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Predicting Organic-Inorganic Halide Perovskite Photovoltaic Performance from Optical Properties of Constituent Films through Machine Learning

arXiv.org Artificial Intelligence

We demonstrate a machine learning (ML) approach that accurately predicts the current-voltage behavior of 3D/2D-structured (FAMA)Pb(IBr)3/OABr hybrid organic-inorganic halide perovskite (HOIP) solar cells under AM1.5 illumination. Our neural network algorithm is trained on measured responses from several hundred HOIP solar cells, using three simple optical measurements of constituent HOIP films as input: optical transmission spectrum, spectrally-resolved photoluminescence, and time-resolved photoluminescence, from which we predict the open-circuit voltage (Voc), short-circuit current (Jsc), and fill factors (FF) values of solar cells that contain the HOIP active layers. Determined average prediction accuracies for 95 % of the predicted Voc, Jsc, and FF values are 91%, 94% and 89%, respectively, with R2 coefficients of determination of 0.47, 0.77, and 0.58, respectively. Quantifying the connection between ML predictions and physical parameters extracted from the measured HOIP films optical properties, allows us to identify the most significant parameters influencing the prediction results. With separate ML-classifying algorithms, we identify degraded solar cells using the same optical input data, achieving over 90% classification accuracy through support vector machine, cross entropy loss, and artificial neural network algorithms. To our knowledge, the demonstrated regression and classification work is the first to use ML to predict device photovoltaic properties solely from the optical properties of constituent materials.


CIKAN: Constraint Informed Kolmogorov-Arnold Networks for Autonomous Spacecraft Rendezvous using Time Shift Governor

arXiv.org Artificial Intelligence

The paper considers a Constrained-Informed Neural Network (CINN) approximation for the Time Shift Governor (TSG), which is an add-on scheme to the nominal closed-loop system used to enforce constraints by time-shifting the reference trajectory in spacecraft rendezvous applications. We incorporate Kolmogorov-Arnold Networks (KANs), an emerging architecture in the AI community, as a fundamental component of CINN and propose a Constrained-Informed Kolmogorov-Arnold Network (CIKAN)-based approximation for TSG. We demonstrate the effectiveness of the CIKAN-based TSG through simulations of constrained spacecraft rendezvous missions on highly elliptic orbits and present comparisons between CIKANs, MLP-based CINNs, and the conventional TSG.


ConQRet: Benchmarking Fine-Grained Evaluation of Retrieval Augmented Argumentation with LLM Judges

arXiv.org Artificial Intelligence

Computational argumentation, which involves generating answers or summaries for controversial topics like abortion bans and vaccination, has become increasingly important in today's polarized environment. Sophisticated LLM capabilities offer the potential to provide nuanced, evidence-based answers to such questions through Retrieval-Augmented Argumentation (RAArg), leveraging real-world evidence for high-quality, grounded arguments. However, evaluating RAArg remains challenging, as human evaluation is costly and difficult for complex, lengthy answers on complicated topics. At the same time, re-using existing argumentation datasets is no longer sufficient, as they lack long, complex arguments and realistic evidence from potentially misleading sources, limiting holistic evaluation of retrieval effectiveness and argument quality. To address these gaps, we investigate automated evaluation methods using multiple fine-grained LLM judges, providing better and more interpretable assessments than traditional single-score metrics and even previously reported human crowdsourcing. To validate the proposed techniques, we introduce ConQRet, a new benchmark featuring long and complex human-authored arguments on debated topics, grounded in real-world websites, allowing an exhaustive evaluation across retrieval effectiveness, argument quality, and groundedness. We validate our LLM Judges on a prior dataset and the new ConQRet benchmark. Our proposed LLM Judges and the ConQRet benchmark can enable rapid progress in computational argumentation and can be naturally extended to other complex retrieval-augmented generation tasks.


Variational Encoder-Decoders for Learning Latent Representations of Physical Systems

arXiv.org Machine Learning

We present a deep-learning Variational Encoder-Decoder (VED) framework for learning data-driven low-dimensional representations of the relationship between high-dimensional parameters of a physical system and the system's high-dimensional observable response. The framework consists of two deep learning-based probabilistic transformations: An encoder mapping parameters to latent codes and a decoder mapping latent codes to the observable response. The hyperparameters of these transformations are identified by maximizing a variational lower bound on the log-conditional distribution of the observable response given parameters. To promote the disentanglement of latent codes, we equip this variational loss with a penalty on the off-diagonal entries of the aggregate distribution covariance of codes. This regularization penalty encourages the pushforward of a standard Gaussian distribution of latent codes to approximate the marginal distribution of the observable response. Using the proposed framework we successfully model the hydraulic pressure response at observation wells of a groundwater flow model as a function of its discrete log-hydraulic transmissivity field. Compared to the canonical correlation analysis encoding, the VED model achieves a lower-dimensional latent representation, with as low as $r = 50$ latent dimensions without a significant loss of reconstruction accuracy. We explore the impact of regularization on model performance, finding that KL-divergence and covariance regularization improve feature disentanglement in latent space while maintaining reconstruction accuracy. Furthermore, we evaluate the generative capabilities of the regularized model by decoding random Gaussian noise, revealing that tuning both $\beta$ and $\lambda$ parameters enhances the quality of the generated observable response data.


Rethinking Time Series Forecasting with LLMs via Nearest Neighbor Contrastive Learning

arXiv.org Artificial Intelligence

Adapting Large Language Models (LLMs) that are extensively trained on abundant text data, and customizing the input prompt to enable time series forecasting has received considerable attention. While recent work has shown great potential for adapting the learned prior of LLMs, the formulation of the prompt to finetune LLMs remains challenging as prompt should be aligned with time series data. Additionally, current approaches do not effectively leverage word token embeddings which embody the rich representation space learned by LLMs. This emphasizes the need for a robust approach to formulate the prompt which utilizes the word token embeddings while effectively representing the characteristics of the time series. To address these challenges, we propose NNCL-TLLM: Nearest Neighbor Contrastive Learning for Time series forecasting via LLMs. First, we generate time series compatible text prototypes such that each text prototype represents both word token embeddings in its neighborhood and time series characteristics via end-to-end finetuning. Next, we draw inspiration from Nearest Neighbor Contrastive Learning to formulate the prompt while obtaining the top-$k$ nearest neighbor time series compatible text prototypes. We then fine-tune the layer normalization and positional embeddings of the LLM, keeping the other layers intact, reducing the trainable parameters and decreasing the computational cost. Our comprehensive experiments demonstrate that NNCL-TLLM outperforms in few-shot forecasting while achieving competitive or superior performance over the state-of-the-art methods in long-term and short-term forecasting tasks.


Scaled and Inter-token Relation Enhanced Transformer for Sample-restricted Residential NILM

arXiv.org Artificial Intelligence

Transformers have demonstrated exceptional performance across various domains due to their self-attention mechanism, which captures complex relationships in data. However, training on smaller datasets poses challenges, as standard attention mechanisms can over-smooth attention scores and overly prioritize intra-token relationships, reducing the capture of meaningful inter-token dependencies critical for tasks like Non-Intrusive Load Monitoring (NILM). To address this, we propose a novel transformer architecture with two key innovations: inter-token relation enhancement and dynamic temperature tuning. The inter-token relation enhancement mechanism removes diagonal entries in the similarity matrix to improve attention focus on inter-token relations. The dynamic temperature tuning mechanism, a learnable parameter, adapts attention sharpness during training, preventing over-smoothing and enhancing sensitivity to token relationships. We validate our method on the REDD dataset and show that it outperforms the original transformer and state-of-the-art models by 10-15\% in F1 score across various appliance types, demonstrating its efficacy for training on smaller datasets.


'A needle in a haystack:' How AI is helping uncover abandoned oil wells

Popular Science

The continental United States is jam-packed with reminders of our ravenous oil appetite. Since the 1850s, there have been an estimated 3.5 million oil and gas wells drilled across the country. Many of those were abandoned after the companies running them ran out of business or otherwise ceased operating. These forgotten fossil fuel artifacts, referred to officially as "undocumented orphan wells" (UOWs) are often left behind without meaningful efforts taken to safely seal them. Unplugged orphan wells can leak out dangerous methane, oil, and other chemicals for years which can pollute the air and potentially contaminate nearby water sources.


Chris Mason: Is Starmer speech a 'plan for change' or 'emergency relaunch'?

BBC News

Three milestones are for England - more housebuilding and planning reform, speeding up how long it takes to get a routine NHS operation, and improving pre-school education. There will also be a greener energy target for the UK and for putting more police on the beat in England and Wales. "My government was elected to deliver change, and today marks the next step. People are tired of being promised the world, but short-term sticking plaster politics letting them down," Sir Keir will say. "My mission-led government will deliver." Insiders I talk too are pretty sanguine about the prospect of this being seen by critics as a re-launch.


Learning Based MPC for Autonomous Driving Using a Low Dimensional Residual Model

arXiv.org Artificial Intelligence

In this paper, a learning based Model Predictive Control (MPC) using a low dimensional residual model is proposed for autonomous driving. One of the critical challenge in autonomous driving is the complexity of vehicle dynamics, which impedes the formulation of accurate vehicle model. Inaccurate vehicle model can significantly impact the performance of MPC controller. To address this issue, this paper decomposes the nominal vehicle model into invariable and variable elements. The accuracy of invariable component is ensured by calibration, while the deviations in the variable elements are learned by a low-dimensional residual model. The features of residual model are selected as the physical variables most correlated with nominal model errors. Physical constraints among these features are formulated to explicitly define the valid region within the feature space. The formulated model and constraints are incorporated into the MPC framework and validated through both simulation and real vehicle experiments. The results indicate that the proposed method significantly enhances the model accuracy and controller performance.


A Data-Driven Framework for Discovering Fractional Differential Equations in Complex Systems

arXiv.org Artificial Intelligence

In complex physical systems, conventional differential equations often fall short in capturing non-local and memory effects, as they are limited to local dynamics and integer-order interactions. This study introduces a stepwise data-driven framework for discovering fractional differential equations (FDEs) directly from data. FDEs, known for their capacity to model non-local dynamics with fewer parameters than integer-order derivatives, can represent complex systems with long-range interactions. Our framework applies deep neural networks as surrogate models for denoising and reconstructing sparse and noisy observations while using Gaussian-Jacobi quadrature to handle the challenges posed by singularities in fractional derivatives. To optimize both the sparse coefficients and fractional order, we employ an alternating optimization approach that combines sparse regression with global optimization techniques. We validate the framework across various datasets, including synthetic anomalous diffusion data, experimental data on the creep behavior of frozen soils, and single-particle trajectories modeled by L\'{e}vy motion. Results demonstrate the framework's robustness in identifying the structure of FDEs across diverse noise levels and its capacity to capture integer-order dynamics, offering a flexible approach for modeling memory effects in complex systems.