Materials
FreeCG: Free the Design Space of Clebsch-Gordan Transform for Machine Learning Force Field
Shao, Shihao, Geng, Haoran, Cui, Qinghua
The Clebsch-Gordan Transform (CG transform) effectively encodes many-body interactions. Many studies have proven its accuracy in depicting atomic environments, although this comes with high computational needs. The computational burden of this challenge is hard to reduce due to the need for permutation equivariance, which limits the design space of the CG transform layer. We show that, implementing the CG transform layer on permutation-invariant inputs allows complete freedom in the design of this layer without affecting symmetry. Developing further on this premise, our idea is to create a CG transform layer that operates on permutation-invariant abstract edges generated from real edge information. We bring in group CG transform with sparse path, abstract edges shuffling, and attention enhancer to form a powerful and efficient CG transform layer. Our method, known as FreeCG, achieves State-of-The-Art (SoTA) results in force prediction for MD17, rMD17, MD22, and property prediction in QM9 datasets with notable enhancement. It introduces a novel paradigm for carrying out efficient and expressive CG transform in future geometric neural network designs.
Free-form Grid Structure Form Finding based on Machine Learning and Multi-objective Optimisation
Free-form structural forms are widely used to design spatial structures for their irregular spatial morphology. Current free-form form-finding methods cannot adequately meet the material properties, structural requirements or construction conditions, which brings the deviation between the initial 3D geometric design model and the constructed free-form structure. Thus, the main focus of this paper is to improve the rationality of free-form morphology considering multiple objectives in line with the characteristics and constraints of material. In this paper, glued laminated timber is selected as a case. Firstly, machine learning is adopted based on the predictive capability. By selecting a free-form timber grid structure and following the principles of NURBS, the free-form structure is simplified into free-form curves. The transformer is selected to train and predict the curvatures of the curves considering the material characteristics. After predicting the curvatures, the curves are transformed into vectors consisting of control points, weights, and knot vectors. To ensure the constructability and robustness of the structure, minimising the mass of the structure, stress and strain energy are the optimisation objectives. Two parameters (weight and the z-coordinate of the control points) of the free-from morphology are extracted as the variables of the free-form morphology to conduct the optimisation. The evaluation algorithm was selected as the optimal tool due to its capability to optimise multiple parameters. While optimising the two variables, the mechanical performance evaluation indexes such as the maximum displacement in the z-direction are demonstrated in the 60th step. The optimisation results for structure mass, stress and strain energy after 60 steps show the tendency of oscillation convergence, which indicates the efficiency of the proposal multi-objective optimisation.
Revolutionizing Bridge Operation and maintenance with LLM-based Agents: An Overview of Applications and Insights
Xinyu-Chen, null, Yanwen-Zhu, null, Yang-Hou, null, Lianzhen-Zhang, null
In various industrial fields of human social development, people have been exploring methods aimed at freeing human labor. Constructing LLM-based agents is considered to be one of the most effective tools to achieve this goal. Agent, as a kind of human-like intelligent entity with the ability of perception, planning, decision-making, and action, has created great production value in many fields. However, the bridge O\&M field shows a relatively low level of intelligence compared to other industries. Nevertheless, the bridge O\&M field has developed numerous intelligent inspection devices, machine learning algorithms, and autonomous evaluation and decision-making methods, which provide a feasible basis for breakthroughs in artificial intelligence in this field. The aim of this study is to explore the impact of AI bodies based on large-scale language models on the field of bridge O\&M and to analyze the potential challenges and opportunities it brings to the core tasks of bridge O\&M. Through in-depth research and analysis, this paper expects to provide a more comprehensive perspective for understanding the application of intelligentsia in this field.
Robustness of Explainable Artificial Intelligence in Industrial Process Modelling
Kantz, Benedikt, Staudinger, Clemens, Feilmayr, Christoph, Wachlmayr, Johannes, Haberl, Alexander, Schuster, Stefan, Pernkopf, Franz
In the last years, there has been an effort to provide eXplainable Artificial Intelligence (XAI) aims at explanations to the ML model predictions using XAI providing understandable explanations of black (Lundberg & Lee, 2017; Ribeiro et al., 2018; Alvarez-Melis box models. In this paper, we evaluate current & Jaakkola, 2018; Shrikumar et al., 2017). XAI methods by scoring them based on ground truth simulations and sensitivity analysis. To Most of these works, even if they focus on the robustness this end, we used an Electric Arc Furnace (EAF) and trustworthiness of the XAI method, have the shortcoming model to better understand the limits and robustness that they can only be evaluated through surrogate characteristics of XAI methods such as SHapley measures (Crabbé & van der Schaar, 2023), and the ground Additive exPlanations (SHAP), Local Interpretable truth sensitivity of the evaluated datasets cannot be properly Model-agnostic Explanations (LIME), as calculated (Alvarez-Melis & Jaakkola, 2018). Some well as Averaged Local Effects (ALE) or Smooth existing approaches rather use data augmentation (Sun et al., Gradients (SG) in a highly topical setting. These 2020) or create measures estimating the importance of the XAI methods were applied to various types of features (Yeh et al., 2019); further related work is provided black-box models and then scored based on their in Section A.3. None of these systems, to the best of our correctness compared to the ground-truth sensitivity knowledge, consider the ground truth sensitivity, or gradient, of the data-generating processes using a novel of the data-generating process that created the dataset.
DART: An Automated End-to-End Object Detection Pipeline with Data Diversification, Open-Vocabulary Bounding Box Annotation, Pseudo-Label Review, and Model Training
Xin, Chen, Hartel, Andreas, Kasneci, Enkelejda
Swift and accurate detection of specified objects is crucial for many industrial applications, such as safety monitoring on construction sites. However, traditional approaches rely heavily on arduous manual annotation and data collection, which struggle to adapt to ever-changing environments and novel target objects. To address these limitations, this paper presents DART, an automated end-to-end pipeline designed to streamline the entire workflow of an object detection application from data collection to model deployment. DART eliminates the need for human labeling and extensive data collection while excelling in diverse scenarios. It employs a subject-driven image generation module (DreamBooth with SDXL) for data diversification, followed by an annotation stage where open-vocabulary object detection (Grounding DINO) generates bounding box annotations for both generated and original images. These pseudo-labels are then reviewed by a large multimodal model (GPT-4o) to guarantee credibility before serving as ground truth to train real-time object detectors (YOLO). We apply DART to a self-collected dataset of construction machines named Liebherr Product, which contains over 15K high-quality images across 23 categories. The current implementation of DART significantly increases average precision (AP) from 0.064 to 0.832. Furthermore, we adopt a modular design for DART to ensure easy exchangeability and extensibility. This allows for a smooth transition to more advanced algorithms in the future, seamless integration of new object categories without manual labeling, and adaptability to customized environments without extra data collection. The code and dataset are released at https://github.com/chen-xin-94/DART.
MSEval: A Dataset for Material Selection in Conceptual Design to Evaluate Algorithmic Models
Jain, Yash Patawari, Grandi, Daniele, Groom, Allin, Cramer, Brandon, McComb, Christopher
Material selection plays a pivotal role in many industries, from manufacturing to construction. Material selection is usually carried out after several cycles of conceptual design, during which designers iteratively refine the design solution and the intended manufacturing approach. In design research, material selection is typically treated as an optimization problem with a single correct answer. Moreover, it is also often restricted to specific types of objects or design functions, which can make the selection process computationally expensive and time-consuming. In this paper, we introduce MSEval, a novel dataset which is comprised of expert material evaluations across a variety of design briefs and criteria. This data is designed to serve as a benchmark to facilitate the evaluation and modification of machine learning models in the context of material selection for conceptual design.
The Download: automating warehouse tasks, and problems with recycling plastics
Before almost any item reaches your door, it traverses the global supply chain on a pallet. More than 2 billion pallets are in circulation in the United States alone, and 400 billion worth of goods are exported on them annually. However, loading boxes onto these pallets is a task stuck in the past: Heavy loads and repetitive movements leave workers at high risk of injury, and in the rare instances when robots are used, they take months to program using handheld computers that have changed little since the 1980s. Jacobi Robotics, a startup spun out of the labs of the University of California, Berkeley, says it can vastly speed up that process with AI. If successful, Jacobi aims to replace the legacy methods customers are currently using to train their bots, whittling down the time it takes to code a paletting process from months to a single day.
Three-layer deep learning network random trees for fault detection in chemical production process
Lu, Ming, Gao, Zhen, Zou, Ying, Chen, Zuguo, Li, Pei
With the development of technology, the chemical production process is becoming increasingly complex and large-scale, making fault detection particularly important. However, current detective methods struggle to address the complexities of large-scale production processes. In this paper, we integrate the strengths of deep learning and machine learning technologies, combining the advantages of bidirectional long and short-term memory neural networks, fully connected neural networks, and the extra trees algorithm to propose a novel fault detection model named three-layer deep learning network random trees (TDLN-trees). First, the deep learning component extracts temporal features from industrial data, combining and transforming them into a higher-level data representation. Second, the machine learning component processes and classifies the features extracted in the first step. An experimental analysis based on the Tennessee Eastman process verifies the superiority of the proposed method.
An Improved Traditional Chinese Evaluation Suite for Foundation Model
Tam, Zhi-Rui, Pai, Ya-Ting, Lee, Yen-Wei, Chen, Jun-Da, Chu, Wei-Min, Cheng, Sega, Shuai, Hong-Han
We present TMMLU+, a new benchmark designed for Traditional Chinese language understanding. TMMLU+ is a multi-choice question-answering dataset with 66 subjects from elementary to professional level. It is six times larger and boasts a more balanced subject distribution than its predecessor, Taiwan Massive Multitask Language Understanding (TMMLU). We also benchmark closed-source models and 26 open-weight Chinese large language models (LLMs) of parameters ranging from 1.8B to 72B on the proposed TMMLU+. Our findings reveal that (1.) Traditional Chinese models still trail behind their Simplified Chinese counterparts, highlighting a need for more focused advancements in LLMs catering to Traditional Chinese. (2.) Current LLMs still fall short of human performance in average scores, indicating a potential need for future research to delve deeper into social science and humanities subjects. (3.) Among all the tokenization compression metrics examined, we identify that only the fertility score uniquely demonstrates strong correlations with our benchmark results. We foresee that TMMLU+ will pinpoint areas for future model improvement, thereby narrowing the gap between machine and human linguistic capabilities and supporting researchers in developing Traditional Chinese LLMs. Our dataset, along with the benchmark source code, is accessible at huggingface.co/datasets/ikala/tmmluplus.
A Machine Learning and Explainable AI Framework Tailored for Unbalanced Experimental Catalyst Discovery
Semnani, Parastoo, Bogojeski, Mihail, Bley, Florian, Zhang, Zizheng, Wu, Qiong, Kneib, Thomas, Herrmann, Jan, Weisser, Christoph, Patcas, Florina, Müller, Klaus-Robert
The successful application of machine learning (ML) in catalyst design relies on high-quality and diverse data to ensure effective generalization to novel compositions, thereby aiding in catalyst discovery. However, due to complex interactions, catalyst design has long relied on trial-and-error, a costly and labor-intensive process leading to scarce data that is heavily biased towards undesired, low-yield catalysts. Despite the rise of ML in this field, most efforts have not focused on dealing with the challenges presented by such experimental data. To address these challenges, we introduce a robust machine learning and explainable AI (XAI) framework to accurately classify the catalytic yield of various compositions and identify the contributions of individual components. This framework combines a series of ML practices designed to handle the scarcity and imbalance of catalyst data. We apply the framework to classify the yield of various catalyst compositions in oxidative methane coupling, and use it to evaluate the performance of a range of ML models: tree-based models, logistic regression, support vector machines, and neural networks. These experiments demonstrate that the methods used in our framework lead to a significant improvement in the performance of all but one of the evaluated models. Additionally, the decision-making process of each ML model is analyzed by identifying the most important features for predicting catalyst performance using XAI methods. Our analysis found that XAI methods, providing class-aware explanations, such as Layer-wise Relevance Propagation, identified key components that contribute specifically to high-yield catalysts. These findings align with chemical intuition and existing literature, reinforcing their validity. We believe that such insights can assist chemists in the development and identification of novel catalysts with superior performance.