Brain aging involves structural and functional changes and therefore serves as a key biomarker for brain health. Combining structural magnetic resonance imaging (sMRI) and functional magnetic resonance imaging (fMRI) has the potential to improve brain age estimation by leveraging complementary data. However, fMRI data, being noisier than sMRI, complicates multimodal fusion. Traditional fusion methods often introduce more noise than useful information, which can reduce accuracy compared to using sMRI alone. In this paper, we propose a novel multimodal framework for biological brain age estimation, utilizing a sex-aware adversarial variational autoencoder (SA-AVAE). Our framework integrates adversarial and variational learning to effectively disentangle the latent features from both modalities. Specifically, we decompose the latent space into modality-specific codes and shared codes to represent complementary and common information across modalities, respectively. To enhance the disentanglement, we introduce cross-reconstruction and shared-distinct distance ratio loss as regularization terms. Importantly, we incorporate sex information into the learned latent code, enabling the model to capture sex-specific aging patterns for brain age estimation via an integrated regressor module. We evaluate our model using the publicly available OpenBHB dataset, a comprehensive multi-site dataset for brain age estimation. The results from ablation studies and comparisons with state-of-the-art methods demonstrate that our framework outperforms existing approaches and shows significant robustness across various age groups, highlighting its potential for real-time clinical applications in the early detection of neurodegenerative diseases.

This paper introduces a comprehensive framework for the evaluation and validation of generative language models (GLMs), with a focus on Retrieval-Augmented Generation (RAG) systems deployed in high-stakes domains such as banking. GLM evaluation is challenging due to open-ended outputs and subjective quality assessments. Leveraging the structured nature of RAG systems, where generated responses are grounded in a predefined document collection, we propose the Human-Calibrated Automated Testing (HCAT) framework. HCAT integrates a) automated test generation using stratified sampling, b) embedding-based metrics for explainable assessment of functionality, risk and safety attributes, and c) a two-stage calibration approach that aligns machine-generated evaluations with human judgments through probability calibration and conformal prediction. In addition, the framework includes robustness testing to evaluate model performance against adversarial, out-of-distribution, and varied input conditions, as well as targeted weakness identification using marginal and bivariate analysis to pinpoint specific areas for improvement. This human-calibrated, multi-layered evaluation framework offers a scalable, transparent, and interpretable approach to GLM assessment, providing a practical and reliable solution for deploying GLMs in applications where accuracy, transparency, and regulatory compliance are paramount.

Species range maps (SRMs) are essential tools for research and policy-making in ecology, conservation, and environmental management. However, traditional SRMs rely on the availability of environmental covariates and high-quality species location observation data, both of which can be challenging to obtain due to geographic inaccessibility and resource constraints. We propose a novel approach combining millions of citizen science species observations with textual descriptions from Wikipedia, covering habitat preferences and range descriptions for tens of thousands of species. Our framework maps locations, species, and text descriptions into a common space, facilitating the learning of rich spatial covariates at a global scale and enabling zero-shot range estimation from textual descriptions. Evaluated on held-out species, our zero-shot SRMs significantly outperform baselines and match the performance of SRMs obtained using tens of observations. Our approach also acts as a strong prior when combined with observational data, resulting in more accurate range estimation with less data. We present extensive quantitative and qualitative analyses of the learned representations in the context of range estimation and other spatial tasks, demonstrating the effectiveness of our approach.

Clustering and outlier detection are two important tasks in data mining. Outliers frequently interfere with clustering algorithms to determine the similarity between objects, resulting in unreliable clustering results. Currently, only a few clustering algorithms (e.g., DBSCAN) have the ability to detect outliers to eliminate interference. For other clustering algorithms, it is tedious to introduce another outlier detection task to eliminate outliers before each clustering process. Obviously, how to equip more clustering algorithms with outlier detection ability is very meaningful. Although a common strategy allows clustering algorithms to detect outliers based on the distance between objects and clusters, it is contradictory to improving the performance of clustering algorithms on the datasets with outliers. In this paper, we propose a novel outlier detection approach, called ODAR, for clustering. ODAR maps outliers and normal objects into two separated clusters by feature transformation. As a result, any clustering algorithm can detect outliers by identifying clusters. Experiments show that ODAR is robust to diverse datasets. Compared with baseline methods, the clustering algorithms achieve the best on 7 out of 10 datasets with the help of ODAR, with at least 5% improvement in accuracy.

Electrocardiogram (ECG) analysis plays a crucial role in diagnosing cardiovascular diseases, but accurate interpretation of these complex signals remains challenging. This paper introduces a novel multimodal framework(GAF-FusionNet) for ECG classification that integrates time-series analysis with image-based representation using Gramian Angular Fields (GAF). Our approach employs a dual-layer cross-channel split attention module to adaptively fuse temporal and spatial features, enabling nuanced integration of complementary information. We evaluate GAF-FusionNet on three diverse ECG datasets: ECG200, ECG5000, and the MIT-BIH Arrhythmia Database. Results demonstrate significant improvements over state-of-the-art methods, with our model achieving 94.5\%, 96.9\%, and 99.6\% accuracy on the respective datasets. Our code will soon be available at https://github.com/Cross-Innovation-Lab/GAF-FusionNet.git.

Electroencephalogram (EEG) signals play a pivotal role in biomedical research and clinical applications, including epilepsy diagnosis, sleep disorder analysis, and brain-computer interfaces. However, the effective analysis and interpretation of these complex signals often present significant challenges. This paper presents a novel approach that integrates computer graphics techniques with biological signal pattern recognition, specifically using Markov Transfer Fields (MTFs) for EEG time series imaging. The proposed framework (STEAM-EEG) employs the capabilities of MTFs to capture the spatiotemporal dynamics of EEG signals, transforming them into visually informative images. These images are then rendered, visualised, and modelled using state-of-the-art computer graphics techniques, thereby facilitating enhanced data exploration, pattern recognition, and decision-making. The code could be accessed from GitHub.

Simulating and controlling physical systems described by partial differential equations (PDEs) are crucial tasks across science and engineering. Recently, diffusion generative models have emerged as a competitive class of methods for these tasks due to their ability to capture long-term dependencies and model high-dimensional states. However, diffusion models typically struggle with handling system states with abrupt changes and generalizing to higher resolutions. In this work, we propose Wavelet Diffusion Neural Operator (WDNO), a novel PDE simulation and control framework that enhances the handling of these complexities. WDNO comprises two key innovations. Firstly, WDNO performs diffusion-based generative modeling in the wavelet domain for the entire trajectory to handle abrupt changes and long-term dependencies effectively. Secondly, to address the issue of poor generalization across different resolutions, which is one of the fundamental tasks in modeling physical systems, we introduce multi-resolution training. We validate WDNO on five physical systems, including 1D advection equation, three challenging physical systems with abrupt changes (1D Burgers' equation, 1D compressible Navier-Stokes equation and 2D incompressible fluid), and a real-world dataset ERA5, which demonstrates superior performance on both simulation and control tasks over state-of-the-art methods, with significant improvements in long-term and detail prediction accuracy. Remarkably, in the challenging context of the 2D high-dimensional and indirect control task aimed at reducing smoke leakage, WDNO reduces the leakage by 33.2% compared to the second-best baseline.

Despite the excellent real-world predictive performance of modern machine learning (ML) methods, many scientists remain hesitant to discard traditional physical-conceptual (PC) approaches due mainly to their relative interpretability, which contributes to credibility during decision-making. In this context, a currently underexplored aspect of ML is how to develop "minimally-optimal" representations that can facilitate better "insight regarding system functioning". Regardless of how this is achieved, it is arguably true that parsimonious representations better support the advancement of scientific understanding. Our own view is that ML-based modeling of geoscientific systems should be based in the use of computational units that are fundamentally interpretable by design. This paper continues our exploration of how the strengths of ML can be exploited in the service of better understanding via scientific investigation. Here, we use the Mass Conserving Perceptron (MCP) as the fundamental computational unit in a generic network architecture consisting of nodes arranged in series and parallel to explore several generic and important issues related to the use of observational data for constructing input-state-output models of dynamical systems. In the context of lumped catchment modeling, we show that physical interpretability and excellent predictive performance can both be achieved using a relatively parsimonious "distributed-state" multiple-flowpath network with context-dependent gating and "information sharing" across the nodes, suggesting that MCP-based modeling can play a significant role in application of ML to geoscientific investigation.

Big data is transforming scientific progress by enabling the discovery of novel models, enhancing existing frameworks, and facilitating precise uncertainty quantification, while advancements in scientific machine learning complement this by providing powerful tools to solve inverse problems to identify the complex systems where traditional methods falter due to sparse or noisy data. We introduce two innovative neural operator frameworks tailored for discovering hidden physics and identifying unknown system parameters from sparse measurements. The first framework integrates a popular neural operator, DeepONet, and a physics-informed neural network to capture the relationship between sparse data and the underlying physics, enabling the accurate discovery of a family of governing equations. The second framework focuses on system parameter identification, leveraging a DeepONet pre-trained on sparse sensor measurements to initialize a physics-constrained inverse model. Both frameworks excel in handling limited data and preserving physical consistency. Benchmarking on the Burgers' equation and reaction-diffusion system demonstrates state-of-the-art performance, achieving average $L_2$ errors of $\mathcal{O}(10^{-2})$ for hidden physics discovery and absolute errors of $\mathcal{O}(10^{-3})$ for parameter identification. These results underscore the frameworks' robustness, efficiency, and potential for solving complex scientific problems with minimal observational data.

Understanding the effects of quarantine policies in populations with underlying social networks is crucial for public health, yet most causal inference methods fail here due to their assumption of independent individuals. We introduce DeepNetTMLE, a deep-learning-enhanced Targeted Maximum Likelihood Estimation (TMLE) method designed to estimate time-sensitive treatment effects in observational data. DeepNetTMLE mitigates bias from time-varying confounders under general interference by incorporating a temporal module and domain adversarial training to build intervention-invariant representations. This process removes associations between current treatments and historical variables, while the targeting step maintains the bias-variance trade-off, enhancing the reliability of counterfactual predictions. Using simulations of a ``Susceptible-Infected-Recovered'' model with varied quarantine coverages, we show that DeepNetTMLE achieves lower bias and more precise confidence intervals in counterfactual estimates, enabling optimal quarantine recommendations within budget constraints, surpassing state-of-the-art methods.