Materials
Soft is Safe: Human-Robot Interaction for Soft Robots
S, Rajashekhar V, Prabhakar, Gowdham
With the presence of robots increasing in the society, the need for interacting with robots is becoming necessary. The field of Human-Robot Interaction (HRI) has emerged important since more repetitive and tiresome jobs are being done by robots. In the recent times, the field of soft robotics has seen a boom in the field of research and commercialization. The Industry 5.0 focuses on human robot collaboration which also spurs the field of soft robotics. However the HRI for soft robotics is still in the nascent stage. In this work we review and then discuss how HRI is done for soft robots. We first discuss the control, design, materials and manufacturing of soft robots. This will provide an understanding of what is being interacted with. Then we discuss about the various input and output modalities that are used in HRI. The applications where the HRI for soft robots are found in the literature are discussed in detail. Then the limitations of HRI for soft robots and various research opportunities that exist in this field are discussed in detail. It is concluded that there is a huge scope for development for HRI for soft robots.
Molecular Odor Prediction with Harmonic Modulated Feature Mapping and Chemically-Informed Loss
Xie, HongXin, Sun, JianDe, Shao, Yi, Li, Shuai, Hou, Sujuan, Sun, YuLong, Liu, Yuxiang
--Molecular odor prediction has great potential across diverse fields such as chemistry, pharmaceuticals, and environmental science, enabling the rapid design of new materials and enhancing environmental monitoring. However, current methods face two main challenges: First, existing models struggle with non-smooth objective functions and the complexity of mixed feature dimensions; Second, datasets suffer from severe label imbalance, which hampers model training, particularly in learning minority class labels. T o address these issues, we introduce a novel feature mapping method and a molecular ensemble optimization loss function. By incorporating feature importance learning and frequency modulation, our model adaptively adjusts the contribution of each feature, efficiently capturing the intricate relationship between molecular structures and odor descriptors. Our feature mapping preserves feature independence while enhancing the model's efficiency in utilizing molecular features through frequency modulation. Furthermore, the proposed loss function dynamically adjusts label weights, improves structural consistency, and strengthens label correlations, effectively addressing data imbalance and label co-occurrence challenges. Experimental results show that our method significantly can improves the accuracy of molecular odor prediction across various deep learning models, demonstrating its promising potential in molecular structure representation and chemoinformatics. Molecular odor prediction from structure is a critical task with diverse applications in fragrance design, chemical production, and environmental monitoring [1].
Harnessing Discrete Differential Geometry: A Virtual Playground for the Bilayer Soft Robotics
Li, Jiahao, Tong, Dezhong, Hao, Zhuonan, Zhu, Yinbo, Wu, Hengan, Liu, Mingchao, Huang, Weicheng
Robotics is the science of designing and constructing machines capable of movement, perception, and cognition to assist humans in performing various tasks. Inspired by living organisms, using soft matter in robot design has gained significant attention in recent decades. The inherent compliance of soft bodies allows them to adapt to complex environments, enabling innovative applications in fields such as healthcare, agriculture, and the food industry [1-10]. Given the potential of soft robots, various functional materials, such as liquid crystal elastomers, pneumatic actuators, and light-driven systems, have been explored as actuators due to their ability to deform in response to diverse external stimuli. However, the intrinsic compliance and nonlinearity of soft materials pose significant challenges in achieving precise and effective deformation control, which limits their practical effectiveness in real-world applications. A widely adopted approach to addressing this challenge is using bilayer structures in soft robot design. Inspired by natural phenomena such as the opening of pea pods, a bilayer structure consists of two layers--an top and a bottom layer--adhered at their interface [11], as illustrated in Figure 1A. When one layer undergoes expansion, a mismatch strain arises at the interface.
Machine Learning Models for Reinforced Concrete Pipes Condition Prediction: The State-of-the-Art Using Artificial Neural Networks and Multiple Linear Regression in a Wisconsin Case Study
Mohammadagha, Mohsen, Najafi, Mohammad, Kaushal, Vinayak, Jibreen, Ahmad Mahmoud Ahmad
The aging sewer infrastructure in the U.S., covering 2.1 million kilometers, encounters increasing structural issues, resulting in around 75,000 yearly sanitary sewer overflows that present serious economic, environmental, and public health hazards. Conventional inspection techniques and deterministic models do not account for the unpredictable nature of sewer decline, whereas probabilistic methods depend on extensive historical data, which is frequently lacking or incomplete. This research intends to enhance predictive accuracy for the condition of sewer pipelines through machine learning models artificial neural networks (ANNs) and multiple linear regression (MLR) by integrating factors such as pipe age, material, diameter, environmental influences, and PACP ratings. ANNs utilized ReLU activation functions and Adam optimization, whereas MLR applied regularization to address multicollinearity, with both models assessed through metrics like RMSE, MAE, and R2. The findings indicated that ANNs surpassed MLR, attaining an R2 of 0.9066 compared to MLRs 0.8474, successfully modeling nonlinear relationships while preserving generalization. MLR, on the other hand, offered enhanced interpretability by pinpointing significant predictors such as residual buildup. As a result, pipeline degradation is driven by pipe length, age, and pipe diameter as key predictors, while depth, soil type, and segment show minimal influence in this analysis. Future studies ought to prioritize hybrid models that merge the accuracy of ANNs with the interpretability of MLR, incorporating advanced methods such as SHAP analysis and transfer learning to improve scalability in managing infrastructure and promoting environmental sustainability.
MINDSTORES: Memory-Informed Neural Decision Synthesis for Task-Oriented Reinforcement in Embodied Systems
Chari, Anirudh, Reddy, Suraj, Tiwari, Aditya, Lian, Richard, Zhou, Brian
While large language models (LLMs) have shown promising capabilities as zero-shot planners for embodied agents, their inability to learn from experience and build persistent mental models limits their robustness in complex open-world environments like Minecraft. We introduce MINDSTORES, an experience-augmented planning framework that enables embodied agents to build and leverage mental models through natural interaction with their environment. Drawing inspiration from how humans construct and refine cognitive mental models, our approach extends existing zero-shot LLM planning by maintaining a database of past experiences that informs future planning iterations. The key innovation is representing accumulated experiences as natural language embeddings of (state, task, plan, outcome) tuples, which can then be efficiently retrieved and reasoned over by an LLM planner to generate insights and guide plan refinement for novel states and tasks. Through extensive experiments in the MineDojo environment, a simulation environment for agents in Minecraft that provides low-level controls for Minecraft, we find that MINDSTORES learns and applies its knowledge significantly better than existing memory-based LLM planners while maintaining the flexibility and generalization benefits of zero-shot approaches, representing an important step toward more capable embodied AI systems that can learn continuously through natural experience.
Reinforcement Learning on Reconfigurable Hardware: Overcoming Material Variability in Laser Material Processing
Masinelli, Giulio, Rajani, Chang, Hoffmann, Patrik, Wasmer, Kilian, Atienza, David
Ensuring consistent processing quality is challenging in laser processes due to varying material properties and surface conditions. Although some approaches have shown promise in solving this problem via automation, they often rely on predetermined targets or are limited to simulated environments. To address these shortcomings, we propose a novel real-time reinforcement learning approach for laser process control, implemented on a Field Programmable Gate Array to achieve real-time execution. Our experimental results from laser welding tests on stainless steel samples with a range of surface roughnesses validated the method's ability to adapt autonomously, without relying on reward engineering or prior setup information. Specifically, the algorithm learned the correct power profile for each unique surface characteristic, demonstrating significant improvements over hand-engineered optimal constant power strategies -- up to 23% better performance on rougher surfaces and 7% on mixed surfaces. This approach represents a significant advancement in automating and optimizing laser processes, with potential applications across multiple industries.
A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation
Solรฉ, รlex, Mosella-Montoro, Albert, Cardona, Joan, Gรณmez-Coca, Silvia, Aravena, Daniel, Ruiz, Eliseo, Ruiz-Hidalgo, Javier
In diffraction-based crystal structure analysis, thermal ellipsoids, quantified via Anisotropic Displacement Parameters (ADPs), are critical yet challenging to determine. ADPs capture atomic vibrations, reflecting thermal and structural properties, but traditional computation is often expensive. This paper introduces CartNet, a novel graph neural network (GNN) for efficiently predicting crystal properties by encoding atomic geometry into Cartesian coordinates alongside the crystal temperature. CartNet integrates a neighbour equalization technique to emphasize covalent and contact interactions, and a Cholesky-based head to ensure valid ADP predictions. We also propose a rotational SO(3) data augmentation strategy during training to handle unseen orientations. An ADP dataset with over 200,000 experimental crystal structures from the Cambridge Structural Database (CSD) was curated to validate the approach. CartNet significantly reduces computational costs and outperforms existing methods in ADP prediction by 10.87%, while delivering a 34.77% improvement over theoretical approaches. We further evaluated CartNet on other datasets covering formation energy, band gap, total energy, energy above the convex hull, bulk moduli, and shear moduli, achieving 7.71% better results on the Jarvis Dataset and 13.16% on the Materials Project Dataset. These gains establish CartNet as a state-of-the-art solution for diverse crystal property predictions. Project website and online demo: https://www.ee.ub.edu/cartnet
Constitutional Classifiers: Defending against Universal Jailbreaks across Thousands of Hours of Red Teaming
Sharma, Mrinank, Tong, Meg, Mu, Jesse, Wei, Jerry, Kruthoff, Jorrit, Goodfriend, Scott, Ong, Euan, Peng, Alwin, Agarwal, Raj, Anil, Cem, Askell, Amanda, Bailey, Nathan, Benton, Joe, Bluemke, Emma, Bowman, Samuel R., Christiansen, Eric, Cunningham, Hoagy, Dau, Andy, Gopal, Anjali, Gilson, Rob, Graham, Logan, Howard, Logan, Kalra, Nimit, Lee, Taesung, Lin, Kevin, Lofgren, Peter, Mosconi, Francesco, O'Hara, Clare, Olsson, Catherine, Petrini, Linda, Rajani, Samir, Saxena, Nikhil, Silverstein, Alex, Singh, Tanya, Sumers, Theodore, Tang, Leonard, Troy, Kevin K., Weisser, Constantin, Zhong, Ruiqi, Zhou, Giulio, Leike, Jan, Kaplan, Jared, Perez, Ethan
Large language models (LLMs) are vulnerable to universal jailbreaks--prompting strategies that systematically bypass model safeguards and enable users to carry out harmful processes that require many model interactions, like manufacturing illegal substances at scale. To defend against these attacks, we introduce Constitutional Classifiers: safeguards trained on synthetic data, generated by prompting LLMs with natural language rules (i.e., a constitution) specifying permitted and restricted content. In over 3,000 estimated hours of red teaming, no red teamer found a universal jailbreak that could extract information from an early classifier-guarded LLM at a similar level of detail to an unguarded model across most target queries. On automated evaluations, enhanced classifiers demonstrated robust defense against held-out domain-specific jailbreaks. These classifiers also maintain deployment viability, with an absolute 0.38% increase in production-traffic refusals and a 23.7% inference overhead. Our work demonstrates that defending against universal jailbreaks while maintaining practical deployment viability is tractable.
QMe14S, A Comprehensive and Efficient Spectral Dataset for Small Organic Molecules
Yuan, Mingzhi, Zou, Zihan, Hu, Wei
Developing machine learning protocols for molecular simulations requires comprehensive and efficient datasets. Here we introduce the QMe14S dataset, comprising 186,102 small organic molecules featuring 14 elements (H, B, C, N, O, F, Al, Si, P, S, Cl, As, Se, Br) and 47 functional groups. Using density functional theory at the B3LYP/TZVP level, we optimized the geometries and calculated properties including energy, atomic charge, atomic force, dipole moment, quadrupole moment, polarizability, octupole moment, first hyperpolarizability, and Hessian. At the same level, we obtained the harmonic IR, Raman and NMR spectra. Furthermore, we conducted ab initio molecular dynamics simulations to generate dynamic configurations and extract nonequilibrium properties, including energy, forces, and Hessians. By leveraging our E(3)-equivariant message-passing neural network (DetaNet), we demonstrated that models trained on QMe14S outperform those trained on the previously developed QM9S dataset in simulating molecular spectra. The QMe14S dataset thus serves as a comprehensive benchmark for molecular simulations, offering valuable insights into structure-property relationships.
WILDCHAT-50M: A Deep Dive Into the Role of Synthetic Data in Post-Training
Feuer, Benjamin, Hegde, Chinmay
Language model (LLM) post-training, from DPO to distillation, can refine behaviors and unlock new skills, but the open science supporting these post-training techniques is still in its infancy. One limiting factor has been the difficulty of conducting large-scale comparative analyses of synthetic data generating models and LLM judges. To close this gap, we introduce WILDCHAT-50M, the largest public chat dataset to date. We extend the existing WildChat dataset to include responses not only from GPT, but from over 50 different open-weight models, ranging in size from 0.5B to 104B parameters. We conduct an extensive comparative analysis and demonstrate the potential of this dataset by creating RE-WILD, our own public SFT mix, which outperforms the recent Tulu-3 SFT mixture from Allen AI with only 40% as many samples. Our dataset, samples and code are available at https://github.com/penfever/wildchat-50m.