An accurate and efficient simulation of the hysteretic behavior of materials and components is essential for structural analysis. The surrogate model based on neural networks shows significant potential in balancing efficiency and accuracy. However, its serial information flow and prediction based on single-level features adversely affect the network performance. Therefore, a weighted stacked pyramid neural network architecture is proposed herein. This network establishes a pyramid architecture by introducing multi-level shortcuts to integrate features directly in the output module. In addition, a weighted stacked strategy is proposed to enhance the conventional feature fusion method. Subsequently, the redesigned architectures are compared with other commonly used network architectures. Results show that the redesigned architectures outperform the alternatives in 87.5% of cases. Meanwhile, the long and short-term memory abilities of different basic network architectures are analyzed through a specially designed experiment, which could provide valuable suggestions for network selection.

With the increasing enrichment and development of the financial derivatives market, the frequency of transactions is also faster and faster. Due to human limitations, algorithms and automatic trading have recently become the focus of discussion. In this paper, we propose a bidirectional LSTM neural network based on an attention mechanism, which is based on two popular assets, gold and bitcoin. In terms of Feature Engineering, on the one hand, we add traditional technical factors, and at the same time, we combine time series models to develop factors. In the selection of model parameters, we finally chose a two-layer deep learning network. According to AUC measurement, the accuracy of bitcoin and gold is 71.94% and 73.03% respectively. Using the forecast results, we achieved a return of 1089.34% in two years. At the same time, we also compare the attention Bi-LSTM model proposed in this paper with the traditional model, and the results show that our model has the best performance in this data set. Finally, we discuss the significance of the model and the experimental results, as well as the possible improvement direction in the future.

Can robots mold soft plastic materials by shaping depth images? The short answer is no: current day robots can't. In this article, we address the problem of shaping plastic material with an anthropomorphic arm/hand robot, which observes the material with a fixed depth camera. Robots capable of molding could assist humans in many tasks, such as cooking, scooping or gardening. Yet, the problem is complex, due to its high-dimensionality at both perception and control levels. To address it, we design three alternative data-based methods for predicting the effect of robot actions on the material. Then, the robot can plan the sequence of actions and their positions, to mold the material into a desired shape. To make the prediction problem tractable, we rely on two original ideas. First, we prove that under reasonable assumptions, the shaping problem can be mapped from point cloud to depth image space, with many benefits (simpler processing, no need for registration, lower computation time and memory requirements). Second, we design a novel, simple metric for quickly measuring the distance between two depth images. The metric is based on the inherent point cloud representation of depth images, which enables direct and consistent comparison of image pairs through a non-uniform scaling approach, and therefore opens promising perspectives for designing \textit{depth image -- based} robot controllers. We assess our approach in a series of unprecedented experiments, where a robotic arm/hand molds flour from initial to final shapes, either with its own dataset, or by transfer learning from a human dataset. We conclude the article by discussing the limitations of our framework and those of current day hardware, which make human-like robot molding a challenging open research problem.

New Natural Langauge Process (NLP) benchmarks are urgently needed to align with the rapid development of large language models (LLMs). We present Xiezhi, the most comprehensive evaluation suite designed to assess holistic domain knowledge. Xiezhi comprises multiple-choice questions across 516 diverse disciplines ranging from 13 different subjects with 249,587 questions and accompanied by Xiezhi-Specialty and Xiezhi-Interdiscipline, both with 15k questions. We conduct evaluation of the 47 cutting-edge LLMs on Xiezhi. Results indicate that LLMs exceed average performance of humans in science, engineering, agronomy, medicine, and art, but fall short in economics, jurisprudence, pedagogy, literature, history, and management.

An improved understanding of soil can enable more sustainable land-use practices. Nevertheless, soil is called a complex, living medium due to the complex interaction of different soil processes that limit our understanding of soil. Process-based models and analyzing observed data provide two avenues for improving our understanding of soil processes. Collecting observed data is cost-prohibitive but reflects real-world behavior, while process-based models can be used to generate ample synthetic data which may not be representative of reality. We propose a framework, knowledge-guided representation learning, and causal structure learning (KGRCL), to accelerate scientific discoveries in soil science. The framework improves representation learning for simulated soil processes via conditional distribution matching with observed soil processes. Simultaneously, the framework leverages both observed and simulated data to learn a causal structure among the soil processes. The learned causal graph is more representative of ground truth than other graphs generated from other causal discovery methods. Furthermore, the learned causal graph is leveraged in a supervised learning setup to predict the impact of fertilizer use and changing weather on soil carbon. We present the results in five different locations to show the improvement in the prediction performance in out-of-sample and few-shots setting.

Artificial intelligence for scientific discovery has recently generated significant interest within the machine learning and scientific communities, particularly in the domains of chemistry, biology, and material discovery. For these scientific problems, molecules serve as the fundamental building blocks, and machine learning has emerged as a highly effective and powerful tool for modeling their geometric structures. Nevertheless, due to the rapidly evolving process of the field and the knowledge gap between science (e.g., physics, chemistry, & biology) and machine learning communities, a benchmarking study on geometrical representation for such data has not been conducted. To address such an issue, in this paper, we first provide a unified view of the current symmetry-informed geometric methods, classifying them into three main categories: invariance, equivariance with spherical frame basis, and equivariance with vector frame basis. Then we propose a platform, coined Geom3D, which enables benchmarking the effectiveness of geometric strategies. Geom3D contains 16 advanced symmetry-informed geometric representation models and 14 geometric pretraining methods over 46 diverse datasets, including small molecules, proteins, and crystalline materials. We hope that Geom3D can, on the one hand, eliminate barriers for machine learning researchers interested in exploring scientific problems; and, on the other hand, provide valuable guidance for researchers in computational chemistry, structural biology, and materials science, aiding in the informed selection of representation techniques for specific applications. The source code is available on the GitHub repository.

There are numerous advantages of deep neural network surrogate modeling for response time-history prediction. However, due to the high cost of refined numerical simulations and actual experiments, the lack of data has become an unavoidable bottleneck in practical applications. An iterative self-transfer learning method for training neural networks based on small datasets is proposed in this study. A new mapping-based transfer learning network, named as deep adaptation network with three branches for regression (DAN-TR), is proposed. A general iterative network training strategy is developed by coupling DAN-TR and the pseudo-label (PL) strategy, and the establishment of corresponding datasets is also discussed. Finally, a complex component is selected as a case study. The results show that the proposed method can improve the model performance by near an order of magnitude on small datasets without the need of external labeled samples, well behaved pre-trained models, additional artificial labeling, and complex physical/mathematical analysis.

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be $SO(3)$ equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for equivariant networks, increase significantly in computational complexity as higher-order tensors are used. In this paper, we address this issue by reducing the $SO(3)$ convolutions or tensor products to mathematically equivalent convolutions in $SO(2)$ . This is accomplished by aligning the node embeddings' primary axis with the edge vectors, which sparsifies the tensor product and reduces the computational complexity from $O(L^6)$ to $O(L^3)$, where $L$ is the degree of the representation. We demonstrate the potential implications of this improvement by proposing the Equivariant Spherical Channel Network (eSCN), a graph neural network utilizing our novel approach to equivariant convolutions, which achieves state-of-the-art results on the large-scale OC-20 and OC-22 datasets.

The identification of material parameters occurring in constitutive models has a wide range of applications in practice. One of these applications is the monitoring and assessment of the actual condition of infrastructure buildings, as the material parameters directly reflect the resistance of the structures to external impacts. Physics-informed neural networks (PINNs) have recently emerged as a suitable method for solving inverse problems. The advantages of this method are a straightforward inclusion of observation data. Unlike grid-based methods, such as the least square finite element method (LS-FEM) approach, no computational grid and no interpolation of the data is required. In the current work, we propose PINNs for the calibration of constitutive models from full-field displacement and global force data in a realistic regime on the example of linear elasticity. We show that conditioning and reformulation of the optimization problem play a crucial role in real-world applications. Therefore, among others, we identify the material parameters from initial estimates and balance the individual terms in the loss function. In order to reduce the dependency of the identified material parameters on local errors in the displacement approximation, we base the identification not on the stress boundary conditions but instead on the global balance of internal and external work. We demonstrate that the enhanced PINNs are capable of identifying material parameters from both experimental one-dimensional data and synthetic full-field displacement data in a realistic regime. Since displacement data measured by, e.g., a digital image correlation (DIC) system is noisy, we additionally investigate the robustness of the method to different levels of noise.

Graphene is one of the most researched two dimensional (2D) material due to its unique combination of mechanical, thermal and electrical properties. Special 2D structure of graphene enables it to exhibit a wide range of peculiar material properties like high Young's modulus, high specific strength etc. which are critical for myriad of applications including light weight structural materials, multi-functional coating and flexible electronics. It is quite challenging and costly to experimentally investigate graphene/graphene based nanocomposites, computational simulations such as molecular dynamics (MD) simulations are widely adopted for understanding the microscopic origins of their unique properties. However, disparate results were reported from computational studies, especially MD simulations using various empirical inter-atomic potentials. In this work, an artificial neural network based interatomic potential has been developed for graphene to represent the potential energy surface based on first principle calculations. The developed machine learning potential (MLP) facilitates high fidelity MD simulations to approach the accuracy of ab initio methods but with a fraction of computational cost, which allows larger simulation size/length, and thereby enables accelerated discovery/design of graphene-based novel materials. Lattice parameter, coefficient of thermal expansion (CTE), Young's modulus and yield strength are estimated using machine learning accelerated MD simulations (MLMD), which are compared to experimental/first principle calculations from previous literatures. It is demonstrated that MLMD can capture the dominating mechanism governing CTE of graphene, including effects from lattice parameter and out of plane rippling.