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Physically consistent predictive reduced-order modeling by enhancing Operator Inference with state constraints

arXiv.org Artificial Intelligence

Numerical simulations of complex multiphysics systems, such as char combustion considered herein, yield numerous state variables that inherently exhibit physical constraints. This paper presents a new approach to augment Operator Inference -- a methodology within scientific machine learning that enables learning from data a low-dimensional representation of a high-dimensional system governed by nonlinear partial differential equations -- by embedding such state constraints in the reduced-order model predictions. In the model learning process, we propose a new way to choose regularization hyperparameters based on a key performance indicator. Since embedding state constraints improves the stability of the Operator Inference reduced-order model, we compare the proposed state constraints-embedded Operator Inference with the standard Operator Inference and other stability-enhancing approaches. For an application to char combustion, we demonstrate that the proposed approach yields state predictions superior to the other methods regarding stability and accuracy. It extrapolates over 200\% past the training regime while being computationally efficient and physically consistent.


Reduce Lap Time for Autonomous Racing with Curvature-Integrated MPCC Local Trajectory Planning Method

arXiv.org Artificial Intelligence

The widespread application of autonomous driving technology has significantly advanced the field of autonomous racing. Model Predictive Contouring Control (MPCC) is a highly effective local trajectory planning method for autonomous racing. However, the traditional MPCC method struggles with racetracks that have significant curvature changes, limiting the performance of the vehicle during autonomous racing. To address this issue, we propose a curvature-integrated MPCC (CiMPCC) local trajectory planning method for autonomous racing. This method optimizes the velocity of the local trajectory based on the curvature of the racetrack centerline. The specific implementation involves mapping the curvature of the racetrack centerline to a reference velocity profile, which is then incorporated into the cost function for optimizing the velocity of the local trajectory. This reference velocity profile is created by normalizing and mapping the curvature of the racetrack centerline, thereby ensuring efficient and performance-oriented local trajectory planning in racetracks with significant curvature. The proposed CiMPCC method has been experimented on a self-built 1:10 scale F1TENTH racing vehicle deployed with ROS platform. The experimental results demonstrate that the proposed method achieves outstanding results on a challenging racetrack with sharp curvature, improving the overall lap time by 11.4%-12.5% compared to other autonomous racing trajectory planning methods. Our code is available at https://github.com/zhouhengli/CiMPCC.


MultiQ&A: An Analysis in Measuring Robustness via Automated Crowdsourcing of Question Perturbations and Answers

arXiv.org Artificial Intelligence

One critical challenge in the institutional adoption journey of Large Language Models (LLMs) stems from their propensity to hallucinate in generated responses. To address this, we propose MultiQ&A, a systematic approach for evaluating the robustness and consistency of LLM-generated answers. We demonstrate MultiQ&A's ability to crowdsource question perturbations and their respective answers through independent LLM agents at scale. Our experiments culminated in the examination of 1.9 million question perturbations and 2.3 million answers. Furthermore, MultiQ&A shows that ensembled LLMs, such as gpt-3.5-turbo, remain relatively robust and consistent under perturbations. MultiQ&A provides clarity in the response generation space, offering an effective method for inspecting disagreements and variability. Therefore, our system offers a potential framework for institutional LLM adoption with the ability to measure confidence, consistency, and the quantification of hallucinations.


Sovereign Large Language Models: Advantages, Strategy and Regulations

arXiv.org Artificial Intelligence

This report analyzes key trends, challenges, risks, and opp ortunities associated with the development of Large Language Models (LLMs) globally. It examines natio nal experiences in developing LLMs and assesses the feasibility of investment in this sector. Addi tionally, the report explores strategies for implementing, regulating, and financing AI projects at the s tate level. International experiences indicate that LLMs significantl y enhance administrative efficiency. In regulatory processes, they streamline the management of le gal documents (Albania, Serbia), facilitate communication between government authorities and citizen s (Netherlands), and support public procurement and legal translations (Albania).


Transferring Graph Neural Networks for Soft Sensor Modeling using Process Topologies

arXiv.org Artificial Intelligence

Data-driven soft sensors help in process operations by providing real-time estimates of otherwise hard- to-measure process quantities, e.g., viscosities or product concentrations. Currently, soft sensors need to be developed individually per plant. Using transfer learning, machine learning-based soft sensors could be reused and fine-tuned across plants and applications. However, transferring data-driven soft sensor models is in practice often not possible, because the fixed input structure of standard soft sensor models prohibits transfer if, e.g., the sensor information is not identical in all plants. We propose a topology-aware graph neural network approach for transfer learning of soft sensor models across multiple plants. In our method, plants are modeled as graphs: Unit operations are nodes, streams are edges, and sensors are embedded as attributes. Our approach brings two advantages for transfer learning: First, we not only include sensor data but also crucial information on the plant topology. Second, the graph neural network algorithm is flexible with respect to its sensor inputs. This allows us to model data from different plants with different sensor networks. We test the transfer learning capabilities of our modeling approach on ammonia synthesis loops with different process topologies. We build a soft sensor predicting the ammonia concentration in the product. After training on data from one process, we successfully transfer our soft sensor model to a previously unseen process with a different topology. Our approach promises to extend the data-driven soft sensors to cases to leverage data from multiple plants.


Entropy Adaptive Decoding: Dynamic Model Switching for Efficient Inference

arXiv.org Artificial Intelligence

We present Entropy Adaptive Decoding (EAD), a novel approach for efficient language model inference that dynamically switches between different-sized models based on prediction uncertainty. By monitoring rolling entropy in model logit distributions, our method identifies text regions where a smaller model suffices and switches to a larger model only when prediction uncertainty exceeds a threshold. Unlike speculative decoding approaches that maintain perfect output fidelity through verification, EAD accepts controlled output divergence in exchange for computational efficiency. Our experiments on the MATH benchmark demonstrate remarkable efficiency gains across different model families. Using the LLaMA family, we maintain 96.7\% of the 11B model's performance (50.4\% vs 52.1\%) while using it for only 43\% of tokens, decreasing computational cost by 41.5\%. These gains become more pronounced with larger size differentials in the Qwen family, where we achieve 92.9\% of the 14B model's performance (74.3\% vs 80.0\%) while using it for just 25\% of tokens, decreasing computational cost by 67\%. The consistency of these results across model pairs suggests that language model computation can be significantly optimized by selectively deploying model capacity based on local generation complexity. Our findings indicate that current approaches to model inference may be unnecessarily conservative in their pursuit of perfect output fidelity, and that accepting minor performance trade-offs can enable dramatic reductions in computational costs.


Comparison of CNN-based deep learning architectures for unsteady CFD acceleration on small datasets

arXiv.org Artificial Intelligence

CFD acceleration for virtual nuclear reactors or digital twin technology is a primary goal in the nuclear industry. This study compares advanced convolutional neural network (CNN) architectures for accelerating unsteady computational fluid dynamics (CFD) simulations using small datasets based on a challenging natural convection flow dataset. The advanced architectures such as autoencoders, UNet, and ConvLSTM-UNet, were evaluated under identical conditions to determine their predictive accuracy and robustness in autoregressive time-series predictions. ConvLSTM-UNet consistently outperformed other models, particularly in difference value calculation, achieving lower maximum errors and stable residuals. However, error accumulation remains a challenge, limiting reliable predictions to approximately 10 timesteps. This highlights the need for enhanced strategies to improve long-term prediction stability. The novelty of this work lies in its fair comparison of state-of-the-art CNN models within the RePIT framework, demonstrating their potential for accelerating CFD simulations while identifying limitations under small data conditions. Future research will focus on exploring alternative models, such as graph neural networks and implicit neural representations. These efforts aim to develop a robust hybrid approach for long-term unsteady CFD acceleration, contributing to practical applications in virtual nuclear reactor.


OrderFusion: Encoding Orderbook for Probabilistic Intraday Price Prediction

arXiv.org Artificial Intelligence

Efficient and reliable probabilistic prediction of intraday electricity prices is essential to manage market uncertainties and support robust trading strategies. However, current methods often suffer from parameter inefficiencies, as they fail to fully exploit the potential of modeling interdependencies between bids and offers in the orderbook, requiring a large number of parameters for representation learning. Furthermore, these methods face the quantile crossing issue, where upper quantiles fall below the lower quantiles, resulting in unreliable probabilistic predictions. To address these two challenges, we propose an encoding method called OrderFusion and design a hierarchical multi-quantile head. The OrderFusion encodes the orderbook into a 2.5D representation, which is processed by a tailored jump cross-attention backbone to capture the interdependencies of bids and offers, enabling parameter-efficient learning. The head sets the median quantile as an anchor and predicts multiple quantiles hierarchically, ensuring reliability by enforcing monotonicity between quantiles through non-negative functions. Extensive experiments and ablation studies are conducted on four price indices: 60-min ID3, 60-min ID1, 15-min ID3, and 15-min ID1 using the German orderbook over three years to ensure a fair evaluation. The results confirm that our design choices improve overall performance, offering a parameter-efficient and reliable solution for probabilistic intraday price prediction.


No Location Left Behind: Measuring and Improving the Fairness of Implicit Representations for Earth Data

arXiv.org Artificial Intelligence

Implicit neural representations (INRs) exhibit growing promise in addressing Earth representation challenges, ranging from emissions monitoring to climate modeling. However, existing methods disproportionately prioritize global average performance, whereas practitioners require fine-grained insights to understand biases and variations in these models. To bridge this gap, we introduce FAIR-Earth: a first-of-its-kind dataset explicitly crafted to examine and challenge inequities in Earth representations. FAIR-Earth comprises various high-resolution Earth signals and uniquely aggregates extensive metadata along stratifications like landmass size and population density to assess the fairness of models. Evaluating state-of-the-art INRs across the various modalities of FAIR-Earth, we uncover striking performance disparities. Certain subgroups, especially those associated with high-frequency signals (e.g., islands, coastlines), are consistently poorly modeled by existing methods. In response, we propose spherical wavelet encodings, building on previous spatial encoding research. Leveraging the multi-resolution capabilities of wavelets, our encodings yield consistent performance over various scales and locations, offering more accurate and robust representations of the biased subgroups. These open-source contributions represent a crucial step towards the equitable assessment and deployment of Earth INRs.


CAST: Cross Attention based multimodal fusion of Structure and Text for materials property prediction

arXiv.org Artificial Intelligence

Recent advancements in AI have revolutionized property prediction in materials science and accelerating material discovery. Graph neural networks (GNNs) stand out due to their ability to represent crystal structures as graphs, effectively capturing local interactions and delivering superior predictions. However, these methods often lose critical global information, such as crystal systems and repetitive unit connectivity. To address this, we propose CAST, a cross-attention-based multimodal fusion model that integrates graph and text modalities to preserve essential material information. CAST combines node- and token-level features using cross-attention mechanisms, surpassing previous approaches reliant on material-level embeddings like graph mean-pooling or [CLS] tokens. A masked node prediction pretraining strategy further enhances atomic-level information integration. Our method achieved up to 22.9\% improvement in property prediction across four crystal properties including band gap compared to methods like CrysMMNet and MultiMat. Pretraining was key to aligning node and text embeddings, with attention maps confirming its effectiveness in capturing relationships between nodes and tokens. This study highlights the potential of multimodal learning in materials science, paving the way for more robust predictive models that incorporate both local and global information.