Graph machine learning has led to a significant increase in the capabilities of models that learn on arbitrary graph-structured data and has been applied to molecules, social networks, recommendation systems, and transportation, among other domains. Data in multi-tabular relational databases can also be constructed as 'relational entity graphs' for Relational Deep Learning (RDL) - a new blueprint that enables end-to-end representation learning without traditional feature engineering. Compared to arbitrary graph-structured data, relational entity graphs have key properties: (i) their structure is defined by primary-foreign key relationships between entities in different tables, (ii) the structural connectivity is a function of the relational schema defining a database, and (iii) the graph connectivity is temporal and heterogeneous in nature. In this paper, we provide a comprehensive review of RDL by first introducing the representation of relational databases as relational entity graphs, and then reviewing public benchmark datasets that have been used to develop and evaluate recent GNN-based RDL models. We discuss key challenges including large-scale multi-table integration and the complexities of modeling temporal dynamics and heterogeneous data, while also surveying foundational neural network methods and recent architectural advances specialized for relational entity graphs. Finally, we explore opportunities to unify these distinct modeling challenges, highlighting how RDL converges multiple sub-fields in graph machine learning towards the design of foundation models that can transform the processing of relational data.
Time series forecasting underpins vital decision-making across various sectors, yet raw predictions from sophisticated models often harbor systematic errors and biases. We examine the Forecast-Then-Optimize (FTO) framework, pioneering its systematic synopsis. Unlike conventional Predict-Then-Optimize (PTO) methods, FTO explicitly refines forecasts through optimization techniques such as ensemble methods, meta-learners, and uncertainty adjustments. Furthermore, deep learning and large language models have established superiority over traditional parametric forecasting models for most enterprise applications. This paper surveys significant advancements from 2016 to 2025, analyzing mainstream deep learning FTO architectures. Focusing on real-world applications in operations management, we demonstrate FTO's crucial role in enhancing predictive accuracy, robustness, and decision efficacy. Our study establishes foundational guidelines for future forecasting methodologies, bridging theory and operational practicality.
The Deep Learning Visual Space Simulation System (DLVS3) introduces a novel synthetic dataset generator and a simulation pipeline specifically designed for training and testing satellite pose estimation solutions. This work introduces the DLVS3-HST-V1 dataset, which focuses on the Hubble Space Telescope (HST) as a complex, articulated target. The dataset is generated using advanced real-time and offline rendering technologies, integrating high-fidelity 3D models, dynamic lighting (including secondary sources like Earth reflection), and physically accurate material properties. The pipeline supports the creation of large-scale, richly annotated image sets with ground-truth 6-DoF pose and keypoint data, semantic segmentation, depth, and normal maps. This enables the training and benchmarking of deep learning-based pose estimation solutions under realistic, diverse, and challenging visual conditions. The paper details the dataset generation process, the simulation architecture, and the integration with deep learning frameworks, and positions DLVS3 as a significant step toward closing the domain gap for autonomous spacecraft operations in proximity and servicing missions.
This research presents the development of an Artificial Intelligence (AI) - driven crop disease detection system designed to assist farmers in rural areas with limited resources. We aim to compare different deep learning models for a comparative analysis, focusing on their efficacy in transfer learning. By leveraging deep learning models, including EfficientNet, ResNet101, MobileNetV2, and our custom CNN, which achieved a validation accuracy of 95.76%, the system effectively classifies plant diseases. This research demonstrates the potential of transfer learning in reshaping agricultural practices, improving crop health management, and supporting sustainable farming in rural environments.
Radiotherapy (RT) is a critical cancer treatment, with volumetric modulated arc therapy (VMAT) being a commonly used technique that enhances dose conformity by dynamically adjusting multileaf collimator (MLC) positions and monitor units (MU) throughout gantry rotation. Adaptive radiotherapy requires frequent modifications to treatment plans to account for anatomical variations, necessitating time-efficient solutions. Deep learning offers a promising solution to automate this process. To this end, we propose a two-stage, physics-guided deep learning pipeline for radiotherapy planning. In the first stage, our network is trained with direct supervision on treatment plan parameters, consisting of MLC and MU values. In the second stage, we incorporate an additional supervision signal derived from the predicted 3D dose distribution, integrating physics-based guidance into the training process. We train and evaluate our approach on 133 prostate cancer patients treated with a uniform 2-arc VMAT protocol delivering a dose of 62 Gy to the planning target volume (PTV). Our results demonstrate that the proposed approach, implemented using both 3D U-Net and UNETR architectures, consistently produces treatment plans that closely match clinical ground truths. Our method achieves a mean difference of D95% = 0.42 +/- 1.83 Gy and V95% = -0.22 +/- 1.87% at the PTV while generating dose distributions that reduce radiation exposure to organs at risk. These findings highlight the potential of physics-guided deep learning in RT planning.
Real-time identification and quantification of greenhouse-gas emissions under transient atmospheric conditions is a critical challenge in environmental monitoring. We introduce a spatio-temporal inversion framework that embeds a deep-learning surrogate of computational fluid dynamics (CFD) within a sequential Monte Carlo algorithm to perform Bayesian inference of both emission rate and source location in dynamic flow fields. By substituting costly numerical solvers with a multilayer perceptron trained on high-fidelity CFD outputs, our surrogate captures spatial heterogeneity and temporal evolution of gas dispersion, while delivering near-real-time predictions. Validation on the Chilbolton methane release dataset demonstrates comparable accuracy to full CFD solvers and Gaussian plume models, yet achieves orders-of-magnitude faster runtimes. Further experiments under simulated obstructed-flow scenarios confirm robustness in complex environments. This work reconciles physical fidelity with computational feasibility, offering a scalable solution for industrial emissions monitoring and other time-sensitive spatio-temporal inversion tasks in environmental and scientific modeling.
Storm surge is one of the deadliest hazards posed by tropical cyclones (TCs), yet assessing its current and future risk is difficult due to the phenomenon's rarity and physical complexity. Recent advances in artificial intelligence applications to natural hazard modeling suggest a new avenue for addressing this problem. We utilize a deep learning storm surge model to efficiently estimate coastal surge risk in the United States from 900,000 synthetic TC events, accounting for projected changes in TC behavior and sea levels. The derived historical 100-year surge (the event with a 1% yearly exceedance probability) agrees well with historical observations and other modeling techniques. When coupled with an inundation model, we find that heightened TC intensities and sea levels by the end of the century result in a 50% increase in population at risk. Key findings include markedly heightened risk in Florida, and critical thresholds identified in Georgia and South Carolina.
Over the last decade, as we rely more on deep learning technologies to make critical decisions, concerns regarding their safety, reliability and interpretability have emerged. We introduce a novel Neural Argumentative Learning (NAL) architecture that integrates Assumption-Based Argumentation (ABA) with deep learning for image analysis. Our architecture consists of neural and symbolic components. The former segments and encodes images into facts using object-centric learning, while the latter applies ABA learning to develop ABA frameworks enabling predictions with images. Experiments on synthetic data show that the NAL architecture can be competitive with a state-of-the-art alternative.
Background: Accurate lesion segmentation is critical for multiple sclerosis (MS) diagnosis, yet current deep learning approaches face robustness challenges. Aim: This study improves MS lesion segmentation by combining data fusion and deep learning techniques. Materials and Methods: We suggested novel radiomic features (concentration rate and R\'enyi entropy) to characterize different MS lesion types and fused these with raw imaging data. The study integrated radiomic features with imaging data through a ResNeXt-UNet architecture and attention-augmented U-Net architecture. Our approach was evaluated on scans from 46 patients (1102 slices), comparing performance before and after data fusion. Results: The radiomics-enhanced ResNeXt-UNet demonstrated high segmentation accuracy, achieving significant improvements in precision and sensitivity over the MRI-only baseline and a Dice score of 0.774$\pm$0.05; p<0.001 according to Bonferroni-adjusted Wilcoxon signed-rank tests. The radiomics-enhanced attention-augmented U-Net model showed a greater model stability evidenced by reduced performance variability (SDD = 0.18 $\pm$ 0.09 vs. 0.21 $\pm$ 0.06; p=0.03) and smoother validation curves with radiomics integration. Conclusion: These results validate our hypothesis that fusing radiomics with raw imaging data boosts segmentation performance and stability in state-of-the-art models.
This paper presents a novel non-invasive object classification approach using acoustic scattering, demonstrated through a case study on hair assessment. When an incident wave interacts with an object, it generates a scattered acoustic field encoding structural and material properties. By emitting acoustic stimuli and capturing the scattered signals from head-with-hair-sample objects, we classify hair type and moisture using AI-driven, deep-learning-based sound classification. We benchmark comprehensive methods, including (i) fully supervised deep learning, (ii) embedding-based classification, (iii) supervised foundation model fine-tuning, and (iv) self-supervised model fine-tuning. Our best strategy achieves nearly 90% classification accuracy by fine-tuning all parameters of a self-supervised model. These results highlight acoustic scattering as a privacy-preserving, non-contact alternative to visual classification, opening huge potential for applications in various industries.
Future wireless multiple-input multiple-output (MIMO) systems will integrate both sub-6 GHz and millimeter wave (mmWave) frequency bands to meet the growing demands for high data rates. MIMO link establishment typically requires accurate channel estimation, which is particularly challenging at mmWave frequencies due to the low signal-to-noise ratio (SNR). In this paper, we propose two novel deep learning-based methods for estimating mmWave MIMO channels by leveraging out-of-band information from the sub-6 GHz band. The first method employs a convolutional neural network (CNN), while the second method utilizes a UNet architecture. We compare these proposed methods against deep-learning methods that rely solely on in-band information and with other state-of-the-art out-of-band aided methods. Simulation results show that our proposed out-of-band aided deep-learning methods outperform existing alternatives in terms of achievable spectral efficiency.
Density Functional Theory (DFT) is the most widely used electronic structure method for predicting the properties of molecules and materials. Although DFT is, in principle, an exact reformulation of the Schr\"odinger equation, practical applications rely on approximations to the unknown exchange-correlation (XC) functional. Most existing XC functionals are constructed using a limited set of increasingly complex, hand-crafted features that improve accuracy at the expense of computational efficiency. Yet, no current approximation achieves the accuracy and generality for predictive modeling of laboratory experiments at chemical accuracy -- typically defined as errors below 1 kcal/mol. In this work, we present Skala, a modern deep learning-based XC functional that bypasses expensive hand-designed features by learning representations directly from data. Skala achieves chemical accuracy for atomization energies of small molecules while retaining the computational efficiency typical of semi-local DFT. This performance is enabled by training on an unprecedented volume of high-accuracy reference data generated using computationally intensive wavefunction-based methods. Notably, Skala systematically improves with additional training data covering diverse chemistry. By incorporating a modest amount of additional high-accuracy data tailored to chemistry beyond atomization energies, Skala achieves accuracy competitive with the best-performing hybrid functionals across general main group chemistry, at the cost of semi-local DFT. As the training dataset continues to expand, Skala is poised to further enhance the predictive power of first-principles simulations.
Accurate weather forecasts are essential for supporting a wide range of activities and decision-making processes, as well as mitigating the impacts of adverse weather events. While traditional numerical weather prediction (NWP) remains the cornerstone of operational forecasting, machine learning is emerging as a powerful alternative for fast, flexible, and scalable predictions. We introduce PeakWeather, a high-quality dataset of surface weather observations collected every 10 minutes over more than 8 years from the ground stations of the Federal Office of Meteorology and Climatology MeteoSwiss's measurement network. The dataset includes a diverse set of meteorological variables from 302 station locations distributed across Switzerland's complex topography and is complemented with topographical indices derived from digital height models for context. Ensemble forecasts from the currently operational high-resolution NWP model are provided as a baseline forecast against which to evaluate new approaches. The dataset's richness supports a broad spectrum of spatiotemporal tasks, including time series forecasting at various scales, graph structure learning, imputation, and virtual sensing. As such, PeakWeather serves as a real-world benchmark to advance both foundational machine learning research, meteorology, and sensor-based applications.
This study evaluates a smartphone-based, deep-learning eye-tracking algorithm by comparing its performance against a commercial infrared-based eye tracker, the Tobii Pro Nano. The aim is to investigate the feasibility of appearance-based gaze estimation under realistic mobile usage conditions. Key sensitivity factors, including age, gender, vision correction, lighting conditions, device type, and head position, were systematically analysed. The appearance-based algorithm integrates a lightweight convolutional neural network (MobileNet-V3) with a recurrent structure (Long Short-Term Memory) to predict gaze coordinates from grayscale facial images. Gaze data were collected from 51 participants using dynamic visual stimuli, and accuracy was measured using Euclidean distance. The deep learning model produced a mean error of 17.76 mm, compared to 16.53 mm for the Tobii Pro Nano. While overall accuracy differences were small, the deep learning-based method was more sensitive to factors such as lighting, vision correction, and age, with higher failure rates observed under low-light conditions among participants using glasses and in older age groups. Device-specific and positional factors also influenced tracking performance. These results highlight the potential of appearance-based approaches for mobile eye tracking and offer a reference framework for evaluating gaze estimation systems across varied usage conditions.
Dynamic positron emission tomography (PET) imaging combined with radiotracer kinetic modeling is a powerful technique for visualizing biological processes in the brain, offering valuable insights into brain functions and neurological disorders such as Alzheimer's and Parkinson's diseases. Accurate kinetic modeling relies heavily on the use of a metabolite-corrected arterial input function (AIF), which typically requires invasive and labor-intensive arterial blood sampling. While alternative non-invasive approaches have been proposed, they often compromise accuracy or still necessitate at least one invasive blood sampling. In this study, we present the deep learning-derived arterial input function (DLIF), a deep learning framework capable of estimating a metabolite-corrected AIF directly from dynamic PET image sequences without any blood sampling. We validated DLIF using existing dynamic PET patient data. We compared DLIF and resulting parametric maps against ground truth measurements. Our evaluation shows that DLIF achieves accurate and robust AIF estimation. By leveraging deep learning's ability to capture complex temporal dynamics and incorporating prior knowledge of typical AIF shapes through basis functions, DLIF provides a rapid, accurate, and entirely non-invasive alternative to traditional AIF measurement methods.
Spiking Neural Networks (SNNs) event-driven nature enables efficient encoding of spatial and temporal features, making them suitable for dynamic time-dependent data processing. Despite their biological relevance, SNNs have seen limited application in medical image recognition due to difficulties in matching the performance of conventional deep learning models. To address this, we propose a novel breast cancer classification approach that combines SNNs with Lempel-Ziv Complexity (LZC) a computationally efficient measure of sequence complexity. LZC enhances the interpretability and accuracy of spike-based models by capturing structural patterns in neural activity. Our study explores both biophysical Leaky Integrate-and-Fire (LIF) and probabilistic Levy-Baxter (LB) neuron models under supervised, unsupervised, and hybrid learning regimes. Experiments were conducted on the Breast Cancer Wisconsin dataset using numerical features derived from medical imaging. LB-based models consistently exceeded 90.00% accuracy, while LIF-based models reached over 85.00%. The highest accuracy of 98.25% was achieved using an ANN-to-SNN conversion method applied to both neuron models comparable to traditional deep learning with back-propagation, but at up to 100 times lower computational cost. This hybrid approach merges deep learning performance with the efficiency and plausibility of SNNs, yielding top results at lower computational cost. We hypothesize that the synergy between temporal-coding, spike-sparsity, and LZC-driven complexity analysis enables more-efficient feature extraction. Our findings demonstrate that SNNs combined with LZC offer promising, biologically plausible alternative to conventional neural networks in medical diagnostics, particularly for resource-constrained or real-time systems.
Correcting motion artifacts in MRI is important, as they can hinder accurate diagnosis. However, evaluating deep learning-based and classical motion correction methods remains fundamentally difficult due to the lack of accessible ground-truth target data. To address this challenge, we study three evaluation approaches: real-world evaluation based on reference scans, simulated motion, and reference-free evaluation, each with its merits and shortcomings. To enable evaluation with real-world motion artifacts, we release PMoC3D, a dataset consisting of unprocessed Paired Motion-Corrupted 3D brain MRI data. To advance evaluation quality, we introduce MoMRISim, a feature-space metric trained for evaluating motion reconstructions. We assess each evaluation approach and find real-world evaluation together with MoMRISim, while not perfect, to be most reliable. Evaluation based on simulated motion systematically exaggerates algorithm performance, and reference-free evaluation overrates oversmoothed deep learning outputs.
While deep learning models have demonstrated robust performance in speaker recognition tasks, they primarily rely on low-level audio features learned empirically from spectrograms or raw waveforms. However, prior work has indicated that idiosyncratic speaking styles heavily influence the temporal structure of linguistic units in speech signals (rhythm). This makes rhythm a strong yet largely overlooked candidate for a speech identity feature. In this paper, we test this hypothesis by applying deep learning methods to perform text-independent speaker identification from rhythm features. Our findings support the usefulness of rhythmic information for speaker recognition tasks but also suggest that high intra-subject variability in ad-hoc speech can degrade its effectiveness.
This paper introduces a novel multivariate volatility modeling framework, named Long Short-Term Memory enhanced BEKK (LSTM-BEKK), that integrates deep learning into multivariate GARCH processes. By combining the flexibility of recurrent neural networks with the econometric structure of BEKK models, our approach is designed to better capture nonlinear, dynamic, and high-dimensional dependence structures in financial return data. The proposed model addresses key limitations of traditional multivariate GARCH-based methods, particularly in capturing persistent volatility clustering and asymmetric co-movement across assets. Leveraging the data-driven nature of LSTMs, the framework adapts effectively to time-varying market conditions, offering improved robustness and forecasting performance. Empirical results across multiple equity markets confirm that the LSTM-BEKK model achieves superior performance in terms of out-of-sample portfolio risk forecast, while maintaining the interpretability from the BEKK models. These findings highlight the potential of hybrid econometric-deep learning models in advancing financial risk management and multivariate volatility forecasting.
Subsurface property neural network reparameterized full waveform inversion (FWI) has emerged as an effective unsupervised learning framework, which can invert stably with an inaccurate starting model. It updates the trainable neural network parameters instead of fine-tuning on the subsurface model directly. There are primarily two ways to embed the prior knowledge of the initial model into neural networks, that is, pretraining and denormalization. Pretraining first regulates the neural networks' parameters by fitting the initial velocity model; Denormalization directly adds the outputs of the network into the initial models without pretraining. In this letter, we systematically investigate the influence of the two ways of initial model incorporation for the neural network reparameterized FWI. We demonstrate that pretraining requires inverting the model perturbation based on a constant velocity value (mean) with a two-stage implementation. It leads to a complex workflow and inconsistency of objective functions in the two-stage process, causing the network parameters to become inactive and lose plasticity. Experimental results demonstrate that denormalization can simplify workflows, accelerate convergence, and enhance inversion accuracy compared with pretraining.