Logs are valuable information for oil and gas fields as they help to determine the lithology of the formations surrounding the borehole and the location and reserves of subsurface oil and gas reservoirs. However, important logs are often missing in horizontal or old wells, which poses a challenge in field applications. In this paper, we utilize data from the 2020 machine learning competition of the SPWLA, which aims to predict the missing compressional wave slowness and shear wave slowness logs using other logs in the same borehole. We employ the NGBoost algorithm to construct an Ensemble Learning model that can predicate the results as well as their uncertainty. Furthermore, we combine the SHAP method to investigate the interpretability of the machine learning model. We compare the performance of the NGBosst model with four other commonly used Ensemble Learning methods, including Random Forest, GBDT, XGBoost, LightGBM. The results show that the NGBoost model performs well in the testing set and can provide a probability distribution for the prediction results. In addition, the variance of the probability distribution of the predicted log can be used to justify the quality of the constructed log. Using the SHAP explainable machine learning model, we calculate the importance of each input log to the predicted results as well as the coupling relationship among input logs. Our findings reveal that the NGBoost model tends to provide greater slowness prediction results when the neutron porosity and gamma ray are large, which is consistent with the cognition of petrophysical models. Furthermore, the machine learning model can capture the influence of the changing borehole caliper on slowness, where the influence of borehole caliper on slowness is complex and not easy to establish a direct relationship. These findings are in line with the physical principle of borehole acoustics.

This paper explores the ability of physics-informed neural networks (PINNs) to solve forward and inverse problems of contact mechanics for small deformation elasticity. We deploy PINNs in a mixed-variable formulation enhanced by output transformation to enforce Dirichlet and Neumann boundary conditions as hard constraints. Inequality constraints of contact problems, namely Karush-Kuhn-Tucker (KKT) type conditions, are enforced as soft constraints by incorporating them into the loss function during network training. To formulate the loss function contribution of KKT constraints, existing approaches applied to elastoplasticity problems are investigated and we explore a nonlinear complementarity problem (NCP) function, namely Fischer-Burmeister, which possesses advantageous characteristics in terms of optimization. Based on the Hertzian contact problem, we show that PINNs can serve as pure partial differential equation (PDE) solver, as data-enhanced forward model, as inverse solver for parameter identification, and as fast-to-evaluate surrogate model. Furthermore, we demonstrate the importance of choosing proper hyperparameters, e.g. loss weights, and a combination of Adam and L-BFGS-B optimizers aiming for better results in terms of accuracy and training time.

In this article, we present a novel data assimilation strategy in pore-scale imaging and demonstrate that this makes it possible to robustly address reactive inverse problems incorporating Uncertainty Quantification (UQ). Pore-scale modeling of reactive flow offers a valuable opportunity to investigate the evolution of macro-scale properties subject to dynamic processes. Yet, they suffer from imaging limitations arising from the associated X-ray microtomography (X-ray microCT) process, which induces discrepancies in the properties estimates. Assessment of the kinetic parameters also raises challenges, as reactive coefficients are critical parameters that can cover a wide range of values. We account for these two issues and ensure reliable calibration of pore-scale modeling, based on dynamical microCT images, by integrating uncertainty quantification in the workflow. The present method is based on a multitasking formulation of reactive inverse problems combining data-driven and physics-informed techniques in calcite dissolution. This allows quantifying morphological uncertainties on the porosity field and estimating reactive parameter ranges through prescribed PDE models with a latent concentration field and dynamical microCT. The data assimilation strategy relies on sequential reinforcement incorporating successively additional PDE constraints. We guarantee robust and unbiased uncertainty quantification by straightforward adaptive weighting of Bayesian Physics-Informed Neural Networks (BPINNs), ensuring reliable micro-porosity changes during geochemical transformations. We demonstrate successful Bayesian Inference in 1D+Time and 2D+Time calcite dissolution based on synthetic microCT images with meaningful posterior distribution on the reactive parameters and dimensionless numbers.

The mainstream of data-driven abstractive summarization models tends to explore the correlations rather than the causal relationships. Among such correlations, there can be spurious ones which suffer from the language prior learned from the training corpus and therefore undermine the overall effectiveness of the learned model. To tackle this issue, we introduce a Structural Causal Model (SCM) to induce the underlying causal structure of the summarization data. We assume several latent causal factors and non-causal factors, representing the content and style of the document and summary. Theoretically, we prove that the latent factors in our SCM can be identified by fitting the observed training data under certain conditions. On the basis of this, we propose a Causality Inspired Sequence-to-Sequence model (CI-Seq2Seq) to learn the causal representations that can mimic the causal factors, guiding us to pursue causal information for summary generation. The key idea is to reformulate the Variational Auto-encoder (VAE) to fit the joint distribution of the document and summary variables from the training corpus. Experimental results on two widely used text summarization datasets demonstrate the advantages of our approach.

Cloth simulation is an extensively studied problem, with a plethora of solutions available in computer graphics literature. Existing cloth simulators produce realistic cloth deformations that obey different types of boundary conditions. Nevertheless, their operational principle remains limited in several ways: They operate on explicit surface representations with a fixed spatial resolution, perform a series of discretised updates (which bounds their temporal resolution), and require comparably large amounts of storage. Moreover, back-propagating gradients through the existing solvers is often not straightforward, which poses additional challenges when integrating them into modern neural architectures. In response to the limitations mentioned above, this paper takes a fundamentally different perspective on physically-plausible cloth simulation and re-thinks this long-standing problem: We propose NeuralClothSim, i.e., a new cloth simulation approach using thin shells, in which surface evolution is encoded in neural network weights. Our memory-efficient and differentiable solver operates on a new continuous coordinate-based representation of dynamic surfaces, i.e., neural deformation fields (NDFs); it supervises NDF evolution with the rules of the non-linear Kirchhoff-Love shell theory. NDFs are adaptive in the sense that they 1) allocate their capacity to the deformation details as the latter arise during the cloth evolution and 2) allow surface state queries at arbitrary spatial and temporal resolutions without retraining. We show how to train our NeuralClothSim solver while imposing hard boundary conditions and demonstrate multiple applications, such as material interpolation and simulation editing. The experimental results highlight the effectiveness of our formulation and its potential impact.

Today's cloud data centers are often distributed geographically to provide robust data services. But these geo-distributed data centers (GDDCs) have a significant associated environmental impact due to their increasing carbon emissions and water usage, which needs to be curtailed. Moreover, the energy costs of operating these data centers continue to rise. This paper proposes a novel framework to co-optimize carbon emissions, water footprint, and energy costs of GDDCs, using a hybrid workload management framework called SHIELD that integrates machine learning guided local search with a decomposition-based evolutionary algorithm. Our framework considers geographical factors and time-based differences in power generation/use, costs, and environmental impacts to intelligently manage workload distribution across GDDCs and data center operation. Experimental results show that SHIELD can realize 34.4x speedup and 2.1x improvement in Pareto Hypervolume while reducing the carbon footprint by up to 3.7x, water footprint by up to 1.8x, energy costs by up to 1.3x, and a cumulative improvement across all objectives (carbon, water, cost) of up to 4.8x compared to the state-of-the-art.

Time-series forecasts play a critical role in business planning. However, forecasters typically optimize objectives that are agnostic to downstream business goals and thus can produce forecasts misaligned with business preferences. In this work, we demonstrate that optimization of conventional forecasting metrics can often lead to sub-optimal downstream business performance. Focusing on the inventory management setting, we derive an efficient procedure for computing and optimizing proxies of common downstream business metrics in an end-to-end differentiable manner. We explore a wide range of plausible cost trade-off scenarios, and empirically demonstrate that end-to-end optimization often outperforms optimization of standard business-agnostic forecasting metrics (by up to 45.7% for a simple scaling model, and up to 54.0% for an LSTM encoder-decoder model). Finally, we discuss how our findings could benefit other business contexts.

Emerging tools bring forth fresh approaches to work, and the field of natural science is no different. In natural science, traditional manual, serial, and labour-intensive work is being augmented by automated, parallel, and iterative processes driven by artificial intelligence-based experimental automation and more. To add new capabilities in natural science, enabling the acceleration and enrichment of automation of the discovery process, we present DARWIN, a series of tailored LLMs for natural science, mainly in physics, chemistry, and material science. This series relies on open-source LLM, incorporating structured and unstructured scientific knowledge from public datasets and literature. We fine-tuned the models using over 60,000 instruction data points, emphasizing factual correctness. During the fine-tuning, we introduce the Scientific Instruction Generation (SIG) model, automating instruction generation from scientific texts. This eliminates the need for manual extraction or domain-specific knowledge graphs and efficiently injects scientific knowledge into the model. We also explore multi-task training strategies, revealing interconnections between scientific tasks. DARWIN series not only achieves state-of-the-art results on various scientific tasks but also diminishes reliance on closed-source AI models. Our research showcases the ability of LLM in the scientific domain, with the overarching goal of fostering prosperity within the broader AI for science community.

Recently deep learning surrogates and neural operators have shown promise in solving partial differential equations (PDEs). However, they often require a large amount of training data and are limited to bounded domains. In this work, we present a novel physics-informed neural operator method to solve parametrized boundary value problems without labeled data. By reformulating the PDEs into boundary integral equations (BIEs), we can train the operator network solely on the boundary of the domain. This approach reduces the number of required sample points from $O(N^d)$ to $O(N^{d-1})$, where $d$ is the domain's dimension, leading to a significant acceleration of the training process. Additionally, our method can handle unbounded problems, which are unattainable for existing physics-informed neural networks (PINNs) and neural operators. Our numerical experiments show the effectiveness of parametrized complex geometries and unbounded problems.

The increasing trend in adopting electric vehicles (EVs) will significantly impact the residential electricity demand, which results in an increased risk of transformer overload in the distribution grid. To mitigate such risks, there are urgent needs to develop effective EV charging controllers. Currently, the majority of the EV charge controllers are based on a centralized approach for managing individual EVs or a group of EVs. In this paper, we introduce a decentralized Multi-agent Reinforcement Learning (MARL) charging framework that prioritizes the preservation of privacy for EV owners. We employ the Centralized Training Decentralized Execution-Deep Deterministic Policy Gradient (CTDE-DDPG) scheme, which provides valuable information to users during training while maintaining privacy during execution. Our results demonstrate that the CTDE framework improves the performance of the charging network by reducing the network costs. Moreover, we show that the Peak-to-Average Ratio (PAR) of the total demand is reduced, which, in turn, reduces the risk of transformer overload during the peak hours.