Materials
Machine Learning-Based Reward-Driven Tuning of Scanning Probe Microscopy: Towards Fully Automated Microscopy
Liu, Yu, Proksch, Roger, Bemis, Jason, Pratiush, Utkarsh, Dubey, Astita, Ahmadi, Mahshid, Emery, Reece, Rack, Philip D., Liu, Yu-Chen, Yang, Jan-Chi, Kalinin, Sergei V.
Since the dawn of scanning probe microscopy (SPM), tapping or intermittent contact mode has been one of the most widely used imaging modes. Manual optimization of tapping mode not only takes a lot of instrument and operator time, but also often leads to frequent probe and sample damage, poor image quality and reproducibility issues for new types of samples or inexperienced users. Despite wide use, optimization of tapping mode imaging is an extremely hard problem, illsuited to either classical control methods or machine learning. Here we introduce a rewarddriven workflow to automate the optimization of SPM in the tapping mode. The reward function is defined based on multiple channels with physical and empirical knowledge of good scans encoded, representing a sample-agnostic measure of image quality and imitating the decisionmaking logic employed by human operators. This automated workflow gives optimal scanning parameters for different probes and samples and gives high-quality SPM images consistently in the attractive mode. This study broadens the application and accessibility of SPM and opens the door for fully automated SPM. 2 Introduction Scanning probe microscopy (SPM) has revolutionized our understanding of the nanoworld, providing unprecedented insights into the structure and properties of materials at the nanoscale. This powerful technique allows for structural imaging in diverse environments, including ambient conditions, liquids, and vacuum, making it versatile for various applications [1-3]. Over the years, SPM has evolved significantly, building upon the initial contact and noncontact modes [4, 5] to yield a broad array of advanced imaging modes.
Optimus-1: Hybrid Multimodal Memory Empowered Agents Excel in Long-Horizon Tasks
Li, Zaijing, Xie, Yuquan, Shao, Rui, Chen, Gongwei, Jiang, Dongmei, Nie, Liqiang
Building a general-purpose agent is a long-standing vision in the field of artificial intelligence. Existing agents have made remarkable progress in many domains, yet they still struggle to complete long-horizon tasks in an open world. We attribute this to the lack of necessary world knowledge and multimodal experience that can guide agents through a variety of long-horizon tasks. In this paper, we propose a Hybrid Multimodal Memory module to address the above challenges. It 1) transforms knowledge into Hierarchical Directed Knowledge Graph that allows agents to explicitly represent and learn world knowledge, and 2) summarises historical information into Abstracted Multimodal Experience Pool that provide agents with rich references for in-context learning. On top of the Hybrid Multimodal Memory module, a multimodal agent, Optimus-1, is constructed with dedicated Knowledge-guided Planner and Experience-Driven Reflector, contributing to a better planning and reflection in the face of long-horizon tasks in Minecraft. Extensive experimental results show that Optimus-1 significantly outperforms all existing agents on challenging long-horizon task benchmarks, and exhibits near human-level performance on many tasks. In addition, we introduce various Multimodal Large Language Models (MLLMs) as the backbone of Optimus-1. Experimental results show that Optimus-1 exhibits strong generalization with the help of the Hybrid Multimodal Memory module, outperforming the GPT-4V baseline on many tasks.
MetaEnzyme: Meta Pan-Enzyme Learning for Task-Adaptive Redesign
Zheng, Jiangbin, Zhang, Han, Xu, Qianqing, Zeng, An-Ping, Li, Stan Z.
Enzyme design plays a crucial role in both industrial production and biology. However, this field faces challenges due to the lack of comprehensive benchmarks and the complexity of enzyme design tasks, leading to a dearth of systematic research. Consequently, computational enzyme design is relatively overlooked within the broader protein domain and remains in its early stages. In this work, we address these challenges by introducing MetaEnzyme, a staged and unified enzyme design framework. We begin by employing a cross-modal structure-to-sequence transformation architecture, as the feature-driven starting point to obtain initial robust protein representation. Subsequently, we leverage domain adaptive techniques to generalize specific enzyme design tasks under low-resource conditions. MetaEnzyme focuses on three fundamental low-resource enzyme redesign tasks: functional design (FuncDesign), mutation design (MutDesign), and sequence generation design (SeqDesign). Through novel unified paradigm and enhanced representation capabilities, MetaEnzyme demonstrates adaptability to diverse enzyme design tasks, yielding outstanding results. Wet lab experiments further validate these findings, reinforcing the efficacy of the redesign process.
Biomimetic Machine Learning approach for prediction of mechanical properties of Additive Friction Stir Deposited Aluminum alloys based walled structures
This study presents a novel approach to predicting mechanical properties of Additive Friction Stir Deposited (AFSD) aluminum alloy walled structures using biomimetic machine learning. The research combines numerical modeling of the AFSD process with genetic algorithm-optimized machine learning models to predict von Mises stress and logarithmic strain. Finite element analysis was employed to simulate the AFSD process for five aluminum alloys: AA2024, AA5083, AA5086, AA7075, and AA6061, capturing complex thermal and mechanical interactions. A dataset of 200 samples was generated from these simulations. Subsequently, Decision Tree (DT) and Random Forest (RF) regression models, optimized using genetic algorithms, were developed to predict key mechanical properties. The GA-RF model demonstrated superior performance in predicting both von Mises stress (R square = 0.9676) and logarithmic strain (R square = 0.7201). This innovative approach provides a powerful tool for understanding and optimizing the AFSD process across multiple aluminum alloys, offering insights into material behavior under various process parameters.
MaterioMiner -- An ontology-based text mining dataset for extraction of process-structure-property entities
Durmaz, Ali Riza, Thomas, Akhil, Mishra, Lokesh, Murthy, Rachana Niranjan, Straub, Thomas
While large language models learn sound statistical representations of the language and information therein, ontologies are symbolic knowledge representations that can complement the former ideally. Research at this critical intersection relies on datasets that intertwine ontologies and text corpora to enable training and comprehensive benchmarking of neurosymbolic models. We present the MaterioMiner dataset and the linked materials mechanics ontology where ontological concepts from the mechanics of materials domain are associated with textual entities within the literature corpus. Another distinctive feature of the dataset is its eminently fine-granular annotation. Specifically, 179 distinct classes are manually annotated by three raters within four publications, amounting to a total of 2191 entities that were annotated and curated. Conceptual work is presented for the symbolic representation of causal composition-process-microstructure-property relationships. We explore the annotation consistency between the three raters and perform fine-tuning of pre-trained models to showcase the feasibility of named-entity recognition model training. Reusing the dataset can foster training and benchmarking of materials language models, automated ontology construction, and knowledge graph generation from textual data.
DeepNetBeam: A Framework for the Analysis of Functionally Graded Porous Beams
Eshaghi, Mohammad Sadegh, Bamdad, Mostafa, Anitescu, Cosmin, Wang, Yizheng, Zhuang, Xiaoying, Rabczuk, Timon
This study investigates different Scientific Machine Learning (SciML) approaches for the analysis of functionally graded (FG) porous beams and compares them under a new framework. The beam material properties are assumed to vary as an arbitrary continuous function. The methods consider the output of a neural network/operator as an approximation to the displacement fields and derive the equations governing beam behavior based on the continuum formulation. The methods are implemented in the framework and formulated by three approaches: (a) the vector approach leads to a Physics-Informed Neural Network (PINN), (b) the energy approach brings about the Deep Energy Method (DEM), and (c) the data-driven approach, which results in a class of Neural Operator methods. Finally, a neural operator has been trained to predict the response of the porous beam with functionally graded material under any porosity distribution pattern and any arbitrary traction condition. The results are validated with analytical and numerical reference solutions. The data and code accompanying this manuscript will be publicly available at https://github.com/eshaghi-ms/DeepNetBeam.
A multi-task deep learning approach for lane-level pavement performance prediction with segment-level data
Wang, Bo, Zhang, Wenbo, LI, Yunpeng
The elaborate pavement performance prediction is an important premise of implementing preventive maintenance. Our survey reveals that in practice, the pavement performance is usually measured at segment-level, where an unique performance value is obtained for all lanes within one segment of 1km length. It still lacks more elaborate performance analysis at lane-level due to costly data collection and difficulty in prediction modeling. Therefore, this study developed a multi-task deep learning approach to predict the lane-level pavement performance with a large amount of historical segment-level performance measurement data. The unified prediction framework can effectively address inherent correlation and differences across lanes. In specific, the prediction framework firstly employed an Long Short-Term Memory (LSTM) layer to capture the segment-level pavement deterioration pattern. Then multiple task-specific LSTM layers were designed based on number of lanes to capture lane-level differences in pavement performance. Finally, we concatenated multiple task-specific LSTM outputs with auxiliary features for further training and obtained the lane-level predictions after fully connected layer. The aforementioned prediction framework was validated with a real case in China. It revealed a better model performance regardless of one-way 2-lane, 3-lane, and 4-lane scenarios, all lower than 10% in terms of mean absolute percentage error. The proposed prediction framework also outperforms other ensemble learning and shallow machine learning methods in almost every lane.
From Problem to Solution: Bio-inspired 3D Printing for Bonding Soft and Rigid Materials via Underextrusions
Goshtasbi, Arman, Grignaffini, Luca, Sadeghi, Ali
Vertebrate animals benefit from a combination of rigidity for structural support and softness for adaptation. Similarly, integrating rigidity and softness can enhance the versatility of soft robotics. However, the challenges associated with creating durable bonding interfaces between soft and rigid materials have limited the development of hybrid robots. Existing solutions require specialized machinery, such as polyjet 3D printers, which are not commonly available. In response to these challenges, we have developed a 3D printing technique that can be used with almost all commercially available FDM printers. This technique leverages the common issue of underextrusion to create a strong bond between soft and rigid materials. Underextrusion generates a porous structure, similar to fibrous connective tissues, that provides a robust interface with the rigid part through layer fusion, while the porosity enables interlocking with the soft material. Our experiments demonstrated that this method outperforms conventional adhesives commonly used in soft robotics, achieving nearly 200\% of the bonding strength in both lap shear and peeling tests. Additionally, we investigated how different porosity levels affect bonding strength. We tested the technique under pressure scenarios critical to soft and hybrid robots and achieved three times more pressure than the current adhesion solution. Finally, we fabricated various hybrid robots using this technique to demonstrate the wide range of capabilities this approach and hybridity can bring to soft robotics. has context menu
Enabling High Data Throughput Reinforcement Learning on GPUs: A Domain Agnostic Framework for Data-Driven Scientific Research
Lan, Tian, Wang, Huan, Xiong, Caiming, Savarese, Silvio
We introduce WarpSci, a domain agnostic framework designed to overcome crucial system bottlenecks encountered in the application of reinforcement learning to intricate environments with vast datasets featuring high-dimensional observation or action spaces. Notably, our framework eliminates the need for data transfer between the CPU and GPU, enabling the concurrent execution of thousands of simulations on a single or multiple GPUs. This high data throughput architecture proves particularly advantageous for data-driven scientific research, where intricate environment models are commonly essential.
CrystalTac: 3D-Printed Vision-Based Tactile Sensor Family through Rapid Monolithic Manufacturing Technique
Fan, Wen, Li, Haoran, Zhang, Dandan
Recently, vision-based tactile sensors (VBTSs) have gained popularity in robotics systems. The sensing mechanisms of most VBTSs can be categorised based on the type of tactile features they capture. Each category requires specific structural designs to convert physical contact into optical information. The complex architectures of VBTSs pose challenges for traditional manufacturing techniques in terms of design flexibility, cost-effectiveness, and quality stability. Previous research has shown that monolithic manufacturing using multi-material 3D printing technology can partially address these challenges. This study introduces the CrystalTac family, a series of VBTSs designed with a unique sensing mechanism and fabricated through rapid monolithic manufacturing. Case studies on CrystalTac-type sensors demonstrate their effective performance in tasks involving tactile perception, along with impressive cost-effectiveness and design flexibility. The CrystalTac family aims to highlight the potential of monolithic manufacturing in VBTS development and inspire further research in tactile sensing and manipulation.