Artificial intelligence (AI) has become a buzz word since Google's AlphaGo beat a world champion in 2017. In the past five years, machine learning as a subset of the broader category of AI has obtained considerable attention in the research community of granular materials. This work offers a detailed review of the recent advances in machine learning-aided studies of granular materials from the particle-particle interaction at the grain level to the macroscopic simulations of granular flow. This work will start with the application of machine learning in the microscopic particle-particle interaction and associated contact models. Then, different neural networks for learning the constitutive behaviour of granular materials will be reviewed and compared. Finally, the macroscopic simulations of practical engineering or boundary value problems based on the combination of neural networks and numerical methods are discussed. We hope readers will have a clear idea of the development of machine learning-aided modelling of granular materials via this comprehensive review work.

Developing language model-based dialogue agents requires effective data to train models that can follow specific task logic. However, most existing data augmentation methods focus on increasing diversity in language, topics, or dialogue acts at the utterance level, largely neglecting a critical aspect of task logic diversity at the dialogue level. This paper proposes a novel data augmentation method designed to enhance the diversity of synthetic dialogues by focusing on task execution logic. Our method uses LLMs to generate decision tree-structured task plans, which enables the derivation of diverse dialogue trajectories for a given task. Each trajectory, referred to as a "dialog flow", guides the generation of a multi-turn dialogue that follows a unique trajectory. We apply this method to generate a task-oriented dialogue dataset comprising 3,886 dialogue flows across 15 different domains. We validate the effectiveness of this dataset using the next action prediction task, where models fine-tuned on our dataset outperform strong baselines, including GPT-4. Upon acceptance of this paper, we plan to release the code and data publicly.

Basement relief gravimetry is crucial in geophysics, especially for oil exploration and mineral prospecting. It involves solving an inverse problem to infer geological model parameters from observed data. The model represents basement relief with constant-density prisms, and the data reflect gravitational anomalies from these prisms. Inverse problems are often ill-posed, meaning small data changes can lead to large solution variations. To mitigate this, regularization techniques like Tikhonov's are used to stabilize solutions. This study compares regularization methods applied to gravimetric inversion, including Smoothness Constraints, Total Variation, Discrete Cosine Transform (DCT), and Discrete Wavelet Transform (DWT) using Daubechies D4 wavelets. Optimization, particularly with Genetic Algorithms (GA), is used to find prism depths that best match observed anomalies. GA, inspired by natural selection, selects the best solutions to minimize the objective function. The results, evaluated through fit metrics and error analysis, show the effectiveness of all regularization methods and GA, with the Smoothness constraint performing best in synthetic models. For the real data model, all methods performed similarly.

Nearly 900 million people live in low-lying coastal zones around the world and bear the brunt of impacts from more frequent and severe hurricanes and storm surges. Oceanographers simulate ocean current circulation along the coasts to develop early warning systems that save lives and prevent loss and damage to property from coastal hazards. Traditionally, such simulations are conducted using coastal ocean circulation models such as the Regional Ocean Modeling System (ROMS), which usually runs on an HPC cluster with multiple CPU cores. However, the process is time-consuming and energy expensive. While coarse-grained ROMS simulations offer faster alternatives, they sacrifice detail and accuracy, particularly in complex coastal environments. Recent advances in deep learning and GPU architecture have enabled the development of faster AI (neural network) surrogates. This paper introduces an AI surrogate based on a 4D Swin Transformer to simulate coastal tidal wave propagation in an estuary for both hindcast and forecast (up to 12 days). Our approach not only accelerates simulations but also incorporates a physics-based constraint to detect and correct inaccurate results, ensuring reliability while minimizing manual intervention. We develop a fully GPU-accelerated workflow, optimizing the model training and inference pipeline on NVIDIA DGX-2 A100 GPUs. Our experiments demonstrate that our AI surrogate reduces the time cost of 12-day forecasting of traditional ROMS simulations from 9,908 seconds (on 512 CPU cores) to 22 seconds (on one A100 GPU), achieving over 450$\times$ speedup while maintaining high-quality simulation results. This work contributes to oceanographic modeling by offering a fast, accurate, and physically consistent alternative to traditional simulation models, particularly for real-time forecasting in rapid disaster response.

Differentially private gradient descent (DP-GD) is a popular algorithm to train deep learning models with provable guarantees on the privacy of the training data. In the last decade, the problem of understanding its performance cost with respect to standard GD has received remarkable attention from the research community, which formally derived upper bounds on the excess population risk $R_{P}$ in different learning settings. However, existing bounds typically degrade with over-parameterization, i.e., as the number of parameters $p$ gets larger than the number of training samples $n$ -- a regime which is ubiquitous in current deep-learning practice. As a result, the lack of theoretical insights leaves practitioners without clear guidance, leading some to reduce the effective number of trainable parameters to improve performance, while others use larger models to achieve better results through scale. In this work, we show that in the popular random features model with quadratic loss, for any sufficiently large $p$, privacy can be obtained for free, i.e., $\left|R_{P} \right| = o(1)$, not only when the privacy parameter $\varepsilon$ has constant order, but also in the strongly private setting $\varepsilon = o(1)$. This challenges the common wisdom that over-parameterization inherently hinders performance in private learning.

Optimizing costly black-box functions within a constrained evaluation budget presents significant challenges in many real-world applications. Surrogate Optimization (SO) is a common resolution, yet its proprietary nature introduced by the complexity of surrogate models and the sampling core (e.g., acquisition functions) often leads to a lack of explainability and transparency. While existing literature has primarily concentrated on enhancing convergence to global optima, the practical interpretation of newly proposed strategies remains underexplored, especially in batch evaluation settings. In this paper, we propose \emph{Inclusive} Explainability Metrics for Surrogate Optimization (IEMSO), a comprehensive set of model-agnostic metrics designed to enhance the transparency, trustworthiness, and explainability of the SO approaches. Through these metrics, we provide both intermediate and post-hoc explanations to practitioners before and after performing expensive evaluations to gain trust. We consider four primary categories of metrics, each targeting a specific aspect of the SO process: Sampling Core Metrics, Batch Properties Metrics, Optimization Process Metrics, and Feature Importance. Our experimental evaluations demonstrate the significant potential of the proposed metrics across different benchmarks.

As global climate change intensifies, accurate weather forecasting has become increasingly important, affecting agriculture, energy management, environmental protection, and daily life. This study introduces a hybrid model combining Convolutional Neural Networks (CNNs) and Long Short-Term Memory (LSTM) networks to predict historical temperature data. CNNs are utilized for spatial feature extraction, while LSTMs handle temporal dependencies, resulting in significantly improved prediction accuracy and stability. By using Mean Absolute Error (MAE) as the loss function, the model demonstrates excellent performance in processing complex meteorological data, addressing challenges such as missing data and high-dimensionality. The results show a strong alignment between the prediction curve and test data, validating the model's potential in climate prediction. This study offers valuable insights for fields such as agriculture, energy management, and urban planning, and lays the groundwork for future applications in weather forecasting under the context of global climate change.

Autonomous surgical robots have demonstrated significant potential to standardize surgical outcomes, driving innovations that enhance safety and consistency regardless of individual surgeon experience. Deep anterior lamellar keratoplasty (DALK), a partial thickness corneal transplant surgery aimed at replacing the anterior part of cornea above Descemet membrane (DM), would greatly benefit from an autonomous surgical approach as it highly relies on surgeon skill with high perforation rates. In this study, we proposed a novel autonomous surgical robotic system (AUTO-DALK) based on a customized neural network capable of precise needle control and consistent big bubble demarcation on cadaver and live rabbit models. We demonstrate the feasibility of an AI-based image-guided vertical drilling approach for big bubble generation, in contrast to the conventional horizontal needle approach. Our system integrates an optical coherence tomography (OCT) fiber optic distal sensor into the eye-mountable micro robotic system, which automatically segments OCT M-mode depth signals to identify corneal layers using a custom deep learning algorithm. It enables the robot to autonomously guide the needle to targeted tissue layers via a depth-controlled feedback loop. We compared autonomous needle insertion performance and resulting pneumo-dissection using AUTO-DALK against 1) freehand insertion, 2) OCT sensor guided manual insertion, and 3) teleoperated robotic insertion, reporting significant improvements in insertion depth, pneumo-dissection depth, task completion time, and big bubble formation. Ex vivo and in vivo results indicate that the AI-driven, AUTO-DALK system, is a promising solution to standardize pneumo-dissection outcomes for partial thickness keratoplasty.

This paper introduces a framework for Bayesian Optimization (BO) with metric movement costs, addressing a critical challenge in practical applications where input alterations incur varying costs. Our approach is a convenient plug-in that seamlessly integrates with the existing literature on batched algorithms, where designs within batches are observed following the solution of a Traveling Salesman Problem. The proposed method provides a theoretical guarantee of convergence in terms of movement costs for BO. Empirically, our method effectively reduces average movement costs over time while maintaining comparable regret performance to conventional BO methods. This framework also shows promise for broader applications in various bandit settings with movement costs.

Carbon emissions are rising at an alarming rate, posing a significant threat to global efforts to mitigate climate change. Electric vehicles have emerged as a promising solution, but their reliance on lithium-ion batteries introduces the critical challenge of battery degradation. Accurate prediction and forecasting of battery degradation over both short and long time spans are essential for optimizing performance, extending battery life, and ensuring effective long-term energy management. This directly influences the reliability, safety, and sustainability of EVs, supporting their widespread adoption and aligning with key UN SDGs. In this paper, we present a novel approach to the prediction and long-term forecasting of battery degradation using Scientific Machine Learning framework which integrates domain knowledge with neural networks, offering more interpretable and scientifically grounded solutions for both predicting short-term battery health and forecasting degradation over extended periods. This hybrid approach captures both known and unknown degradation dynamics, improving predictive accuracy while reducing data requirements. We incorporate ground-truth data to inform our models, ensuring that both the predictions and forecasts reflect practical conditions. The model achieved MSE of 9.90 with the UDE and 11.55 with the NeuralODE, in experimental data, a loss of 1.6986 with the UDE, and a MSE of 2.49 in the NeuralODE, demonstrating the enhanced precision of our approach. This integration of data-driven insights with SciML's strengths in interpretability and scalability allows for robust battery management. By enhancing battery longevity and minimizing waste, our approach contributes to the sustainability of energy systems and accelerates the global transition toward cleaner, more responsible energy solutions, aligning with the UN's SDG agenda.