Energy
A spatiotemporal deep learning framework for prediction of crack dynamics in heterogeneous solids: efficient mapping of concrete microstructures to its fracture properties
Koopas, Rasoul Najafi, Rezaei, Shahed, Rauter, Natalie, Ostwald, Richard, Lammering, Rolf
A spatiotemporal deep learning framework is proposed that is capable of 2D full-field prediction of fracture in concrete mesostructures. This framework not only predicts fractures but also captures the entire history of the fracture process, from the crack initiation in the interfacial transition zone to the subsequent propagation of the cracks in the mortar matrix. In addition, a convolutional neural network is developed which can predict the averaged stress-strain curve of the mesostructures. The UNet modeling framework, which comprises an encoder-decoder section with skip connections, is used as the deep learning surrogate model. Training and test data are generated from high-fidelity fracture simulations of randomly generated concrete mesostructures. These mesostructures include geometric variabilities such as different aggregate particle geometrical features, spatial distribution, and the total volume fraction of aggregates. The fracture simulations are carried out in Abaqus, utilizing the cohesive phase-field fracture modeling technique as the fracture modeling approach. In this work, to reduce the number of training datasets, the spatial distribution of three sets of material properties for three-phase concrete mesostructures, along with the spatial phase-field damage index, are fed to the UNet to predict the corresponding stress and spatial damage index at the subsequent step. It is shown that after the training process using this methodology, the UNet model is capable of accurately predicting damage on the unseen test dataset by using 470 datasets. Moreover, another novel aspect of this work is the conversion of irregular finite element data into regular grids using a developed pipeline. This approach allows for the implementation of less complex UNet architecture and facilitates the integration of phase-field fracture equations into surrogate models for future developments.
Hopfield Networks for Asset Allocation
Nicolini, Carlo, Gopalan, Monisha, Staiano, Jacopo, Lepri, Bruno
We present the first application of modern Hopfield networks to the problem of portfolio optimization. We performed an extensive study based on combinatorial purged cross-validation over several datasets and compared our results to both traditional and deep-learning-based methods for portfolio selection. Compared to state-of-the-art deep-learning methods such as Long-Short Term Memory networks and Transformers, we find that the proposed approach performs on par or better, while providing faster training times and better stability. Our results show that Modern Hopfield Networks represent a promising approach to portfolio optimization, allowing for an efficient, scalable, and robust solution for asset allocation, risk management, and dynamic rebalancing.
RL-augmented MPC Framework for Agile and Robust Bipedal Footstep Locomotion Planning and Control
Bang, Seung Hyeon, Jovรฉ, Carlos Arribalzaga, Sentis, Luis
RL-augmented MPC Framework for Agile and Robust Bipedal Footstep Locomotion Planning and Control Seung Hyeon Bang 1, Carlos Arribalzaga Jov e 1, 2, and Luis Sentis 1 Abstract -- This paper proposes an online bipedal footstep planning strategy that combines model predictive control (MPC) and reinforcement learning (RL) to achieve agile and robust bipedal maneuvers. While MPC-based foot placement controllers have demonstrated their effectiveness in achieving dynamic locomotion, their performance is often limited by the use of simplified models and assumptions. T o address this challenge, we develop a novel foot placement controller that leverages a learned policy to bridge the gap between the use of a simplified model and the more complex full-order robot system. Specifically, our approach employs a unique combination of an ALIP-based MPC foot placement controller for sub-optimal footstep planning and the learned policy for refining footstep adjustments, enabling the resulting footstep policy to capture the robot's whole-body dynamics effectively. We validate the effectiveness of our framework through a series of experiments using the full-body humanoid robot DRACO 3. The results demonstrate significant improvements in dynamic locomotion performance, including better tracking of a wide range of walking speeds, enabling reliable turning and traversing challenging terrains while preserving the robustness and stability of the walking gaits compared to the baseline ALIP-based MPC approach. I. INTRODUCTION Agile and robust bipedal locomotion is essential for humanoid robots to achieve human-level performance. One of the main challenges in achieving this is designing a footstep policy that enables bipeds to constantly adjust their planned footstep positions to maintain balance as well as to achieve more agile and fast maneuvers, even while traversing adverse environments, such as external disturbances or challenging terrains. In this paper, we present an RL-augmented MPC framework designed to generate a footstep policy for agile and robust bipedal locomotion.
Surrogate-guided optimization in quantum networks
Prielinger, Luise, Iรฑesta, รlvaro G., Vardoyan, Gayane
We propose an optimization algorithm to improve the design and performance of quantum communication networks. When physical architectures become too complex for analytical methods, numerical simulation becomes essential to study quantum network behavior. Although highly informative, these simulations involve complex numerical functions without known analytical forms, making traditional optimization techniques that assume continuity, differentiability, or convexity inapplicable. Additionally, quantum network simulations are computationally demanding, rendering global approaches like Simulated Annealing or genetic algorithms, which require extensive function evaluations, impractical. We introduce a more efficient optimization workflow using machine learning models, which serve as surrogates for a given objective function. We demonstrate the effectiveness of our approach by applying it to three well-known optimization problems in quantum networking: quantum memory allocation for multiple network nodes, tuning an experimental parameter in all physical links of a quantum entanglement switch, and finding efficient protocol settings within a large asymmetric quantum network. The solutions found by our algorithm consistently outperform those obtained with our baseline approaches -- Simulated Annealing and Bayesian optimization -- in the allotted time limit by up to 18\% and 20\%, respectively. Our framework thus allows for more comprehensive quantum network studies, integrating surrogate-assisted optimization with existing quantum network simulators.
Amman City, Jordan: Toward a Sustainable City from the Ground Up
The idea of smart cities (SCs) has gained substantial attention in recent years. The SC paradigm aims to improve citizens' quality of life and protect the city's environment. As we enter the age of next-generation SCs, it is important to explore all relevant aspects of the SC paradigm. In recent years, the advancement of Information and Communication Technologies (ICT) has produced a trend of supporting daily objects with smartness, targeting to make human life easier and more comfortable. The paradigm of SCs appears as a response to the purpose of building the city of the future with advanced features. SCs still face many challenges in their implementation, but increasingly more studies regarding SCs are implemented. Nowadays, different cities are employing SC features to enhance services or the residents quality of life. This work provides readers with useful and important information about Amman Smart City.
Reporting and Analysing the Environmental Impact of Language Models on the Example of Commonsense Question Answering with External Knowledge
Usmanova, Aida, Huang, Junbo, Banerjee, Debayan, Usbeck, Ricardo
Human-produced emissions are growing at an alarming rate, causing already observable changes in the climate and environment in general. Each year global carbon dioxide emissions hit a new record, and it is reported that 0.5% of total US greenhouse gas emissions are attributed to data centres as of 2021. The release of ChatGPT in late 2022 sparked social interest in Large Language Models (LLMs), the new generation of Language Models with a large number of parameters and trained on massive amounts of data. Currently, numerous companies are releasing products featuring various LLMs, with many more models in development and awaiting release. Deep Learning research is a competitive field, with only models that reach top performance attracting attention and being utilized. Hence, achieving better accuracy and results is often the first priority, while the model's efficiency and the environmental impact of the study are neglected. However, LLMs demand substantial computational resources and are very costly to train, both financially and environmentally. It becomes essential to raise awareness and promote conscious decisions about algorithmic and hardware choices. Providing information on training time, the approximate carbon dioxide emissions and power consumption would assist future studies in making necessary adjustments and determining the compatibility of available computational resources with model requirements. In this study, we infused T5 LLM with external knowledge and fine-tuned the model for Question-Answering task. Furthermore, we calculated and reported the approximate environmental impact for both steps. The findings demonstrate that the smaller models may not always be sustainable options, and increased training does not always imply better performance. The most optimal outcome is achieved by carefully considering both performance and efficiency factors.
EuroCropsML: A Time Series Benchmark Dataset For Few-Shot Crop Type Classification
Reuss, Joana, Macdonald, Jan, Becker, Simon, Richter, Lorenz, Kรถrner, Marco
We introduce EuroCropsML, an analysis-ready remote sensing machine learning dataset for time series crop type classification of agricultural parcels in Europe. It is the first dataset designed to benchmark transnational few-shot crop type classification algorithms that supports advancements in algorithmic development and research comparability. It comprises 706 683 multi-class labeled data points across 176 classes, featuring annual time series of per-parcel median pixel values from Sentinel-2 L1C data for 2021, along with crop type labels and spatial coordinates. Based on the open-source EuroCrops collection, EuroCropsML is publicly available on Zenodo.
Large Language Models for Anomaly Detection in Computational Workflows: from Supervised Fine-Tuning to In-Context Learning
Jin, Hongwei, Papadimitriou, George, Raghavan, Krishnan, Zuk, Pawel, Balaprakash, Prasanna, Wang, Cong, Mandal, Anirban, Deelman, Ewa
Anomaly detection in computational workflows is critical for ensuring system reliability and security. However, traditional rule-based methods struggle to detect novel anomalies. This paper leverages large language models (LLMs) for workflow anomaly detection by exploiting their ability to learn complex data patterns. Two approaches are investigated: 1) supervised fine-tuning (SFT), where pre-trained LLMs are fine-tuned on labeled data for sentence classification to identify anomalies, and 2) in-context learning (ICL) where prompts containing task descriptions and examples guide LLMs in few-shot anomaly detection without fine-tuning. The paper evaluates the performance, efficiency, generalization of SFT models, and explores zero-shot and few-shot ICL prompts and interpretability enhancement via chain-of-thought prompting. Experiments across multiple workflow datasets demonstrate the promising potential of LLMs for effective anomaly detection in complex executions.
COEFF-KANs: A Paradigm to Address the Electrolyte Field with KANs
Li, Xinhe, Feng, Zhuoying, Chen, Yezeng, Dai, Weichen, He, Zixu, Zhou, Yi, Jiao, Shuhong
To reduce the experimental validation workload for chemical researchers and accelerate the design and optimization of high-energy-density lithium metal batteries, we aim to leverage models to automatically predict Coulombic Efficiency (CE) based on the composition of liquid electrolytes. There are mainly two representative paradigms in existing methods: machine learning and deep learning. However, the former requires intelligent input feature selection and reliable computational methods, leading to error propagation from feature estimation to model prediction, while the latter (e.g. MultiModal-MoLFormer) faces challenges of poor predictive performance and overfitting due to limited diversity in augmented data. To tackle these issues, we propose a novel method COEFF (COlumbic EFficiency prediction via Fine-tuned models), which consists of two stages: pre-training a chemical general model and fine-tuning on downstream domain data. Firstly, we adopt the publicly available MoLFormer model to obtain feature vectors for each solvent and salt in the electrolyte. Then, we perform a weighted average of embeddings for each token across all molecules, with weights determined by the respective electrolyte component ratios. Finally, we input the obtained electrolyte features into a Multi-layer Perceptron or Kolmogorov-Arnold Network to predict CE. Experimental results on a real-world dataset demonstrate that our method achieves SOTA for predicting CE compared to all baselines. Data and code used in this work will be made publicly available after the paper is published.
Self-driving lab discovers principles for steering spontaneous emission
Desai, Saaketh, Addamane, Sadhvikas, Tsao, Jeffery Y., Brener, Igal, Dingreville, Remi, Iyer, Prasad P.
We developed an autonomous experimentation platform to accelerate interpretable scientific discovery in ultrafast nanophotonics, targeting a novel method to steer spontaneous emission from reconfigurable semiconductor metasurfaces. Controlling spontaneous emission is crucial for clean-energy solutions in illumination, thermal radiation engineering, and remote sensing. Despite the potential of reconfigurable semiconductor metasurfaces with embedded sources for spatiotemporal control, achieving arbitrary far-field control remains challenging. Here, we present a self-driving lab (SDL) platform that addresses this challenge by discovering the governing equations for predicting the far-field emission profile from light-emitting metasurfaces. We discover that both the spatial gradient (grating-like) and the curvature (lens-like) of the local refractive index are key factors in steering spontaneous emission. The SDL employs a machine-learning framework comprising: (1) a variational autoencoder for generating complex spatial refractive index profiles, (2) an active learning agent for guiding experiments with real-time closed-loop feedback, and (3) a neural network-based equation learner to uncover structure-property relationships. The SDL demonstrated a four-fold enhancement in peak emission directivity (up to 77%) over a 72{\deg} field of view within ~300 experiments. Our findings reveal that combinations of positive gratings and lenses are as effective as negative lenses and gratings for all emission angles, offering a novel strategy for controlling spontaneous emission beyond conventional Fourier optics.