Energy
Synthesize, Partition, then Adapt: Eliciting Diverse Samples from Foundation Models
Wen, Yeming, Chaudhuri, Swarat
Presenting users with diverse responses from foundation models is crucial for enhancing user experience and accommodating varying preferences. However, generating multiple high-quality and diverse responses without sacrificing accuracy remains a challenge, especially when using greedy sampling. In this work, we propose a novel framework, Synthesize-Partition-Adapt (SPA), that leverages the abundant synthetic data available in many domains to elicit diverse responses from foundation models. By leveraging signal provided by data attribution methods such as influence functions, SPA partitions data into subsets, each targeting unique aspects of the data, and trains multiple model adaptations optimized for these subsets. Experimental results demonstrate the effectiveness of our approach in diversifying foundation model responses while maintaining high quality, showcased through the HumanEval and MBPP tasks in the code generation domain and several tasks in the natural language understanding domain, highlighting its potential to enrich user experience across various applications.
Research on fault diagnosis of nuclear power first-second circuit based on hierarchical multi-granularity classification network
Chen, Jiangwen, Li, Siwei, Jiang, Guo, Dongzhen, Cheng, Hua, Lin, Wei, Wang
The safe and reliable operation of complex electromechanical systems in nuclear power plants is crucial for the safe production of nuclear power plants and their nuclear power unit. Therefore, accurate and timely fault diagnosis of nuclear power systems is of great significance for ensuring the safe and reliable operation of nuclear power plants. The existing fault diagnosis methods mainly target a single device or subsystem, making it difficult to analyze the inherent connections and mutual effects between different types of faults at the entire unit level. This article uses the AP1000 full-scale simulator to simulate the important mechanical component failures of some key systems in the primary and secondary circuits of nuclear power units, and constructs a fault dataset. Meanwhile, a hierarchical multi granularity classification fault diagnosis model based on the EfficientNet large model is proposed, aiming to achieve hierarchical classification of nuclear power faults. The results indicate that the proposed fault diagnosis model can effectively classify faults in different circuits and system components of nuclear power units into hierarchical categories. However, the fault dataset in this study was obtained from a simulator, which may introduce additional information due to parameter redundancy, thereby affecting the diagnostic performance of the model.
Predicting ionic conductivity in solids from the machine-learned potential energy landscape
Maevskiy, Artem, Carvalho, Alexandra, Sataev, Emil, Turchyna, Volha, Noori, Keian, Rodin, Aleksandr, Neto, A. H. Castro, Ustyuzhanin, Andrey
Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batteries with liquid electrolytes. Conventional computational methods for identifying such materials are resource-intensive and not easily scalable. Recently, universal interatomic potential models have been developed using equivariant graph neural networks. These models are trained on extensive datasets of first-principles force and energy calculations. One can achieve significant computational advantages by leveraging them as the foundation for traditional methods of assessing the ionic conductivity, such as molecular dynamics or nudged elastic band techniques. However, the generalization error from model inference on diverse atomic structures arising in such calculations can compromise the reliability of the results. In this work, we propose an approach for the quick and reliable evaluation of ionic conductivity through the analysis of a universal interatomic potential. Our method incorporates a set of heuristic structure descriptors that effectively employ the rich knowledge of the underlying model while requiring minimal generalization capabilities. Using our descriptors, we rank lithium-containing materials in the Materials Project database according to their expected ionic conductivity. Eight out of the ten highest-ranked materials are confirmed to be superionic at room temperature in first-principles calculations. Notably, our method achieves a speed-up factor of approximately 50 compared to molecular dynamics driven by a machine-learning potential, and is at least 3,000 times faster compared to first-principles molecular dynamics.
Capturing research literature attitude towards Sustainable Development Goals: an LLM-based topic modeling approach
Invernici, Francesco, Curati, Francesca, Jakimov, Jelena, Samavi, Amirhossein, Bernasconi, Anna
The world is facing a multitude of challenges that hinder the development of human civilization and the well-being of humanity on the planet. The Sustainable Development Goals (SDGs) were formulated by the United Nations in 2015 to address these global challenges by 2030. Natural language processing techniques can help uncover discussions on SDGs within research literature. We propose a completely automated pipeline to 1) fetch content from the Scopus database and prepare datasets dedicated to five groups of SDGs; 2) perform topic modeling, a statistical technique used to identify topics in large collections of textual data; and 3) enable topic exploration through keywords-based search and topic frequency time series extraction. For topic modeling, we leverage the stack of BERTopic scaled up to be applied on large corpora of textual documents (we find hundreds of topics on hundreds of thousands of documents), introducing i) a novel LLM-based embeddings computation for representing scientific abstracts in the continuous space and ii) a hyperparameter optimizer to efficiently find the best configuration for any new big datasets. We additionally produce the visualization of results on interactive dashboards reporting topics' temporal evolution. Results are made inspectable and explorable, contributing to the interpretability of the topic modeling process. Our proposed LLM-based topic modeling pipeline for big-text datasets allows users to capture insights on the evolution of the attitude toward SDGs within scientific abstracts in the 2006-2023 time span. All the results are reproducible by using our system; the workflow can be generalized to be applied at any point in time to any big corpus of textual documents.
GLinSAT: The General Linear Satisfiability Neural Network Layer By Accelerated Gradient Descent
Zeng, Hongtai, Yang, Chao, Zhou, Yanzhen, Yang, Cheng, Guo, Qinglai
Ensuring that the outputs of neural networks satisfy specific constraints is crucial for applying neural networks to real-life decision-making problems. In this paper, we consider making a batch of neural network outputs satisfy bounded and general linear constraints. We first reformulate the neural network output projection problem as an entropy-regularized linear programming problem. We show that such a problem can be equivalently transformed into an unconstrained convex optimization problem with Lipschitz continuous gradient according to the duality theorem. Then, based on an accelerated gradient descent algorithm with numerical performance enhancement, we present our architecture, GLinSAT, to solve the problem. To the best of our knowledge, this is the first general linear satisfiability layer in which all the operations are differentiable and matrix-factorization-free. Despite the fact that we can explicitly perform backpropagation based on automatic differentiation mechanism, we also provide an alternative approach in GLinSAT to calculate the derivatives based on implicit differentiation of the optimality condition. Experimental results on constrained traveling salesman problems, partial graph matching with outliers, predictive portfolio allocation and power system unit commitment demonstrate the advantages of GLinSAT over existing satisfiability layers. Our implementation is available at \url{https://github.com/HunterTracer/GLinSAT}.
Non-overlapping, Schwarz-type Domain Decomposition Method for Physics and Equality Constrained Artificial Neural Networks
Hu, Qifeng, Basir, Shamsulhaq, Senocak, Inanc
We present a non-overlapping, Schwarz-type domain decomposition method with a generalized interface condition, designed for physics-informed machine learning of partial differential equations (PDEs) in both forward and inverse contexts. Our approach employs physics and equality-constrained artificial neural networks (PECANN) within each subdomain. Unlike the original PECANN method, which relies solely on initial and boundary conditions to constrain PDEs, our method uses both boundary conditions and the governing PDE to constrain a unique interface loss function for each subdomain. This modification improves the learning of subdomain-specific interface parameters while reducing communication overhead by delaying information exchange between neighboring subdomains. To address the constrained optimization in each subdomain, we apply an augmented Lagrangian method with a conditionally adaptive update strategy, transforming the problem into an unconstrained dual optimization. A distinct advantage of our domain decomposition method is its ability to learn solutions to both Poisson's and Helmholtz equations, even in cases with high-wavenumber and complex-valued solutions. Through numerical experiments with up to 64 subdomains, we demonstrate that our method consistently generalizes well as the number of subdomains increases.
Solving the 2D Advection-Diffusion Equation using Fixed-Depth Symbolic Regression and Symbolic Differentiation without Expression Trees
This paper presents a novel method for solving the 2D advection-diffusion equation using fixed-depth symbolic regression and symbolic differentiation without expression trees. The method is applied to two cases with distinct initial and boundary conditions, demonstrating its accuracy and ability to find approximate solutions efficiently. This framework offers a promising, scalable solution for finding approximate solutions to differential equations, with the potential for future improvements in computational performance and applicability to more complex systems involving vector-valued objectives.
Thermodynamically-Informed Iterative Neural Operators for Heterogeneous Elastic Localization
Kelly, Conlain, Kalidindi, Surya R.
Engineering problems frequently require solution of governing equations with spatially-varying discontinuous coefficients. Even for linear elliptic problems, mapping large ensembles of coefficient fields to solutions can become a major computational bottleneck using traditional numerical solvers. Furthermore, machine learning methods such as neural operators struggle to fit these maps due to sharp transitions and high contrast in the coefficient fields and a scarcity of informative training data. In this work, we focus on a canonical problem in computational mechanics: prediction of local elastic deformation fields over heterogeneous material structures subjected to periodic boundary conditions. We construct a hybrid approximation for the coefficient-to-solution map using a Thermodynamically-informed Iterative Neural Operator (TherINO). Rather than using coefficient fields as direct inputs and iterating over a learned latent space, we employ thermodynamic encodings -- drawn from the constitutive equations -- and iterate over the solution space itself. Through an extensive series of case studies, we elucidate the advantages of these design choices in terms of efficiency, accuracy, and flexibility. We also analyze the model's stability and extrapolation properties on out-of-distribution coefficient fields and demonstrate an improved speed-accuracy tradeoff for predicting elastic quantities of interest.
Field Insights for Portable Vine Robots in Urban Search and Rescue
McFarland, Ciera, Dhawan, Ankush, Kumari, Riya, Council, Chad, Coad, Margaret, Hanson, Nathaniel
Soft, growing vine robots are well-suited for exploring cluttered, unknown environments, and are theorized to be performant during structural collapse incidents caused by earthquakes, fires, explosions, and material flaws. These vine robots grow from the tip, enabling them to navigate rubble-filled passageways easily. State-of-the-art vine robots have been tested in archaeological and other field settings, but their translational capabilities to urban search and rescue (USAR) are not well understood. To this end, we present a set of experiments designed to test the limits of a vine robot system, the Soft Pathfinding Robotic Observation Unit (SPROUT), operating in an engineered collapsed structure. Our testing is driven by a taxonomy of difficulty derived from the challenges USAR crews face navigating void spaces and their associated hazards. Initial experiments explore the viability of the vine robot form factor, both ideal and implemented, as well as the control and sensorization of the system. A secondary set of experiments applies domain-specific design improvements to increase the portability and reliability of the system. SPROUT can grow through tight apertures, around corners, and into void spaces, but requires additional development in sensorization to improve control and situational awareness.
Flight Demonstration and Model Validation of a Prototype Variable-Altitude Venus Aerobot
Izraelevitz, Jacob S., Krishnamoorthy, Siddharth, Goel, Ashish, Turner, Caleb, Aiazzi, Carolina, Pauken, Michael, Carlson, Kevin, Walsh, Gerald, Leake, Carl, Quintana, Carlos, Lim, Christopher, Jain, Abhi, Dorsky, Leonard, Baines, Kevin, Cutts, James, Byrne, Paul K., Lachenmeier, Tim, Hall, Jeffery L.
This paper details a significant milestone towards maturing a buoyant aerial robotic platform, or aerobot, for flight in the Venus clouds. We describe two flights of our subscale altitude-controlled aerobot, fabricated from the materials necessary to survive Venus conditions. During these flights over the Nevada Black Rock desert, the prototype flew at the identical atmospheric densities as 54 to 55 km cloud layer altitudes on Venus. We further describe a first-principle aerobot dynamics model which we validate against the Nevada flight data and subsequently employ to predict the performance of future aerobots on Venus. The aerobot discussed in this paper is under JPL development for an in-situ mission flying multiple circumnavigations of Venus, sampling the chemical and physical properties of the planet's atmosphere and also remotely sensing surface properties.