Materials
Real-Time Structural Deflection Estimation in Hydraulically Actuated Systems Using 3D Flexible Multibody Simulation and DNNs
Khadim, Qasim, Manzl, Peter, Kurvinen, Emil, Mikkola, Aki, Orzechowski, Grzegorz, Gerstmayr, Johannes
The precision, stability, and performance of lightweight high-strength steel structures in heavy machinery is affected by their highly nonlinear dynamics. This, in turn, makes control more difficult, simulation more computationally intensive, and achieving real-time autonomy, using standard approaches, impossible. Machine learning through data-driven, physics-informed and physics-inspired networks, however, promises more computationally efficient and accurate solutions to nonlinear dynamic problems. This study proposes a novel framework that has been developed to estimate real-time structural deflection in hydraulically actuated three-dimensional systems. It is based on SLIDE, a machine-learning-based method to estimate dynamic responses of mechanical systems subjected to forced excitations.~Further, an algorithm is introduced for the data acquisition from a hydraulically actuated system using randomized initial configurations and hydraulic pressures.~The new framework was tested on a hydraulically actuated flexible boom with various sensor combinations and lifting various payloads. The neural network was successfully trained in less time using standard parameters from PyTorch, ADAM optimizer, the various sensor inputs, and minimal output data. The SLIDE-trained neural network accelerated deflection estimation solutions by a factor of $10^7$ in reference to flexible multibody simulation batches and provided reasonable accuracy. These results support the studies goal of providing robust, real-time solutions for control, robotic manipulators, structural health monitoring, and automation problems.
Inorganic Catalyst Efficiency Prediction Based on EAPCR Model: A Deep Learning Solution for Multi-Source Heterogeneous Data
Liu, Zhangdi, An, Ling, Song, Mengke, Yu, Zhuohang, Wang, Shan, Qi, Kezhen, Zhang, Zhenyu, Zhou, Chichun
The design of inorganic catalysts and the prediction of their catalytic efficiency are fundamental challenges in chemistry and materials science. Traditional catalyst evaluation methods primarily rely on machine learning techniques; however, these methods often struggle to process multi-source heterogeneous data, limiting both predictive accuracy and generalization. To address these limitations, this study introduces the Embedding-Attention-Permutated CNN-Residual (EAPCR) deep learning model. EAPCR constructs a feature association matrix using embedding and attention mechanisms and enhances predictive performance through permutated CNN architectures and residual connections. This approach enables the model to accurately capture complex feature interactions across various catalytic conditions, leading to precise efficiency predictions. EAPCR serves as a powerful tool for computational researchers while also assisting domain experts in optimizing catalyst design, effectively bridging the gap between data-driven modeling and experimental applications. We evaluate EAPCR on datasets from TiO2 photocatalysis, thermal catalysis, and electrocatalysis, demonstrating its superiority over traditional machine learning methods (e.g., linear regression, random forest) as well as conventional deep learning models (e.g., ANN, NNs). Across multiple evaluation metrics (MAE, MSE, R2, and RMSE), EAPCR consistently outperforms existing approaches. These findings highlight the strong potential of EAPCR in inorganic catalytic efficiency prediction. As a versatile deep learning framework, EAPCR not only improves predictive accuracy but also establishes a solid foundation for future large-scale model development in inorganic catalysis.
A Decapod Robot with Rotary Bellows-Enclosed Soft Transmissions
He, Yiming, Wang, Yuchen, Zhang, Yunjia, Li, Shuguang
Soft crawling robots exhibit efficient locomotion across various terrains and demonstrate robustness to diverse environmental conditions. Here, we propose a valveless soft-legged robot that integrates a pair of rotary bellows-enclosed soft transmission systems (R-BESTS). The proposed R-BESTS can directly transmit the servo rotation into leg swing motion. A timing belt controls the pair of R-BESTS to maintain synchronous rotation in opposite phases, realizing alternating tripod gaits of walking and turning. We explored several designs to understand the role of a reinforcement skeleton in twisting the R-BESTS' input bellows units. The bending sequences of the robot legs are controlled through structural design for the output bellows units. Finally, we demonstrate untethered locomotion with the soft robotic decapod. Experimental results show that our robot can walk at 1.75 centimeters per second (0.07 body length per second) for 90 min, turn with a 15-centimeter (0.6 BL) radius, carry a payload of 200 g, and adapt to different terrains.
MC-GRU:a Multi-Channel GRU network for generalized nonlinear structural response prediction across structures
Accurate prediction of seismic responses and quantification of structural damage are critical in civil engineering. Traditional approaches such as finite element analysis could lack computational efficiency, especially for complex structural systems under extreme hazards. Recently, artificial intelligence has provided an alternative to efficiently model highly nonlinear behaviors. However, existing models face challenges in generalizing across diverse structural systems. This paper proposes a novel multi-channel gated recurrent unit (MC-GRU) network aimed at achieving generalized nonlinear structural response prediction for varying structures. The key concept lies in the integration of a multi-channel input mechanism to GRU with an extra input of structural information to the candidate hidden state, which enables the network to learn the dynamic characteristics of diverse structures and thus empower the generalizability and adaptiveness to unseen structures. The performance of the proposed MC-GRU is validated through a series of case studies, including a single-degree-of-freedom linear system, a hysteretic Bouc-Wen system, and a nonlinear reinforced concrete column from experimental testing. Results indicate that the proposed MC-GRU overcomes the major generalizability issues of existing methods, with capability of accurately inferring seismic responses of varying structures. Additionally, it demonstrates enhanced capabilities in representing nonlinear structural dynamics compared to traditional models such as GRU and LSTM.
KwaiChat: A Large-Scale Video-Driven Multilingual Mixed-Type Dialogue Corpus
Shi, Xiaoming, Liu, Zeming, Lei, Yiming, Zhang, Chenkai, Leng, Haitao, Wang, Chuan, Liu, Qingjie, Che, Wanxiang, Liu, Shaoguo, Li, Size, Wang, Yunhong
Video-based dialogue systems, such as education assistants, have compelling application value, thereby garnering growing interest. However, the current video-based dialogue systems are limited by their reliance on a single dialogue type, which hinders their versatility in practical applications across a range of scenarios, including question-answering, emotional dialog, etc. In this paper, we identify this challenge as how to generate video-driven multilingual mixed-type dialogues. To mitigate this challenge, we propose a novel task and create a human-to-human video-driven multilingual mixed-type dialogue corpus, termed KwaiChat, containing a total of 93,209 videos and 246,080 dialogues, across 4 dialogue types, 30 domains, 4 languages, and 13 topics. Additionally, we establish baseline models on KwaiChat. An extensive analysis of 7 distinct LLMs on KwaiChat reveals that GPT-4o achieves the best performance but still cannot perform well in this situation even with the help of in-context learning and fine-tuning, which indicates that the task is not trivial and needs further research.
opXRD: Open Experimental Powder X-ray Diffraction Database
Hollarek, Daniel, Schopmans, Henrik, รstreicher, Jona, Teufel, Jonas, Cao, Bin, Alwen, Adie, Schweidler, Simon, Singh, Mriganka, Kodalle, Tim, Hu, Hanlin, Heymans, Gregoire, Abdelsamie, Maged, Hardiagon, Arthur, Wieczorek, Alexander, Zhuk, Siarhei, Schwaiger, Ruth, Siol, Sebastian, Coudert, Franรงois-Xavier, Wolf, Moritz, Sutter-Fella, Carolin M., Breitung, Ben, Hodge, Andrea M., Zhang, Tong-yi, Friederich, Pascal
Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a bottleneck in high-throughput discovery in self-driving labs. Machine learning promises to resolve this bottleneck by enabling automated powder diffraction analysis. A notable difficulty in applying machine learning to this domain is the lack of sufficiently sized experimental datasets, which has constrained researchers to train primarily on simulated data. However, models trained on simulated pXRD patterns showed limited generalization to experimental patterns, particularly for low-quality experimental patterns with high noise levels and elevated backgrounds. With the Open Experimental Powder X-Ray Diffraction Database (opXRD), we provide an openly available and easily accessible dataset of labeled and unlabeled experimental powder diffractograms. Labeled opXRD data can be used to evaluate the performance of models on experimental data and unlabeled opXRD data can help improve the performance of models on experimental data, e.g. through transfer learning methods. We collected 92552 diffractograms, 2179 of them labeled, from a wide spectrum of materials classes. We hope this ongoing effort can guide machine learning research toward fully automated analysis of pXRD data and thus enable future self-driving materials labs.
Enhanced Multi-Tuple Extraction for Alloys: Integrating Pointer Networks and Augmented Attention
Hei, Mengzhe, Zhang, Zhouran, Liu, Qingbao, Pan, Yan, Zhao, Xiang, Peng, Yongqian, Ye, Yicong, Zhang, Xin, Bai, Shuxin
Extracting high-quality structured information from scientific literature is crucial for advancing material design through data-driven methods. Despite the considerable research in natural language processing for dataset extraction, effective approaches for multi-tuple extraction in scientific literature remain scarce due to the complex interrelations of tuples and contextual ambiguities. In the study, we illustrate the multi-tuple extraction of mechanical properties from multi-principal-element alloys and presents a novel framework that combines an entity extraction model based on MatSciBERT with pointer networks and an allocation model utilizing inter- and intra-entity attention. Our rigorous experiments on tuple extraction demonstrate impressive F1 scores of 0.963, 0.947, 0.848, and 0.753 across datasets with 1, 2, 3, and 4 tuples, confirming the effectiveness of the model. Furthermore, an F1 score of 0.854 was achieved on a randomly curated dataset. These results highlight the model's capacity to deliver precise and structured information, offering a robust alternative to large language models and equipping researchers with essential data for fostering data-driven innovations.
Learning and discovering multiple solutions using physics-informed neural networks with random initialization and deep ensemble
Zou, Zongren, Wang, Zhicheng, Karniadakis, George Em
We explore the capability of physics-informed neural networks (PINNs) to discover multiple solutions. Many real-world phenomena governed by nonlinear differential equations (DEs), such as fluid flow, exhibit multiple solutions under the same conditions, yet capturing this solution multiplicity remains a significant challenge. A key difficulty is giving appropriate initial conditions or initial guesses, to which the widely used time-marching schemes and Newton's iteration method are very sensitive in finding solutions for complex computational problems. While machine learning models, particularly PINNs, have shown promise in solving DEs, their ability to capture multiple solutions remains underexplored. In this work, we propose a simple and practical approach using PINNs to learn and discover multiple solutions. We first reveal that PINNs, when combined with random initialization and deep ensemble method -- originally developed for uncertainty quantification -- can effectively uncover multiple solutions to nonlinear ordinary and partial differential equations (ODEs/PDEs). Our approach highlights the critical role of initialization in shaping solution diversity, addressing an often-overlooked aspect of machine learning for scientific computing. Furthermore, we propose utilizing PINN-generated solutions as initial conditions or initial guesses for conventional numerical solvers to enhance accuracy and efficiency in capturing multiple solutions. Extensive numerical experiments, including the Allen-Cahn equation and cavity flow, where our approach successfully identifies both stable and unstable solutions, validate the effectiveness of our method. These findings establish a general and efficient framework for addressing solution multiplicity in nonlinear differential equations.
Low-Confidence Gold: Refining Low-Confidence Samples for Efficient Instruction Tuning
Cai, Hongyi, Li, Jie, Dong, Wenzhen
The effectiveness of instruction fine-tuning for Large Language Models is fundamentally constrained by the quality and efficiency of training datasets. This work introduces Low-Confidence Gold (LCG), a novel filtering framework that employs centroid-based clustering and confidence-guided selection for identifying valuable instruction pairs. Through a semi-supervised approach using a lightweight classifier trained on representative samples, LCG curates high-quality subsets while preserving data diversity. Experimental evaluation demonstrates that models fine-tuned on LCG-filtered subsets of 6K samples achieve superior performance compared to existing methods, with substantial improvements on MT-bench and consistent gains across comprehensive evaluation metrics. The framework's efficacy while maintaining model performance establishes a promising direction for efficient instruction tuning.
Exclusion Zones of Instant Runoff Voting
Tomlinson, Kiran, Ugander, Johan, Kleinberg, Jon
Recent research on instant runoff voting (IRV) shows that it exhibits a striking combinatorial property in one-dimensional preference spaces: there is an "exclusion zone" around the median voter such that if a candidate from the exclusion zone is on the ballot, then the winner must come from the exclusion zone. Thus, in one dimension, IRV cannot elect an extreme candidate as long as a sufficiently moderate candidate is running. In this work, we examine the mathematical structure of exclusion zones as a broad phenomenon in more general preference spaces. We prove that with voters uniformly distributed over any $d$-dimensional hyperrectangle (for $d > 1$), IRV has no nontrivial exclusion zone. However, we also show that IRV exclusion zones are not solely a one-dimensional phenomenon. For irregular higher-dimensional preference spaces with fewer symmetries than hyperrectangles, IRV can exhibit nontrivial exclusion zones. As a further exploration, we study IRV exclusion zones in graph voting, where nodes represent voters who prefer candidates closer to them in the graph. Here, we show that IRV exclusion zones present a surprising computational challenge: even checking whether a given set of positions is an IRV exclusion zone is NP-hard. We develop an efficient randomized approximation algorithm for checking and finding exclusion zones. We also report on computational experiments with exclusion zones in two directions: (i) applying our approximation algorithm to a collection of real-world school friendship networks, we find that about 60% of these networks have probable nontrivial IRV exclusion zones; and (ii) performing an exhaustive computer search of small graphs and trees, we also find nontrivial IRV exclusion zones in most graphs. While our focus is on IRV, the properties of exclusion zones we establish provide a novel method for analyzing voting systems in metric spaces more generally.