New materials have long marked the civilization level, serving as an impetus for technological progress and societal transformation. The classic structure-property correlations were key of materials science and engineering. However, the knowledge of materials faces significant challenges in adapting to exclusively data-driven approaches for new material discovery. This perspective introduces the concepts of functional units (FUs) to fill the gap in understanding of material structure-property correlations and knowledge inheritance as the "composition-microstructure" paradigm transitions to a data-driven AI paradigm transitions. Firstly, we provide a bird's-eye view of the research paradigm evolution from early "process-structure-properties-performance" to contemporary data-driven AI new trend. Next, we highlight recent advancements in the characterization of functional units across diverse material systems, emphasizing their critical role in multiscale material design. Finally, we discuss the integration of functional units into the new AI-driven paradigm of materials science, addressing both opportunities and challenges in computational materials innovation.

Building an agent that can mimic human behavior patterns to accomplish various open-world tasks is a long-term goal. To enable agents to effectively learn behavioral patterns across diverse tasks, a key challenge lies in modeling the intricate relationships among observations, actions, and language. To this end, we propose Optimus-2, a novel Minecraft agent that incorporates a Multimodal Large Language Model (MLLM) for high-level planning, alongside a Goal-Observation-Action Conditioned Policy (GOAP) for low-level control. GOAP contains (1) an Action-guided Behavior Encoder that models causal relationships between observations and actions at each timestep, then dynamically interacts with the historical observation-action sequence, consolidating it into fixed-length behavior tokens, and (2) an MLLM that aligns behavior tokens with open-ended language instructions to predict actions auto-regressively. Moreover, we introduce a high-quality Minecraft Goal-Observation-Action (MGOA)} dataset, which contains 25,000 videos across 8 atomic tasks, providing about 30M goal-observation-action pairs. The automated construction method, along with the MGOA dataset, can contribute to the community's efforts to train Minecraft agents. Extensive experimental results demonstrate that Optimus-2 exhibits superior performance across atomic tasks, long-horizon tasks, and open-ended instruction tasks in Minecraft. Please see the project page at https://cybertronagent.github.io/Optimus-2.github.io/.

Ordinary electric woodworking tools are integrated into a multiple-object-aware augmented framework to assist operators in fabrication tasks. This study presents an advanced evaluation of the developed open-source fabrication software Augmented Carpentry (AC), focusing on the technical challenges, potential bottlenecks, and precision of the proposed system, which is designed to recognize both objects and tools. In the workflow, computer vision tools and sensors implement inside-out tracking techniques for the retrofitting tools. This method enables operators to perform precise saw-cutting and drilling tasks using computer-generated feedback. In the design and manufacturing process pipeline, manual fabrication tasks are performed directly from the computer-aided design environment, as computer numerical control machines are widely used in the timber construction industry. Traditional non-digital methods employing execution drawings, markings, and jigs can now be replaced, and manual labor can be directly integrated into the digital value chain. First, this paper introduces the developed methodology and explains its devices and functional phases in detail. Second, the fabrication methodology is evaluated by experimentally scanning the produced one-to-one scale mock-up elements and comparing the discrepancies with their respective three-dimensional execution models. Finally, improvements and limitations in the tool-aware fabrication process, as well as the potential impact of AC in the digital timber fabrication landscape, are discussed.

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.

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.

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.

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.

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.

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.

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.