization. By linking molecular representation learning with performance prediction, our framework advances data driven discovery of high performance OPV materials.
Hierarchical Dual-Strategy Unlearning for Biomedical and Healthcare Intelligence Using Imperfect and Privacy-Sensitive Medical Data
Zhang, Yi, Xu, Tianxiang, Li, Zijian, Zhang, Chao, Zhang, Kunyu, Gao, Zhan, Li, Meinuo, Zhang, Xiaohan, Qi, Qichao, Chen, Bing
Abstract--Large language models (LLMs) exhibit exceptional performance but pose substantial privacy risks due to training data memorization, particularly within healthcare contexts involving imperfect or privacy-sensitive patient information. We present a hierarchical dual-strategy framework for selective knowledge unlearning that precisely removes specialized knowledge while preserving fundamental medical competencies. Our approach synergistically integrates geometric-constrained gradient updates to selectively modulate target parameters with concept-aware token-level interventions that distinguish between preservation-critical and unlearning-targeted tokens via a unified four-level medical concept hierarchy. Comprehensive evaluations on the MedMCQA (surgical) and MHQA (anxiety, depression, trauma) datasets demonstrate superior performance, achieving an 82.7% forgetting rate and 88.5% knowledge preservation. Notably, our framework maintains robust privacy guarantees while requiring modification of only 0.1% of parameters, addressing critical needs for regulatory compliance, auditability, and ethical standards in clinical research. Large language models (LLMs) have transformed healthcare informatics, demonstrating remarkable capabilities in medical question-answering and clinical decision support. However, their deployment faces significant challenges when dealing with imperfect medical data, which is characteristically incomplete, insufficiently labelled, imbalanced, or contains annotation noise [4].
OpenCML: End-to-End Framework of Open-world Machine Learning to Learn Unknown Classes Incrementally
Parmar, Jitendra, Thakur, Praveen Singh
Open-world machine learning is an emerging technique in artificial intelligence, where conventional machine learning models often follow closed-world assumptions, which can hinder their ability to retain previously learned knowledge for future tasks. However, automated intelligence systems must learn about novel classes and previously known tasks. The proposed model offers novel learning classes in an open and continuous learning environment. It consists of two different but connected tasks. First, it discovers unknown classes in the data and creates novel classes; next, it learns how to perform class incrementally for each new class. Together, they enable continual learning, allowing the system to expand its understanding of the data and improve over time. The proposed model also outperformed existing approaches in open-world learning. Furthermore, it demonstrated strong performance in continuous learning, achieving a highest average accuracy of 82.54% over four iterations and a minimum accuracy of 65.87%.
Quality analysis and evaluation prediction of RAG retrieval based on machine learning algorithms
Zhang, Ruoxin, Wen, Zhizhao, Wang, Chao, Tang, Chenchen, Xu, Puyang, Jiang, Yifan
With the rapid evolution of large language models, retrieval enhanced generation technology has been widely used due to its ability to integrate external knowledge to improve output accuracy. However, the performance of the system is highly dependent on the quality of the retrieval module. If the retrieval results have low relevance to user needs or contain noisy information, it will directly lead to distortion of the generated content. In response to the performance bottleneck of existing models in processing tabular features, this paper proposes an XGBoost machine learning regression model based on feature engineering and particle swarm optimization. Correlation analysis shows that answer_quality is positively correlated with doc_delevance by 0.66, indicating that document relevance has a significant positive effect on answer quality, and improving document relevance may enhance answer quality; The strong negative correlations between semantic similarity, redundancy, and diversity were -0.89 and -0.88, respectively, indicating a tradeoff between semantic similarity, redundancy, and diversity. In other words, as the former two increased, diversity significantly decreased. The experimental results comparing decision trees, AdaBoost, etc. show that the VMD PSO BiLSTM model is superior in all evaluation indicators, with significantly lower MSE, RMSE, MAE, and MAPE compared to the comparison model. The R2 value is higher, indicating that its prediction accuracy, stability, and data interpretation ability are more outstanding. This achievement provides an effective path for optimizing the retrieval quality and improving the generation effect of RAG system, and has important value in promoting the implementation and application of related technologies.
Quantifying Modality Contributions via Disentangling Multimodal Representations
Amit, Padegal, Kashyap, Omkar Mahesh, Rayasam, Namitha, Shekhar, Nidhi, Narayan, Surabhi
Quantifying modality contributions in multimodal models remains a challenge, as existing approaches conflate the notion of contribution itself. Prior work relies on accuracy-based approaches, interpreting performance drops after removing a modality as indicative of its influence. However, such outcome-driven metrics fail to distinguish whether a modality is inherently informative or whether its value arises only through interaction with other modalities. This distinction is particularly important in cross-attention architectures, where modalities influence each other's representations. In this work, we propose a framework based on Partial Information Decomposition (PID) that quantifies modality contributions by decomposing predictive information in internal embeddings into unique, redundant, and synergistic components. To enable scalable, inference-only analysis, we develop an algorithm based on the Iterative Proportional Fitting Procedure (IPFP) that computes layer and dataset-level contributions without retraining. This provides a principled, representation-level view of multimodal behavior, offering clearer and more interpretable insights than outcome-based metrics.
SG-OIF: A Stability-Guided Online Influence Framework for Reliable Vision Data
Rao, Penghao, Jiang, Runmin, Xu, Min
Approximating training-point influence on test predictions is critical for deploying deep-learning vision models, essential for locating noisy data. Though the influence function was proposed for attributing how infinitesimal up-weighting or removal of individual training examples affects model outputs, its implementation is still challenging in deep-learning vision models: inverse-curvature computations are expensive, and training non-stationarity invalidates static approximations. Prior works use iterative solvers and low-rank surrogates to reduce cost, but offline computation lags behind training dynamics, and missing confidence calibration yields fragile rankings that misidentify critical examples. To address these challenges, we introduce a Stability-Guided Online Influence Framework (SG-OIF), the first framework that treats algorithmic stability as a real-time controller, which (i) maintains lightweight anchor IHVPs via stochastic Richardson and preconditioned Neumann; (ii) proposes modular curvature backends to modulate per-example influence scores using stability-guided residual thresholds, anomaly gating, and confidence. Experimental results show that SG-OIF achieves SOTA (State-Of-The-Art) on noise-label and out-of-distribution detection tasks across multiple datasets with various corruption. Notably, our approach achieves 91.1\% accuracy in the top 1\% prediction samples on the CIFAR-10 (20\% asym), and gets 99.8\% AUPR score on MNIST, effectively demonstrating that this framework is a practical controller for online influence estimation.