Danny D'Agostino

Danny D'Agostino, Ilija Ilievski, Christine Annette Shoemaker

Providing a model that achieves a strong predictive performance and is simultaneously interpretable by humans is one of the most difficult challenges in machine learning research due to the conflicting nature of these two objectives. To address this challenge, we propose a modification of the radial basis function neural network model by equipping its Gaussian kernel with a learnable precision matrix. We show that precious information is contained in the spectrum of the precision matrix that can be extracted once the training of the model is completed. In particular, the eigenvectors explain the directions of maximum sensitivity of the model revealing the active subspace and suggesting potential applications for supervised dimensionality reduction. At the same time, the eigenvectors highlight the relationship in terms of absolute variation between the input and the latent variables, thereby allowing us to extract a ranking of the input variables based on their importance to the prediction task enhancing the model interpretability. We conducted numerical experiments for regression, classification, and feature selection tasks, comparing our model against popular machine learning models, the state-of-the-art deep learning-based embedding feature selection techniques, and a transformer model for tabular data. Our results demonstrate that the proposed model does not only yield an attractive prediction performance compared to the competitors but also provides meaningful and interpretable results that potentially could assist the decision-making process in real-world applications. A PyTorch implementation of the model is available on GitHub at the following link. https://github.com/dannyzx/Gaussian-RBFNN

Danny D'Agostino

In this work, we present a new deterministic partition-based global optimization algorithm, HALO (Hybrid Adaptive Lipschitzian Optimization), which uses estimates of the local Lipschitz constants associated with different sub-regions of the objective function's domain to compute lower bounds and guide the search toward global minimizers. These estimates are obtained by adaptively balancing the global and local information collected from the algorithm, based on absolute slopes. HALO is hyperparameter-free, eliminating the need for manual tuning, and it highlights the most important variables to help interpret the optimization problem. We also introduce a coupling strategy with local optimization algorithms, both gradient-based and derivative-free, to accelerate convergence. We compare HALO with popular global optimization algorithms on hundreds of test functions. The numerical results are very promising and demonstrate that HALO can expand our arsenal of efficient procedures of efficient procedures for challenging real-world black-box optimization problems. The Python code of HALO is publicly available on GitHub. https://github.com/dannyzx/HALO

Siqi Li, Di Miao, Qiming Wu et al.

Federated learning (FL) has shown promising potential in safeguarding data privacy in healthcare collaborations. While the term "FL" was originally coined by the engineering community, the statistical field has also explored similar privacy-preserving algorithms. Statistical FL algorithms, however, remain considerably less recognized than their engineering counterparts. Our goal was to bridge the gap by presenting the first comprehensive comparison of FL frameworks from both engineering and statistical domains. We evaluated five FL frameworks using both simulated and real-world data. The results indicate that statistical FL algorithms yield less biased point estimates for model coefficients and offer convenient confidence interval estimations. In contrast, engineering-based methods tend to generate more accurate predictions, sometimes surpassing central pooled and statistical FL models. This study underscores the relative strengths and weaknesses of both types of methods, emphasizing the need for increased awareness and their integration in future FL applications.

Madhurima Panja, Danny D'Agostino, Huitao Li et al.

The increasing adoption of data-driven decision-making in public health has established epidemic forecasting as a critical area of research. Recent advances in multivariate forecasting models better capture complex temporal dependencies than conventional univariate approaches, which model individual series independently. Despite this potential, the development of robust epidemic forecasting methods is constrained by the lack of high-quality benchmarks comprising diverse multivariate datasets across infectious diseases and geographical regions. To address this gap, we present EpiCastBench, a large-scale benchmarking framework featuring 40 curated (correlated) multivariate epidemic datasets. These publicly available datasets span a wide range of infectious diseases and exhibit diverse characteristics in terms of temporal granularity, series length, and sparsity. We analyze these datasets to identify their global features and structural patterns. To ensure reproducibility and fair comparison, we establish standardized evaluation settings, including a unified forecasting horizon, consistent preprocessing pipelines, diverse performance metrics, and statistical significance testing. By leveraging this framework, we conduct a comprehensive evaluation of 15 multivariate forecasting models spanning statistical baselines to state-of-the-art deep learning and foundation models. All datasets and code are publicly available on Kaggle (https://www.kaggle.com/datasets/aimltsf/epicastbench) and GitHub (https://github.com/aimltsf/EpiCastBench).

Siqi Li, Xin Li, Kunyu Yu et al.

Clinical and biomedical research in low-resource settings often faces significant challenges due to the need for high-quality data with sufficient sample sizes to construct effective models. These constraints hinder robust model training and prompt researchers to seek methods for leveraging existing knowledge from related studies to support new research efforts. Transfer learning (TL), a machine learning technique, emerges as a powerful solution by utilizing knowledge from pre-trained models to enhance the performance of new models, offering promise across various healthcare domains. Despite its conceptual origins in the 1990s, the application of TL in medical research has remained limited, especially beyond image analysis. In our review of TL applications in structured clinical and biomedical data, we screened 3,515 papers, with 55 meeting the inclusion criteria. Among these, only 2% (one out of 55) utilized external studies, and 7% (four out of 55) addressed scenarios involving multi-site collaborations with privacy constraints. To achieve actionable TL with structured medical data while addressing regional disparities, inequality, and privacy constraints in healthcare research, we advocate for the careful identification of appropriate source data and models, the selection of suitable TL frameworks, and the validation of TL models with proper baselines.

Danny D'Agostino

Our work presents a novel approach to shape optimization, with the twofold objective to improve the efficiency of global optimization algorithms while promoting the generation of high-quality designs during the optimization process free of geometrical anomalies. This is accomplished by reducing the number of the original design variables defining a new reduced subspace where the geometrical variance is maximized and modeling the underlying generative process of the data via probabilistic linear latent variable models such as factor analysis and probabilistic principal component analysis. We show that the data follows approximately a Gaussian distribution when the shape modification method is linear and the design variables are sampled uniformly at random, due to the direct application of the central limit theorem. The degree of anomalousness is measured in terms of Mahalanobis distance, and the paper demonstrates that abnormal designs tend to exhibit a high value of this metric. This enables the definition of a new optimization model where anomalous geometries are penalized and consequently avoided during the optimization loop. The procedure is demonstrated for hull shape optimization of the DTMB 5415 model, extensively used as an international benchmark for shape optimization problems. The global optimization routine is carried out using Bayesian optimization and the DIRECT algorithm. From the numerical results, the new framework improves the convergence of global optimization algorithms, while only designs with high-quality geometrical features are generated through the optimization routine thereby avoiding the wastage of precious computationally expensive simulations.

Danny D'Agostino, Andrea Serani, Frederick Stern et al.

The prediction capability of recurrent-type neural networks is investigated for real-time short-term prediction (nowcasting) of ship motions in high sea state. Specifically, the performance of recurrent neural networks, long-short term memory, and gated recurrent units models are assessed and compared using a data set coming from computational fluid dynamics simulations of a self-propelled destroyer-type vessel in stern-quartering sea state 7. Time series of incident wave, ship motions, rudder angle, as well as immersion probes, are used as variables for a nowcasting problem. The objective is to obtain about 20 s ahead prediction. Overall, the three methods provide promising and comparable results.