Energy
Estimate the building height at a 10-meter resolution based on Sentinel data
Building height is an important indicator for scientific research and practical application. However, building height products with a high spatial resolution (10m) are still very scarce. To meet the needs of high-resolution building height estimation models, this study established a set of spatial-spectral-temporal feature databases, combining SAR data provided by Sentinel-1, optical data provided by Sentinel-2, and shape data provided by building footprints. The statistical indicators on the time scale are extracted to form a rich database of 160 features. This study combined with permutation feature importance, Shapley Additive Explanations, and Random Forest variable importance, and the final stable features are obtained through an expert scoring system. This study took 12 large, medium, and small cities in the United States as the training data. It used moving windows to aggregate the pixels to solve the impact of SAR image displacement and building shadows. This study built a building height model based on a random forest model and compared three model ensemble methods of bagging, boosting, and stacking. To evaluate the accuracy of the prediction results, this study collected Lidar data in the test area, and the evaluation results showed that its R-Square reached 0.78, which can prove that the building height can be obtained effectively. The fast production of high-resolution building height data can support large-scale scientific research and application in many fields.
CACTUS: Chemistry Agent Connecting Tool-Usage to Science
McNaughton, Andrew D., Ramalaxmi, Gautham, Kruel, Agustin, Knutson, Carter R., Varikoti, Rohith A., Kumar, Neeraj
Large language models (LLMs) have shown remarkable potential in various domains, but they often lack the ability to access and reason over domain-specific knowledge and tools. In this paper, we introduced CACTUS (Chemistry Agent Connecting Tool-Usage to Science), an LLM-based agent that integrates cheminformatics tools to enable advanced reasoning and problem-solving in chemistry and molecular discovery. We evaluate the performance of CACTUS using a diverse set of open-source LLMs, including Gemma-7b, Falcon-7b, MPT-7b, Llama2-7b, and Mistral-7b, on a benchmark of thousands of chemistry questions. Our results demonstrate that CACTUS significantly outperforms baseline LLMs, with the Gemma-7b and Mistral-7b models achieving the highest accuracy regardless of the prompting strategy used. Moreover, we explore the impact of domain-specific prompting and hardware configurations on model performance, highlighting the importance of prompt engineering and the potential for deploying smaller models on consumer-grade hardware without significant loss in accuracy. By combining the cognitive capabilities of open-source LLMs with domain-specific tools, CACTUS can assist researchers in tasks such as molecular property prediction, similarity searching, and drug-likeness assessment. Furthermore, CACTUS represents a significant milestone in the field of cheminformatics, offering an adaptable tool for researchers engaged in chemistry and molecular discovery. By integrating the strengths of open-source LLMs with domain-specific tools, CACTUS has the potential to accelerate scientific advancement and unlock new frontiers in the exploration of novel, effective, and safe therapeutic candidates, catalysts, and materials. Moreover, CACTUS's ability to integrate with automated experimentation platforms and make data-driven decisions in real time opens up new possibilities for autonomous discovery.
Gradient-based Automatic Per-Weight Mixed Precision Quantization for Neural Networks On-Chip
Sun, Chang, Årrestad, Thea K., Loncar, Vladimir, Ngadiuba, Jennifer, Spiropulu, Maria
Model size and inference speed at deployment time, are major challenges in many deep learning applications. A promising strategy to overcome these challenges is quantization. However, a straightforward uniform quantization to very low precision can result in significant accuracy loss. Mixed-precision quantization, based on the idea that certain parts of the network can accommodate lower precision without compromising performance compared to other parts, offers a potential solution. In this work, we present High Granularity Quantization (HGQ), an innovative quantization-aware training method designed to fine-tune the per-weight and per-activation precision in an automatic way for ultra-low latency and low power neural networks which are to be deployed on FPGAs. We demonstrate that HGQ can outperform existing methods by a substantial margin, achieving resource reduction by up to a factor of 20 and latency improvement by a factor of 5 while preserving accuracy.
ConstrainedZero: Chance-Constrained POMDP Planning using Learned Probabilistic Failure Surrogates and Adaptive Safety Constraints
Moss, Robert J., Jamgochian, Arec, Fischer, Johannes, Corso, Anthony, Kochenderfer, Mykel J.
To plan safely in uncertain environments, agents must balance utility with safety constraints. Safe planning problems can be modeled as a chance-constrained partially observable Markov decision process (CC-POMDP) and solutions often use expensive rollouts or heuristics to estimate the optimal value and action-selection policy. This work introduces the ConstrainedZero policy iteration algorithm that solves CC-POMDPs in belief space by learning neural network approximations of the optimal value and policy with an additional network head that estimates the failure probability given a belief. This failure probability guides safe action selection during online Monte Carlo tree search (MCTS). To avoid overemphasizing search based on the failure estimates, we introduce $\Delta$-MCTS, which uses adaptive conformal inference to update the failure threshold during planning. The approach is tested on a safety-critical POMDP benchmark, an aircraft collision avoidance system, and the sustainability problem of safe CO$_2$ storage. Results show that by separating safety constraints from the objective we can achieve a target level of safety without optimizing the balance between rewards and costs.
Replacing Judges with Juries: Evaluating LLM Generations with a Panel of Diverse Models
Verga, Pat, Hofstatter, Sebastian, Althammer, Sophia, Su, Yixuan, Piktus, Aleksandra, Arkhangorodsky, Arkady, Xu, Minjie, White, Naomi, Lewis, Patrick
As Large Language Models (LLMs) have become more advanced, they have outpaced our abilities to accurately evaluate their quality. Not only is finding data to adequately probe particular model properties difficult, but evaluating the correctness of a model's freeform generation alone is a challenge. To address this, many evaluations now rely on using LLMs themselves as judges to score the quality of outputs from other LLMs. Evaluations most commonly use a single large model like GPT4. While this method has grown in popularity, it is costly, has been shown to introduce intramodel bias, and in this work, we find that very large models are often unnecessary. We propose instead to evaluate models using a Panel of LLm evaluators (PoLL). Across three distinct judge settings and spanning six different datasets, we find that using a PoLL composed of a larger number of smaller models outperforms a single large judge, exhibits less intra-model bias due to its composition of disjoint model families, and does so while being over seven times less expensive.
A Differentiable Dynamic Modeling Approach to Integrated Motion Planning and Actuator Physical Design for Mobile Manipulators
This paper investigates the differentiable dynamic modeling of mobile manipulators to facilitate efficient motion planning and physical design of actuators, where the actuator design is parameterized by physically meaningful motor geometry parameters. These parameters impact the manipulator's link mass, inertia, center-of-mass, torque constraints, and angular velocity constraints, influencing control authority in motion planning and trajectory tracking control. A motor's maximum torque/speed and how the design parameters affect the dynamics are modeled analytically, facilitating differentiable and analytical dynamic modeling. Additionally, an integrated locomotion and manipulation planning problem is formulated with direct collocation discretization, using the proposed differentiable dynamics and motor parameterization. Such dynamics are required to capture the dynamic coupling between the base and the manipulator. Numerical experiments demonstrate the effectiveness of differentiable dynamics in speeding up optimization and advantages in task completion time and energy consumption over established sequential motion planning approach. Finally, this paper introduces a simultaneous actuator design and motion planning framework, providing numerical results to validate the proposed differentiable modeling approach for co-design problems.
Learning to Boost the Performance of Stable Nonlinear Systems
Furieri, Luca, Galimberti, Clara Lucía, Ferrari-Trecate, Giancarlo
The growing scale and complexity of safety-critical control systems underscore the need to evolve current control architectures aiming for the unparalleled performances achievable through state-of-the-art optimization and machine learning algorithms. However, maintaining closed-loop stability while boosting the performance of nonlinear control systems using data-driven and deep-learning approaches stands as an important unsolved challenge. In this paper, we tackle the performance-boosting problem with closed-loop stability guarantees. Specifically, we establish a synergy between the Internal Model Control (IMC) principle for nonlinear systems and state-of-the-art unconstrained optimization approaches for learning stable dynamics. Our methods enable learning over arbitrarily deep neural network classes of performance-boosting controllers for stable nonlinear systems; crucially, we guarantee Lp closed-loop stability even if optimization is halted prematurely, and even when the ground-truth dynamics are unknown, with vanishing conservatism in the class of stabilizing policies as the model uncertainty is reduced to zero. We discuss the implementation details of the proposed control schemes, including distributed ones, along with the corresponding optimization procedures, demonstrating the potential of freely shaping the cost functions through several numerical experiments.
Physics-informed Convolutional Neural Network for Microgrid Economic Dispatch
The variability of renewable energy generation and the unpredictability of electricity demand create a need for real-time economic dispatch (ED) of assets in microgrids. However, solving numerical optimization problems in real-time can be incredibly challenging. This study proposes using a convolutional neural network (CNN) based on deep learning to address these challenges. Compared to traditional methods, CNN is more efficient, delivers more dependable results, and has a shorter response time when dealing with uncertainties. While CNN has shown promising results, it does not extract explainable knowledge from the data. To address this limitation, a physics-inspired CNN model is developed by incorporating constraints of the ED problem into the CNN training to ensure that the model follows physical laws while fitting the data. The proposed method can significantly accelerate real-time economic dispatch of microgrids without compromising the accuracy of numerical optimization techniques. The effectiveness of the proposed data-driven approach for optimal allocation of microgrid resources in real-time is verified through a comprehensive comparison with conventional numerical optimization approaches.
A Review of Barren Plateaus in Variational Quantum Computing
Larocca, Martin, Thanasilp, Supanut, Wang, Samson, Sharma, Kunal, Biamonte, Jacob, Coles, Patrick J., Cincio, Lukasz, McClean, Jarrod R., Holmes, Zoë, Cerezo, M.
Variational quantum computing offers a flexible computational paradigm with applications in diverse areas. However, a key obstacle to realizing their potential is the Barren Plateau (BP) phenomenon. When a model exhibits a BP, its parameter optimization landscape becomes exponentially flat and featureless as the problem size increases. Importantly, all the moving pieces of an algorithm -- choices of ansatz, initial state, observable, loss function and hardware noise -- can lead to BPs when ill-suited. Due to the significant impact of BPs on trainability, researchers have dedicated considerable effort to develop theoretical and heuristic methods to understand and mitigate their effects. As a result, the study of BPs has become a thriving area of research, influencing and cross-fertilizing other fields such as quantum optimal control, tensor networks, and learning theory. This article provides a comprehensive review of the current understanding of the BP phenomenon.
Universal Physics Transformers: A Framework For Efficiently Scaling Neural Operators
Alkin, Benedikt, Fürst, Andreas, Schmid, Simon, Gruber, Lukas, Holzleitner, Markus, Brandstetter, Johannes
Neural operators, serving as physics surrogate models, have recently gained increased interest. With ever increasing problem complexity, the natural question arises: what is an efficient way to scale neural operators to larger and more complex simulations - most importantly by taking into account different types of simulation datasets. This is of special interest since, akin to their numerical counterparts, different techniques are used across applications, even if the underlying dynamics of the systems are similar. Whereas the flexibility of transformers has enabled unified architectures across domains, neural operators mostly follow a problem specific design, where GNNs are commonly used for Lagrangian simulations and grid-based models predominate Eulerian simulations. We introduce Universal Physics Transformers (UPTs), an efficient and unified learning paradigm for a wide range of spatio-temporal problems. UPTs operate without grid- or particle-based latent structures, enabling flexibility and scalability across meshes and particles. UPTs efficiently propagate dynamics in the latent space, emphasized by inverse encoding and decoding techniques. Finally, UPTs allow for queries of the latent space representation at any point in space-time. We demonstrate diverse applicability and efficacy of UPTs in mesh-based fluid simulations, and steady-state Reynolds averaged Navier-Stokes simulations, and Lagrangian-based dynamics.