Understanding and predicting polymer solubility in various solvents is critical for applications ranging from recycling to pharmaceutical formulation. This work presents a deep learning framework that predicts polymer solubility, expressed as weight percent (wt%), directly from SMILES representations of both polymers and solvents. A dataset of 8,049 polymer solvent pairs at 25 deg C was constructed from calibrated molecular dynamics simulations (Zhou et al., 2023), and molecular descriptors and fingerprints were combined into a 2,394 feature representation per sample. A fully connected neural network with six hidden layers was trained using the Adam optimizer and evaluated using mean squared error loss, achieving strong agreement between predicted and actual solubility values. Generalizability was demonstrated using experimentally measured data from the Materials Genome Project, where the model maintained high accuracy on 25 unseen polymer solvent combinations. These findings highlight the viability of SMILES based machine learning models for scalable solubility prediction and high-throughput solvent screening, supporting applications in green chemistry, polymer processing, and materials design.

Soft robots require directional control to navigate complex terrains. However, achieving such control often requires multiple actuators, which increases mechanical complexity, complicates control systems, and raises energy consumption. Here, we introduce an inchworm-inspired soft robot whose locomotion direction is controlled passively by patterned substrates. The robot employs a single rolled dielectric elastomer actuator, while groove patterns on a 3D-printed substrate guide its alignment and trajectory. Through systematic experiments, we demonstrate that varying groove angles enables precise control of locomotion direction without the need for complex actuation strategies. This groove-guided approach reduces energy consumption, simplifies robot design, and expands the applicability of bio-inspired soft robots in fields such as search and rescue, pipe inspection, and planetary exploration.

This research addresses the significant challenges of energy consumption and environmental impact in laser cutting by proposing novel deep learning (DL) methodologies to achieve energy reduction. Recognizing the current lack of adaptive control and the open-loop nature of CO2 laser suction pumps, this study utilizes closed-loop configurations that dynamically adjust pump power based on both the material being cut and the smoke level generated. To implement this adaptive system, diverse material classification methods are introduced, including techniques leveraging lens-less speckle sensing with a customized Convolutional Neural Network (CNN) and an approach using a USB camera with transfer learning via the pre-trained VGG16 CNN model. Furthermore, a separate DL model for smoke level detection is employed to simultaneously refine the pump's power output. This integration prompts the exhaust suction pump to automatically halt during inactive times and dynamically adjust power during operation, leading to experimentally proven and remarkable energy savings, with results showing a 20% to 50% reduction in the smoke suction pump's energy consumption, thereby contributing substantially to sustainable development in the manufacturing sector.

Accurate and efficient temperature prediction is critical for optimizing the preheating process of PET preforms in industrial microwave systems prior to blow molding. We propose a novel deep learning framework for generalized temperature prediction. Unlike traditional models that require extensive retraining for each material or design variation, our method introduces a data-efficient neural architecture that leverages transfer learning and model fusion to generalize across unseen scenarios. By pretraining specialized neural regressor on distinct conditions such as recycled PET heat capacities or varying preform geometries and integrating their representations into a unified global model, we create a system capable of learning shared thermal dynamics across heterogeneous inputs. The architecture incorporates skip connections to enhance stability and prediction accuracy. Our approach reduces the need for large simulation datasets while achieving superior performance compared to models trained from scratch. Experimental validation on two case studies material variability and geometric diversity demonstrates significant improvements in generalization, establishing a scalable ML-based solution for intelligent thermal control in manufacturing environments. Moreover, the approach highlights how data-efficient generalization strategies can extend to other industrial applications involving complex physical modeling with limited data.

Neural surrogates and operator networks for solving partial differential equation (PDE) problems have attracted significant research interest in recent years. However, most existing approaches are limited in their ability to generalize solutions across varying non-parametric geometric domains. In this work, we address this challenge in the context of Polyethylene Terephthalate (PET) bottle buckling analysis, a representative packaging design problem conventionally solved using computationally expensive finite element analysis (FEA). We introduce a hybrid DeepONet-Transolver framework that simultaneously predicts nodal displacement fields and the time evolution of reaction forces during top load compression. Our methodology is evaluated on two families of bottle geometries parameterized by two and four design variables. Training data is generated using nonlinear FEA simulations in Abaqus for 254 unique designs per family. The proposed framework achieves mean relative $L^{2}$ errors of 2.5-13% for displacement fields and approximately 2.4% for time-dependent reaction forces for the four-parameter bottle family. Point-wise error analyses further show absolute displacement errors on the order of $10^{-4}$-$10^{-3}$, with the largest discrepancies confined to localized geometric regions. Importantly, the model accurately captures key physical phenomena, such as buckling behavior, across diverse bottle geometries. These results highlight the potential of our framework as a scalable and computationally efficient surrogate, particularly for multi-task predictions in computational mechanics and applications requiring rapid design evaluation.

The widespread use of plastics and their persistence in the environment have led to the accumulation of micro- and nano-plastics across air, water, and soil, posing serious health risks including respiratory, gastrointestinal, and neurological disorders. We propose a novel framework that leverages large language models to extract relational metapaths, multi-hop semantic chains linking pollutant sources to health impacts, from scientific abstracts. Our system identifies and connects entities across diverse contexts to construct structured relational metapaths, which are aggregated into a Toxicity Trajectory Graph that traces pollutant propagation through exposure routes and biological systems. Moreover, to ensure consistency and reliability, we incorporate a dynamic evidence reconciliation module that resolves semantic conflicts arising from evolving or contradictory research findings. Our approach demonstrates strong performance in extracting reliable, high-utility relational knowledge from noisy scientific text and offers a scalable solution for mining complex cause-effect structures in domain-specific corpora.

Natural organisms utilize distributed actuation through their musculoskeletal systems to adapt their gait for traversing diverse terrains or to morph their bodies for varied tasks. A longstanding challenge in robotics is to emulate this capability of natural organisms, which has motivated the development of numerous soft robotic systems. However, such systems are generally optimized for a single functionality, lack the ability to change form or function on demand, or remain tethered to bulky control systems. To address these limitations, we present a framework for designing and controlling robots that utilize distributed actuation. We propose a novel building block that integrates 3D-printed bones with liquid crystal elastomer (LCE) muscles as lightweight actuators, enabling the modular assembly of musculoskeletal robots. We developed LCE rods that contract in response to infrared radiation, thereby providing localized, untethered control over the distributed skeletal network and producing global deformations of the robot. To fully capitalize on the extensive design space, we introduce two computational tools: one for optimizing the robot's skeletal graph to achieve multiple target deformations, and another for co-optimizing skeletal designs and control gaits to realize desired locomotion. We validate our framework by constructing several robots that demonstrate complex shape morphing, diverse control schemes, and environmental adaptability. Our system integrates advances in modular material building, untethered and distributed control, and computational design to introduce a new generation of robots that brings us closer to the capabilities of living organisms.

Microplastics, defined as plastic particles smaller than 5 millimeters, have become a pervasive environmental contaminant that accumulates on beaches due to wind patterns and tidal forcing. Detecting microplastics and mapping their concentration in the wild remains one of the primary challenges in addressing this environmental issue. This paper introduces a novel robotic platform that automatically detects and chemically analyzes microplastics on beach surfaces. This mobile manipulator system scans areas for microplastics using a camera mounted on the robotic arm's end effector. The system effectively segments candidate microplastic particles on sand surfaces even in the presence of organic matter such as leaves and clams. Once a candidate microplastic particle is detected, the system steers a near-infrared (NIR) spectroscopic sensor onto the particle using both NIR and visual feedback to chemically analyze it in real-time. Through experiments in lab and beach environments, the system is shown to achieve an excellent positional precision in manipulation control and high microplastic classification accuracy.

Large Language Models (LLMs) are capable of natural language understanding and generation. But they face challenges such as hallucination and outdated knowledge. Fine-tuning is one possible solution, but it is resource-intensive and must be repeated with every data update. Retrieval-Augmented Generation (RAG) offers an efficient solution by allowing LLMs to access external knowledge sources. However, traditional RAG pipelines struggle with retrieving information from complex technical documents with structured data such as tables and images. In this work, we propose a RAG pipeline, capable of handling tables and images in documents, for technical documents that support both scanned and searchable formats. Its retrieval process combines vector similarity search with a fine-tuned reranker based on Gemma-2-9b-it. The reranker is trained using RAFT (Retrieval-Augmented Fine-Tuning) on a custom dataset designed to improve context identification for question answering. Our evaluation demonstrates that the proposed pipeline achieves a high faithfulness score of 94% (RAGas) and 96% (DeepEval), and an answer relevancy score of 87% (RAGas) and 93% (DeepEval). Comparative analysis demonstrates that the proposed architecture is superior to general RAG pipelines in terms of table-based questions and handling questions outside context.

Neural network potentials (NNPs) offer a powerful alternative to traditional force fields for molecular dynamics (MD) simulations. Accurate and stable MD simulations, crucial for evaluating material properties, require training data encompassing both low-energy stable structures and high-energy structures. Conventional knowledge distillation (KD) methods fine-tune a pre-trained NNP as a teacher model to generate training data for a student model. However, in material-specific models, this fine-tuning process increases energy barriers, making it difficult to create training data containing high-energy structures. To address this, we propose a novel KD framework that leverages a non-fine-tuned, off-the-shelf pre-trained NNP as a teacher. Its gentler energy landscape facilitates the exploration of a wider range of structures, including the high-energy structures crucial for stable MD simulations. Our framework employs a two-stage training process: first, the student NNP is trained with a dataset generated by the off-the-shelf teacher; then, it is fine-tuned with a smaller, high-accuracy density functional theory (DFT) dataset. We demonstrate the effectiveness of our framework by applying it to both organic (polyethylene glycol) and inorganic (L$_{10}$GeP$_{2}$S$_{12}$) materials, achieving comparable or superior accuracy in reproducing physical properties compared to existing methods. Importantly, our method reduces the number of expensive DFT calculations by 10x compared to existing NNP generation methods, without sacrificing accuracy. Furthermore, the resulting student NNP achieves up to 106x speedup in inference compared to the teacher NNP, enabling significantly faster and more efficient MD simulations.