Energy
Embodying mechano-fluidic memory in soft machines to program behaviors upon interactions
Comoretto, Alberto, Mandke, Tanaya, Overvelde, Johannes T. B.
Soft machines display shape adaptation to external circumstances due to their intrinsic compliance. To achieve increasingly more responsive behaviors upon interactions without relying on centralized computation, embodying memory directly in the machines' structure is crucial. Here, we harness the bistability of elastic shells to alter the fluidic properties of an enclosed cavity, thereby switching between stable frequency states of a locomoting self-oscillating machine. To program these memory states upon interactions, we develop fluidic circuits surrounding the bistable shell, with soft tubes that kink and unkink when externally touched. We implement circuits for both long-term and short-term memory in a soft machine that switches behaviors in response to a human user and that autonomously changes direction after detecting a wall. By harnessing only geometry and elasticity, embodying memory allows physical structures without a central brain to exhibit autonomous feats that are typically reserved for computer-based robotic systems.
Physics-Based Hybrid Machine Learning for Critical Heat Flux Prediction with Uncertainty Quantification
Furlong, Aidan, Zhao, Xingang, Salko, Robert, Wu, Xu
Critical heat flux is a key quantity in boiling system modeling due to its impact on heat transfer and component temperature and performance. This study investigates the development and validation of an uncertainty-aware hybrid modeling approach that combines machine learning with physics-based models in the prediction of critical heat flux in nuclear reactors for cases of dryout. Two empirical correlations, Biasi and Bowring, were employed with three machine learning uncertainty quantification techniques: deep neural network ensembles, Bayesian neural networks, and deep Gaussian processes. A pure machine learning model without a base model served as a baseline for comparison. This study examines the performance and uncertainty of the models under both plentiful and limited training data scenarios using parity plots, uncertainty distributions, and calibration curves. The results indicate that the Biasi hybrid deep neural network ensemble achieved the most favorable performance (with a mean absolute relative error of 1.846% and stable uncertainty estimates), particularly in the plentiful data scenario. The Bayesian neural network models showed slightly higher error and uncertainty but superior calibration. By contrast, deep Gaussian process models underperformed by most metrics. All hybrid models outperformed pure machine learning configurations, demonstrating resistance against data scarcity.
High-fidelity Multiphysics Modelling for Rapid Predictions Using Physics-informed Parallel Neural Operator
Yuan, Biao, Wang, He, Song, Yanjie, Heitor, Ana, Chen, Xiaohui
Modelling complex multiphysics systems governed by nonlinear and strongly coupled partial differential equations (PDEs) is a cornerstone in computational science and engineering. However, it remains a formidable challenge for traditional numerical solvers due to high computational cost, making them impractical for large-scale applications. Neural operators' reliance on data-driven training limits their applicability in real-world scenarios, as data is often scarce or expensive to obtain. Here, we propose a novel paradigm, physics-informed parallel neural operator (PIPNO), a scalable and unsupervised learning framework that enables data-free PDE modelling by leveraging only governing physical laws. The parallel kernel integration design, incorporating ensemble learning, significantly enhances both compatibility and computational efficiency, enabling scalable operator learning for nonlinear and strongly coupled PDEs. PIPNO efficiently captures nonlinear operator mappings across diverse physics, including geotechnical engineering, material science, electromagnetism, quantum mechanics, and fluid dynamics. The proposed method achieves high-fidelity and rapid predictions, outperforming existing operator learning approaches in modelling nonlinear and strongly coupled multiphysics systems. Therefore, PIPNO offers a powerful alternative to conventional solvers, broadening the applicability of neural operators for multiphysics modelling while ensuring efficiency, robustness, and scalability.
Image-Based Roadmaps for Vision-Only Planning and Control of Robotic Manipulators
Chatterjee, Sreejani, Gandhi, Abhinav, Calli, Berk, Chamzas, Constantinos
--This work presents a motion planning framework for robotic manipulators that computes collision-free paths directly in image space. The generated paths can then be tracked using vision-based control, eliminating the need for an explicit robot model or proprioceptive sensing. At the core of our approach is the construction of a roadmap entirely in image space. T o achieve this, we explicitly define sampling, nearest-neighbor selection, and collision checking based on visual features rather than geometric models. We first collect a set of image-space samples by moving the robot within its workspace, capturing keypoints along its body at different configurations. These samples serve as nodes in the roadmap, which we construct using either learned or predefined distance metrics. At runtime, the roadmap generates collision-free paths directly in image space, removing the need for a robot model or joint encoders. We validate our approach through an experimental study in which a robotic arm follows planned paths using an adaptive vision-based control scheme to avoid obstacles. The results show that paths generated with the learned-distance roadmap achieved 100% success in control convergence, whereas the predefined image-space distance roadmap enabled faster transient responses but had a lower success rate in convergence. Vision-based control techniques [1], [2], offer significant advantages for robotic manipulators in unstructured and cluttered environments by enabling closed-loop control using task-relevant visual information.
Agentic Mixture-of-Workflows for Multi-Modal Chemical Search
Callahan, Tiffany J., Park, Nathaniel H., Capponi, Sara
The vast and complex materials design space demands innovative strategies to integrate multidisciplinary scientific knowledge and optimize materials discovery. While large language models (LLMs) have demonstrated promising reasoning and automation capabilities across various domains, their application in materials science remains limited due to a lack of benchmarking standards and practical implementation frameworks. To address these challenges, we introduce Mixture-of-Workflows for Self-Corrective Retrieval-Augmented Generation (CRAG-MoW) - a novel paradigm that orchestrates multiple agentic workflows employing distinct CRAG strategies using open-source LLMs. Unlike prior approaches, CRAG-MoW synthesizes diverse outputs through an orchestration agent, enabling direct evaluation of multiple LLMs across the same problem domain. We benchmark CRAG-MoWs across small molecules, polymers, and chemical reactions, as well as multi-modal nuclear magnetic resonance (NMR) spectral retrieval. Our results demonstrate that CRAG-MoWs achieve performance comparable to GPT-4o while being preferred more frequently in comparative evaluations, highlighting the advantage of structured retrieval and multi-agent synthesis. By revealing performance variations across data types, CRAG-MoW provides a scalable, interpretable, and benchmark-driven approach to optimizing AI architectures for materials discovery. These insights are pivotal in addressing fundamental gaps in benchmarking LLMs and autonomous AI agents for scientific applications.
Sparkle: A Statistical Learning Toolkit for High-Dimensional Hawkes Processes in Python
This paper introduce the Python package Sparklen (see Lacoste (2025)), which implements a complete set of statistical learning methods for exponential Hawkes processes with an emphasize on high-dimension setting. Hawkes processes, introduced in Hawkes (1971), form a specific but rather versatile class of point processes. Such processes model time series in which the occurrence of one event temporarily increases the probability of other events occurring. This intrinsic ability to take into account self-exciting effects makes them particularly interesting for real data modeling. Historically applied in seismology (see Ogata (1988)), they have since been used in a wide variety of other fields, including neuroscience in Reynaud-Bouret, Rivoirard, and Tuleau-Malot (2013), finance in Bacry, Mastromatteo, and Muzy (2015), ecology in Denis, Dion-Blanc, Lacoste, Sansonnet, and Bas (2024). The multidimensional version, known as the Multivariate Hawkes Processes (MHP), captures additionally interactions among each univariate process within a network. This generalization enables the modeling of more intricate dynamics, significantly expanding the range of potential applications. For example, MHP has been applied to model action potentials within neural networks in Bonnet, Dion-Blanc, Gindraud, and Lemler (2022), or for trend detection in social networks in Pinto, Chahed, and Altman (2015).
Can RLHF be More Efficient with Imperfect Reward Models? A Policy Coverage Perspective
Huang, Jiawei, Li, Bingcong, Dann, Christoph, He, Niao
Sample efficiency is critical for online Reinforcement Learning from Human Feedback (RLHF). While existing works investigate sample-efficient online exploration strategies, the potential of utilizing misspecified yet relevant reward models to accelerate learning remains underexplored. This paper studies how to transfer knowledge from those imperfect reward models in online RLHF. We start by identifying a novel property of the KL-regularized RLHF objective: \emph{a policy's ability to cover the optimal policy is captured by its sub-optimality}. Building on this insight, we propose a theoretical transfer learning algorithm with provable benefits compared to standard online learning. Our approach achieves low regret in the early stage by quickly adapting to the best available source reward models without prior knowledge of their quality, and over time, it attains an $\tilde{O}(\sqrt{T})$ regret bound \emph{independent} of structural complexity measures. Inspired by our theoretical findings, we develop an empirical algorithm with improved computational efficiency, and demonstrate its effectiveness empirically in summarization tasks.
Constructing balanced datasets for predicting failure modes in structural systems under seismic hazards
Accurate prediction of structural failure modes under seismic excitations is essential for seismic risk and resilience assessment. Traditional simulation-based approaches often result in imbalanced datasets dominated by non-failure or frequently observed failure scenarios, limiting the effectiveness in machine learning-based prediction. To address this challenge, this study proposes a framework for constructing balanced datasets that include distinct failure modes. The framework consists of three key steps. First, critical ground motion features (GMFs) are identified to effectively represent ground motion time histories. Second, an adaptive algorithm is employed to estimate the probability densities of various failure domains in the space of critical GMFs and structural parameters. Third, samples generated from these probability densities are transformed into ground motion time histories by using a scaling factor optimization process. A balanced dataset is constructed by performing nonlinear response history analyses on structural systems with parameters matching the generated samples, subjected to corresponding transformed ground motion time histories. Deep neural network models are trained on balanced and imbalanced datasets to highlight the importance of dataset balancing. To further evaluate the framework's applicability, numerical investigations are conducted using two different structural models subjected to recorded and synthetic ground motions. The results demonstrate the framework's robustness and effectiveness in addressing dataset imbalance and improving machine learning performance in seismic failure mode prediction.
BeamVQ: Beam Search with Vector Quantization to Mitigate Data Scarcity in Physical Spatiotemporal Forecasting
Wang, Weiyan, Shi, Xingjian, Shu, Ruiqi, Gao, Yuan, Chen, Rui Ray, Wang, Kun, Xu, Fan, Xue, Jinbao, Li, Shuaipeng, Tao, Yangyu, Wang, Di, Wu, Hao, Huang, Xiaomeng
In practice, physical spatiotemporal forecasting can suffer from data scarcity, because collecting large-scale data is non-trivial, especially for extreme events. Hence, we propose \method{}, a novel probabilistic framework to realize iterative self-training with new self-ensemble strategies, achieving better physical consistency and generalization on extreme events. Following any base forecasting model, we can encode its deterministic outputs into a latent space and retrieve multiple codebook entries to generate probabilistic outputs. Then BeamVQ extends the beam search from discrete spaces to the continuous state spaces in this field. We can further employ domain-specific metrics (e.g., Critical Success Index for extreme events) to filter out the top-k candidates and develop the new self-ensemble strategy by combining the high-quality candidates. The self-ensemble can not only improve the inference quality and robustness but also iteratively augment the training datasets during continuous self-training. Consequently, BeamVQ realizes the exploration of rare but critical phenomena beyond the original dataset. Comprehensive experiments on different benchmarks and backbones show that BeamVQ consistently reduces forecasting MSE (up to 39%), enhancing extreme events detection and proving its effectiveness in handling data scarcity.
Assessing Autonomous Inspection Regimes: Active Versus Passive Satellite Inspection
Aurand, Joshua, Pang, Christopher, Mokhtar, Sina, Lei, Henry, Cutlip, Steven, Phillips, Sean
This paper addresses the problem of satellite inspection, where one or more satellites (inspectors) are tasked with imaging or inspecting a resident space object (RSO) due to potential malfunctions or anomalies. Inspection strategies are often reduced to a discretized action space with predefined waypoints, facilitating tractability in both classical optimization and machine learning based approaches. However, this discretization can lead to suboptimal guidance in certain scenarios. This study presents a comparative simulation to explore the tradeoffs of passive versus active strategies in multi-agent missions. Key factors considered include RSO dynamic mode, state uncertainty, unmodeled entrance criteria, and inspector motion types. The evaluation is conducted with a focus on fuel utilization and surface coverage. Building on a Monte-Carlo based evaluator of passive strategies and a reinforcement learning framework for training active inspection policies, this study investigates conditions under which passive strategies, such as Natural Motion Circumnavigation (NMC), may perform comparably to active strategies like Reinforcement Learning based waypoint transfers.