Predicting microporosity and permeability in clastic reservoirs is a challenge in reservoir quality assessment, especially in formations where direct measurements are difficult or expensive. These reservoir properties are fundamental in determining a reser voir's capacity for fluid storage and transmission, yet conventional methods for evaluating them, such as Mercury Injection Capillary Pressure (MICP) and Scanning Electron Microscopy (SEM), are resource - intensive. The aim of this study is to develop a cost - effective machine learning model to predict complex reservoir properties using readily available field data and basic laboratory analyses. A Random Forest classifier was employed, utilizing key geological parameters such as porosity, grain size distri bution, and spectral gamma - ray (SGR) measurements. An uncertainty analysis was applied to account for natural variability, expanding the dataset, and enhancing the model's robustness. The model achieved a high level of accuracy in predicting microporosity (93%) and permeability levels (88%). By using easily obtainable data, this model reduces the reliance on expensive laboratory methods, making it a valuable tool for early - stage exploration, especially in remote or offshore environments. The integration of machine learning with uncertainty analysis provides a reliable and cost - effective approach for evaluating key reservoir properties in siliciclastic formations. This model offers a practical solution to improve reservoir quality assessments, enabling more i nformed decision - making and optimizing exploration efforts.

Accurate modeling of fluid dynamics around complex geometries is critical for applications such as aerodynamic optimization and biomedical device design. While advancements in numerical methods and high-performance computing have improved simulation capabilities, the computational cost of high-fidelity 3D flow simulations remains a significant challenge. Scientific machine learning (SciML) offers an efficient alternative, enabling rapid and reliable flow predictions. In this study, we evaluate Deep Operator Networks (DeepONet) and Geometric-DeepONet, a variant that incorporates geometry information via signed distance functions (SDFs), on steady-state 3D flow over complex objects. Our dataset consists of 1,000 high-fidelity simulations spanning Reynolds numbers from 10 to 1,000, enabling comprehensive training and evaluation across a range of flow regimes. To assess model generalization, we test our models on a random and extrapolatory train-test splitting. Additionally, we explore a derivative-informed training strategy that augments standard loss functions with velocity gradient penalties and incompressibility constraints, improving physics consistency in 3D flow prediction. Our results show that Geometric-DeepONet improves boundary-layer accuracy by up to 32% compared to standard DeepONet. Moreover, incorporating derivative constraints enhances gradient accuracy by 25% in interpolation tasks and up to 45% in extrapolatory test scenarios, suggesting significant improvement in generalization capabilities to unseen 3D Reynolds numbers.

Enhancing the reasoning capabilities of large language models (LLMs), particularly for complex tasks requiring multi-step logical deductions, remains a significant challenge. Traditional inference time scaling methods utilize scalar reward signals from process reward models to evaluate candidate reasoning steps, but these scalar rewards lack the nuanced qualitative information essential for understanding and justifying each step. In this paper, we propose a novel inference-time scaling approach -- stepwise natural language self-critique (PANEL), which employs self-generated natural language critiques as feedback to guide the step-level search process. By generating rich, human-readable critiques for each candidate reasoning step, PANEL retains essential qualitative information, facilitating better-informed decision-making during inference. This approach bypasses the need for task-specific verifiers and the associated training overhead, making it broadly applicable across diverse tasks. Experimental results on challenging reasoning benchmarks, including AIME and GPQA, demonstrate that PANEL significantly enhances reasoning performance, outperforming traditional scalar reward-based methods. Our code is available at https://github.com/puddingyeah/PANEL to support and encourage future research in this promising field.

Accurately capturing the complex interaction between CO2 and water in porous media at the pore scale is essential for various geoscience applications, including carbon capture and storage (CCS). We introduce a comprehensive dataset generated from high-fidelity numerical simulations to capture the intricate interaction between CO2 and water at the pore scale. The dataset consists of 624 2D samples, each of size 512x512 with a resolution of 35 {\mu}m, covering 100 time steps under a constant CO2 injection rate. It includes various levels of heterogeneity, represented by different grain sizes with random variation in spacing, offering a robust testbed for developing predictive models. This dataset provides high-resolution temporal and spatial information crucial for benchmarking machine learning models.

This paper presents a computational method for generating virtual 3D morphologies of functional materials using low-parametric stochastic geometry models, i.e., digital twins, calibrated with 2D microscopy images. These digital twins allow systematic parameter variations to simulate various morphologies, that can be deployed for virtual materials testing by means of spatially resolved numerical simulations of macroscopic properties. Generative adversarial networks (GANs) have gained popularity for calibrating models to generate realistic 3D morphologies. However, GANs often comprise of numerous uninterpretable parameters make systematic variation of morphologies for virtual materials testing challenging. In contrast, low-parametric stochastic geometry models (e.g., based on Gaussian random fields) enable targeted variation but may struggle to mimic complex morphologies. Combining GANs with advanced stochastic geometry models (e.g., excursion sets of more general random fields) addresses these limitations, allowing model calibration solely from 2D image data. This approach is demonstrated by generating a digital twin of all-solid-state battery (ASSB) cathodes. Since the digital twins are parametric, they support systematic exploration of structural scenarios and their macroscopic properties. The proposed method facilitates simulation studies for optimizing 3D morphologies, benefiting not only ASSB cathodes but also other materials with similar structures.

In this work, we employ neural fields, which use neural networks to map a coordinate to the corresponding physical property value at that coordinate, in a test-time learning manner. For a test-time learning method, the weights are learned during the inversion, as compared to traditional approaches which require a network to be trained using a training data set. Results for synthetic examples in seismic tomography and direct current resistivity inversions are shown first. We then perform a singular value decomposition analysis on the Jacobian of the weights of the neural network (SVD analysis) for both cases to explore the effects of neural networks on the recovered model. The results show that the test-time learning approach can eliminate unwanted artifacts in the recovered subsurface physical property model caused by the sensitivity of the survey and physics. Therefore, NFs-Inv improves the inversion results compared to the conventional inversion in some cases such as the recovery of the dip angle or the prediction of the boundaries of the main target. In the SVD analysis, we observe similar patterns in the left-singular vectors as were observed in some diffusion models, trained in a supervised manner, for generative tasks in computer vision. This observation provides evidence that there is an implicit bias, which is inherent in neural network structures, that is useful in supervised learning and test-time learning models. This implicit bias has the potential to be useful for recovering models in geophysical inversions.

Neuromorphic Continual Learning (NCL) paradigm leverages Spiking Neural Networks (SNNs) to enable continual learning (CL) capabilities for AI systems to adapt to dynamically changing environments. Currently, the state-of-the-art employ a memory replay-based method to maintain the old knowledge. However, this technique relies on long timesteps and compression-decompression steps, thereby incurring significant latency and energy overheads, which are not suitable for tightly-constrained embedded AI systems (e.g., mobile agents/robotics). To address this, we propose Replay4NCL, a novel efficient memory replay-based methodology for enabling NCL in embedded AI systems. Specifically, Replay4NCL compresses the latent data (old knowledge), then replays them during the NCL training phase with small timesteps, to minimize the processing latency and energy consumption. To compensate the information loss from reduced spikes, we adjust the neuron threshold potential and learning rate settings. Experimental results on the class-incremental scenario with the Spiking Heidelberg Digits (SHD) dataset show that Replay4NCL can preserve old knowledge with Top-1 accuracy of 90.43% compared to 86.22% from the state-of-the-art, while effectively learning new tasks, achieving 4.88x latency speed-up, 20% latent memory saving, and 36.43% energy saving. These results highlight the potential of our Replay4NCL methodology to further advances NCL capabilities for embedded AI systems.

Extreme hazard events such as wildfires and hurricanes increasingly threaten power systems, causing widespread outages and disrupting critical services. Recently, predict-then-optimize approaches have gained traction in grid operations, where system functionality forecasts are first generated and then used as inputs for downstream decision-making. However, this two-stage method often results in a misalignment between prediction and optimization objectives, leading to suboptimal resource allocation. To address this, we propose predict-all-then-optimize-globally (PATOG), a framework that integrates outage prediction with globally optimized interventions. At its core, our global-decision-focused (GDF) neural ODE model captures outage dynamics while optimizing resilience strategies in a decision-aware manner. Unlike conventional methods, our approach ensures spatially and temporally coherent decision-making, improving both predictive accuracy and operational efficiency. Experiments on synthetic and real-world datasets demonstrate significant improvements in outage prediction consistency and grid resilience.

After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining recent innovations in prediction architectures, with detailed discussions on improvements such as diffusion based frameworks and novel pairwise attention modules. The text analyses key components including structure generation, evaluation metrics, multiple sequence alignment processing, and network architecture, thereby illustrating the current state of the art in computational protein modelling. Subsequent chapters focus on practical applications, presenting case studies that range from individual protein predictions to complex biomolecular interactions. Strategies for enhancing prediction accuracy and integrating deep learning techniques with experimental validation are thoroughly explored. The later sections review the industry landscape of protein design, highlighting the transformative role of artificial intelligence in biotechnology and discussing emerging market trends and future challenges. Supplementary appendices provide essential resources such as databases and open source tools, making this volume a valuable reference for researchers and students.

Currently, deep learning-based methods for remote sensing pansharpening have advanced rapidly. However, many existing methods struggle to fully leverage feature heterogeneity and redundancy, thereby limiting their effectiveness. We use the covariance matrix to model the feature heterogeneity and redundancy and propose Correlation-Aware Covariance Weighting (CACW) to adjust them. CACW captures these correlations through the covariance matrix, which is then processed by a nonlinear function to generate weights for adjustment. Building upon CACW, we introduce a general adaptive dual-level weighting mechanism (ADWM) to address these challenges from two key perspectives, enhancing a wide range of existing deep-learning methods. First, Intra-Feature Weighting (IFW) evaluates correlations among channels within each feature to reduce redundancy and enhance unique information. Second, Cross-Feature Weighting (CFW) adjusts contributions across layers based on inter-layer correlations, refining the final output. Extensive experiments demonstrate the superior performance of ADWM compared to recent state-of-the-art (SOTA) methods. Furthermore, we validate the effectiveness of our approach through generality experiments, redundancy visualization, comparison experiments, key variables and complexity analysis, and ablation studies. Our code is available at https://github.com/Jie-1203/ADWM.