Regression
Online Statistical Inference of Constrained Stochastic Optimization via Random Scaling
Du, Xinchen, Zhu, Wanrong, Wu, Wei Biao, Na, Sen
Constrained stochastic nonlinear optimization problems have attracted significant attention for their ability to model complex real-world scenarios in physics, economics, and biology. As datasets continue to grow, online inference methods have become crucial for enabling real-time decision-making without the need to store historical data. In this work, we develop an online inference procedure for constrained stochastic optimization by leveraging a method called Sketched Stochastic Sequential Quadratic Programming (SSQP). As a direct generalization of sketched Newton methods, SSQP approximates the objective with a quadratic model and the constraints with a linear model at each step, then applies a sketching solver to inexactly solve the resulting subproblem. Building on this design, we propose a new online inference procedure called random scaling. In particular, we construct a test statistic based on SSQP iterates whose limiting distribution is free of any unknown parameters. Compared to existing online inference procedures, our approach offers two key advantages: (i) it enables the construction of asymptotically valid confidence intervals; and (ii) it is matrix-free, i.e. the computation involves only primal-dual SSQP iterates $(\boldsymbol{x}_t, \boldsymbolฮป_t)$ without requiring any matrix inversions. We validate our theory through numerical experiments on nonlinearly constrained regression problems and demonstrate the superior performance of our random scaling method over existing inference procedures.
Faithful Group Shapley Value
Lee, Kiljae, Liu, Ziqi, Tang, Weijing, Zhang, Yuan
Data Shapley is an important tool for data valuation, which quantifies the contribution of individual data points to machine learning models. In practice, group-level data valuation is desirable when data providers contribute data in batch. However, we identify that existing group-level extensions of Data Shapley are vulnerable to shell company attacks, where strategic group splitting can unfairly inflate valuations. We propose Faithful Group Shapley Value (FGSV) that uniquely defends against such attacks. Building on original mathematical insights, we develop a provably fast and accurate approximation algorithm for computing FGSV. Empirical experiments demonstrate that our algorithm significantly outperforms state-of-the-art methods in computational efficiency and approximation accuracy, while ensuring faithful group-level valuation.
Simultaneous Optimization of Efficiency and Degradation in Tunable HTL-Free Perovskite Solar Cells with MWCNT-Integrated Back Contact Using a Machine Learning-Derived Polynomial Regressor
Malek, Ihtesham Ibn, Imtiaz, Hafiz, Subrina, Samia
Perovskite solar cells (PSCs) without a hole transport layer (HTL) offer a cost-effective and stable alternative to conventional architectures, utilizing only an absorber layer and an electron transport layer (ETL). This study presents a machine learning (ML)-driven framework to optimize the efficiency and stability of HTL-free PSCs by integrating experimental validation with numerical simulations. Excellent agreement is achieved between a fabricated device and its simulated counterpart at a molar fraction \( x = 68.7\% \) in \(\mathrm{MAPb}_{1-x}\mathrm{Sb}_{2x/3}\mathrm{I}_3\), where MA is methylammonium. A dataset of 1650 samples is generated by varying molar fraction, absorber defect density, thickness, and ETL doping, with corresponding efficiency and 50-hour degradation as targets. A fourth-degree polynomial regressor (PR-4) shows the best performance, achieving RMSEs of 0.0179 and 0.0117, and \( R^2 \) scores of 1 and 0.999 for efficiency and degradation, respectively. The derived model generalizes beyond the training range and is used in an L-BFGS-B optimization algorithm with a weighted objective function to maximize efficiency and minimize degradation. This improves device efficiency from 13.7\% to 16.84\% and reduces degradation from 6.61\% to 2.39\% over 1000 hours. Finally, the dataset is labeled into superior and inferior classes, and a multilayer perceptron (MLP) classifier achieves 100\% accuracy, successfully identifying optimal configurations.
From What to How: Attributing CLIP's Latent Components Reveals Unexpected Semantic Reliance
Dreyer, Maximilian, Hufe, Lorenz, Berend, Jim, Wiegand, Thomas, Lapuschkin, Sebastian, Samek, Wojciech
Transformer-based CLIP models are widely used for text-image probing and feature extraction, making it relevant to understand the internal mechanisms behind their predictions. While recent works show that Sparse Autoencoders (SAEs) yield interpretable latent components, they focus on what these encode and miss how they drive predictions. We introduce a scalable framework that reveals what latent components activate for, how they align with expected semantics, and how important they are to predictions. To achieve this, we adapt attribution patching for instance-wise component attributions in CLIP and highlight key faithfulness limitations of the widely used Logit Lens technique. By combining attributions with semantic alignment scores, we can automatically uncover reliance on components that encode semantically unexpected or spurious concepts. Applied across multiple CLIP variants, our method uncovers hundreds of surprising components linked to polysemous words, compound nouns, visual typography and dataset artifacts. While text embeddings remain prone to semantic ambiguity, they are more robust to spurious correlations compared to linear classifiers trained on image embeddings. A case study on skin lesion detection highlights how such classifiers can amplify hidden shortcuts, underscoring the need for holistic, mechanistic interpretability. We provide code at https://github.com/maxdreyer/attributing-clip.
Development of Interactive Nomograms for Predicting Short-Term Survival in ICU Patients with Aplastic Anemia
Fan, Junyi, Chen, Shuheng, Sun, Li, Si, Yong, Pishgar, Elham, Alaei, Kamiar, Placencia, Greg, Pishgar, Maryam
Aplastic anemia is a rare, life-threatening hematologic disorder characterized by pancytopenia and bone marrow failure. ICU admission in these patients often signals critical complications or disease progression, making early risk assessment crucial for clinical decision-making and resource allocation. In this study, we used the MIMIC-IV database to identify ICU patients diagnosed with aplastic anemia and extracted clinical features from five domains: demographics, synthetic indicators, laboratory results, comorbidities, and medications. Over 400 variables were reduced to seven key predictors through machine learning-based feature selection. Logistic regression and Cox regression models were constructed to predict 7-, 14-, and 28-day mortality, and their performance was evaluated using AUROC. External validation was conducted using the eICU Collaborative Research Database to assess model generalizability. Among 1,662 included patients, the logistic regression model demonstrated superior performance, with AUROC values of 0.8227, 0.8311, and 0.8298 for 7-, 14-, and 28-day mortality, respectively, compared to the Cox model. External validation yielded AUROCs of 0.7391, 0.7119, and 0.7093. Interactive nomograms were developed based on the logistic regression model to visually estimate individual patient risk. In conclusion, we identified a concise set of seven predictors, led by APS III, to build validated and generalizable nomograms that accurately estimate short-term mortality in ICU patients with aplastic anemia. These tools may aid clinicians in personalized risk stratification and decision-making at the point of care.
Graph Neural Networks for Knowledge Enhanced Visual Representation of Paintings
Efthymiou, Athanasios, Rudinac, Stevan, Kackovic, Monika, Worring, Marcel, Wijnberg, Nachoem
We propose ArtSAGENet, a novel multimodal architecture that integrates Graph Neural Networks (GNNs) and Convolutional Neural Networks (CNNs), to jointly learn visual and semantic-based artistic representations. First, we illustrate the significant advantages of multi-task learning for fine art analysis and argue that it is conceptually a much more appropriate setting in the fine art domain than the single-task alternatives. We further demonstrate that several GNN architectures can outperform strong CNN baselines in a range of fine art analysis tasks, such as style classification, artist attribution, creation period estimation, and tag prediction, while training them requires an order of magnitude less computational time and only a small amount of labeled data. Finally, through extensive experimentation we show that our proposed ArtSAGENet captures and encodes valuable relational dependencies between the artists and the artworks, surpassing the performance of traditional methods that rely solely on the analysis of visual content. Our findings underline a great potential of integrating visual content and semantics for fine art analysis and curation.
Towards a Quantum-classical Augmented Network
Jha, Nitin, Parakh, Abhishek, Subramaniam, Mahadevan
In the past decade, several small-scale quantum key distribution networks have been established. However, the deployment of large-scale quantum networks depends on the development of quantum repeaters, quantum channels, quantum memories, and quantum network protocols. To improve the security of existing networks and adopt currently feasible quantum technologies, the next step is to augment classical networks with quantum devices, properties, and phenomena. To achieve this, we propose a change in the structure of the HTTP protocol such that it can carry both quantum and classical payload. This work lays the foundation for dividing one single network packet into classical and quantum payloads depending on the privacy needs. We implement logistic regression, CNN, LSTM, and BiLSTM models to classify the privacy label for outgoing communications. This enables reduced utilization of quantum resources allowing for a more efficient secure quantum network design. Experimental results using the proposed methods are presented.
A fast sound power prediction tool for genset noise using machine learning
Pargal, Saurabh, Sane, Abhijit A.
This paper investigates the application of machine learning regression algorithms Kernel Ridge Regression (KRR), Huber Regressor (HR), and Gaussian Process Regression (GPR) for predicting sound power levels of gensets, offering significant value for marketing and sales teams during the early bidding process. When engine sizes and genset enclosure dimensions are tentative, and measured noise data is unavailable, these algorithms enable reliable noise level estimation for unbuilt gensets. The study utilizes high fidelity datasets from over 100 experiments conducted at Cummins Acoustics Technology Center (ATC) in a hemi-anechoic chamber, adhering to ISO 3744 standards. By using readily available information from the bidding and initial design stages, KRR predicts sound power with an average accuracy of within 5 dBA. While HR and GPR show slightly higher prediction errors, all models effectively capture the overall noise trends across various genset configurations. These findings present a promising method for early-stage noise estimation in genset design.
On the Computational Complexity of Private High-dimensional Model Selection
We consider the problem of model selection in a high-dimensional sparse linear regression model under privacy constraints. We propose a differentially private (DP) best subset selection method with strong statistical utility properties by adopting the well-known exponential mechanism for selecting the best model. To achieve computational expediency, we propose an efficient Metropolis-Hastings algorithm and under certain regularity conditions, we establish that it enjoys polynomial mixing time to its stationary distribution. As a result, we also establish both approximate differential privacy and statistical utility for the estimates of the mixed Metropolis-Hastings chain. Finally, we perform some illustrative experiments on simulated data showing that our algorithm can quickly identify active features under reasonable privacy budget constraints.
Optimal Excess Risk Bounds for Empirical Risk Minimization on p -Norm Linear Regression
We study the performance of empirical risk minimization on the p -norm linear regression problem for p \in (1, \infty) . We show that, in the realizable case, under no moment assumptions, and up to a distribution-dependent constant, O(d) samples are enough to exactly recover the target. Otherwise, for p \in [2, \infty), and under weak moment assumptions on the target and the covariates, we prove a high probability excess risk bound on the empirical risk minimizer whose leading term matches, up to a constant that depends only on p, the asymptotically exact rate. We extend this result to the case p \in (1, 2) under mild assumptions that guarantee the existence of the Hessian of the risk at its minimizer.