Physics simulators are essential in science and engineering, enabling the analysis, control, and design of complex systems. In experimental sciences, they are increasingly used to automate experimental design, often via combinatorial search and optimization. However, as the setups grow more complex, the computational cost of traditional, CPU-based simulators becomes a major limitation. Here, we show how neural surrogate models can significantly reduce reliance on such slow simulators while preserving accuracy. Taking the design of interferometric gravitational wave detectors as a representative example, we train a neural network to surrogate the gravitational wave physics simulator Finesse, which was developed by the LIGO community. Despite that small changes in physical parameters can change the output by orders of magnitudes, the model rapidly predicts the quality and feasibility of candidate designs, allowing an efficient exploration of large design spaces. Our algorithm loops between training the surrogate, inverse designing new experiments, and verifying their properties with the slow simulator for further training. Assisted by auto-differentiation and GPU parallelism, our method proposes high-quality experiments much faster than direct optimization. Solutions that our algorithm finds within hours outperform designs that take five days for the optimizer to reach. Though shown in the context of gravitational wave detectors, our framework is broadly applicable to other domains where simulator bottlenecks hinder optimization and discovery.

Perovskite solar cells are promising candidates for next-generation photovoltaics. However, their performance as multi-scale devices is determined by complex interactions between their constituent layers. This creates a vast combinatorial space of possible materials and device architectures, making the conventional experimental-based screening process slow and expensive. Machine learning models try to address this problem, but they only focus on individual material properties or neglect the important geometric information of the perovskite crystal. To address this problem, we propose to predict perovskite solar cell power conversion efficiency with a geometric-aware co-attention (Solar-GECO) model. Solar-GECO combines a geometric graph neural network (GNN) - that directly encodes the atomic structure of the perovskite absorber - with language model embeddings that process the textual strings representing the chemical compounds of the transport layers and other device components. Solar-GECO also integrates a co-attention module to capture intra-layer dependencies and inter-layer interactions, while a probabilistic regression head predicts both power conversion efficiency (PCE) and its associated uncertainty. Solar-GECO achieves state-of-the-art performance, significantly outperforming several baselines, reducing the mean absolute error (MAE) for PCE prediction from 3.066 to 2.936 compared to semantic GNN (the previous state-of-the-art model). Solar-GECO demonstrates that integrating geometric and textual information provides a more powerful and accurate framework for PCE prediction.

In recent years, machine learning and deep learning have driven advances in domains such as image classification, speech recognition, and anomaly detection by leveraging multi-layer neural networks to model complex data. Simultaneously, quantum computing (QC) promises to address classically intractable problems via quantum parallelism, motivating research in quantum machine learning (QML). Among QML techniques, quantum autoencoders show promise for compressing high-dimensional quantum and classical data. However, designing effective quantum circuit architectures for quantum autoencoders remains challenging due to the complexity of selecting gates, arranging circuit layers, and tuning parameters. This paper proposes a neural architecture search (NAS) framework that automates the design of quantum autoencoders using a genetic algorithm (GA). By systematically evolving variational quantum circuit (VQC) configurations, our method seeks to identify high-performing hybrid quantum-classical autoencoders for data reconstruction without becoming trapped in local minima. We demonstrate effectiveness on image datasets, highlighting the potential of quantum autoencoders for efficient feature extraction within a noise-prone, near-term quantum era. Our approach lays a foundation for broader application of genetic algorithms to quantum architecture search, aiming for a robust, automated method that can adapt to varied data and hardware constraints.

The rapid growth of IoT devices has led to an enormous amount of sensor data that requires transmission to cloud servers for processing, resulting in excessive network congestion, increased latency and high energy consumption. This is particularly problematic in resource-constrained and remote environments where bandwidth is limited, and battery-dependent devices further emphasize the problem. Moreover, in domains such as agriculture, consecutive sensor readings often have minimal variation, making continuous data transmission inefficient and unnecessarily resource intensive. To overcome these challenges, we propose an analytical prediction algorithm designed for edge computing environments and validated through simulation. The proposed solution utilizes a predictive filter at the network edge that forecasts the next sensor data point and triggers data transmission only when the deviation from the predicted value exceeds a predefined tolerance. A complementary cloud-based model ensures data integrity and overall system consistency. This dual-model strategy effectively reduces communication overhead and demonstrates potential for improving energy efficiency by minimizing redundant transmissions. In addition to reducing communication load, our approach leverages both in situ and satellite observations from the same locations to enhance model robustness. It also supports cross-site generalization, enabling models trained in one region to be effectively deployed elsewhere without retraining. This makes our solution highly scalable, energy-aware, and well-suited for optimizing sensor data transmission in remote and bandwidth-constrained IoT environments.

Existing reinforcement learning methods for Chain-of-Thought reasoning suffer from two critical limitations. First, they operate as monolithic black boxes that provide undifferentiated reward signals, obscuring individual step contributions and hindering error diagnosis. Second, sequential decoding has O(n) time complexity. This makes real-time deployment impractical for complex reasoning tasks. We present DeCoRL (Decoupled Reasoning Chains via Coordinated Reinforcement Learning), a novel framework that transforms reasoning from sequential processing into collaborative modular orchestration. DeCoRL trains lightweight specialized models to generate reasoning sub-steps concurrently, eliminating sequential bottlenecks through parallel processing. To enable precise error attribution, the framework designs modular reward functions that score each sub-step independently. Cascaded DRPO optimization then coordinates these rewards while preserving inter-step dependencies. Comprehensive evaluation demonstrates state-of-the-art results across RM-Bench, RMB, and RewardBench, outperforming existing methods including large-scale models. DeCoRL delivers 3.8 times faster inference while maintaining superior solution quality and offers a 22.7\% improvement in interpretability through explicit reward attribution. These advancements, combined with a 72.4\% reduction in energy consumption and a 68\% increase in throughput, make real-time deployment of complex reasoning systems a reality.

The increase in vehicle ownership has led to increased traffic congestion, more accidents, and higher carbon emissions. Vehicle platooning is a promising solution to address these issues by improving road capacity and reducing fuel consumption. However, existing platooning systems face challenges such as reliance on lane markings and expensive high-precision sensors, which limits their general applicability. To address these issues, we propose a vehicle following framework that expands its capability from restricted scenarios to general scenario applications using only a camera. This is achieved through our newly proposed end-to-end method, which improves overall driving performance. The method incorporates a semantic mask to address causal confusion in multi-frame data fusion. Additionally, we introduce a dynamic sampling mechanism to precisely track the trajectories of preceding vehicles. Extensive closed-loop validation in real-world vehicle experiments demonstrates the system's ability to follow vehicles in various scenarios, outperforming traditional multi-stage algorithms. This makes it a promising solution for cost-effective autonomous vehicle platooning. A complete real-world vehicle experiment is available at https://youtu.be/zL1bcVb9kqQ.

This paper compares Kolmogorov-Arnold Networks (KAN) and Long Short-Term Memory networks (LSTM) for forecasting non-deterministic stock price data, evaluating predictive accuracy versus interpretability trade-offs using Root Mean Square Error (RMSE).LSTM demonstrates substantial superiority across all tested prediction horizons, confirming their established effectiveness for sequential data modelling. Standard KAN, while offering theoretical interpretability through the Kolmogorov-Arnold representation theorem, exhibits significantly higher error rates and limited practical applicability for time series forecasting. The results confirm LSTM dominance in accuracy-critical time series applications while identifying computational efficiency as KANs' primary advantage in resource-constrained scenarios where accuracy requirements are less stringent. The findings support LSTM adoption for practical financial forecasting while suggesting that continued research into specialised KAN architectures may yield future improvements.

The Forward-Forward (FF) algorithm offers a biologically plausible alternative to backpropagation, enabling neural networks to learn through local updates. However, FF's efficacy relies heavily on the definition of "goodness", which is a scalar measure of neural activity. While current implementations predominantly utilize a simple sum-of-squares metric, it remains unclear if this default choice is optimal. To address this, we benchmarked 21 distinct goodness functions across four standard image datasets (MNIST, FashionMNIST, CIFAR-10, STL-10), evaluating classification accuracy, energy consumption, and carbon footprint. We found that certain alternative goodness functions inspired from various domains significantly outperform the standard baseline. Specifically, \texttt{game\_theoretic\_local} achieved 97.15\% accuracy on MNIST, \texttt{softmax\_energy\_margin\_local} reached 82.84\% on FashionMNIST, and \texttt{triplet\_margin\_local} attained 37.69\% on STL-10. Furthermore, we observed substantial variability in computational efficiency, highlighting a critical trade-off between predictive performance and environmental cost. These findings demonstrate that the goodness function is a pivotal hyperparameter in FF design. We release our code on \href{https://github.com/aryashah2k/In-Search-of-Goodness}{Github} for reference and reproducibility.

Probabilistic Time-Series Forecasting (PTSF) is critical for uncertainty-aware decision making, but existing generative models, such as diffusion-based approaches, are computationally prohibitive due to expensive iterative sampling. Non-sampling frameworks like Multiple Choice Learning (MCL) offer an efficient alternative, but suffer from severe training instability and hypothesis collapse, which has historically hindered their performance. This problem is dramatically exacerbated when attempting to combine them with modern, efficient MLP-based backbones. To resolve this fundamental incompatibility, we propose TimePre, a novel framework that successfully unifies the efficiency of MLP-based models with the distributional flexibility of the MCL paradigm. The core of our solution is Stabilized Instance Normalization (SIN), a novel normalization layer that explicitly remedies this incompatibility. SIN stabilizes the hybrid architecture by correcting channel-wise statistical shifts, definitively resolving the catastrophic hypothesis collapse. Extensive experiments on six benchmark datasets demonstrate that TimePre achieves new state-of-the-art accuracy on key probabilistic metrics. Critically, TimePre achieves inference speeds orders of magnitude faster than sampling-based models and, unlike prior MCL work, demonstrates stable performance scaling. It thus bridges the long-standing gap between accuracy, efficiency, and stability in probabilistic forecasting.

Geostationary hyperspectral satellites generate terabytes of data daily, creating critical challenges for storage, transmission, and distribution to the scientific community. We present a variational autoencoder (VAE) approach that achieves x514 compression of NASA's TEMPO satellite hyperspectral observations (1028 channels, 290-490nm) with reconstruction errors 1-2 orders of magnitude below the signal across all wavelengths. This dramatic data volume reduction enables efficient archival and sharing of satellite observations while preserving spectral fidelity. Beyond compression, we investigate to what extent atmospheric information is retained in the compressed latent space by training linear and nonlinear probes to extract Level-2 products (NO2, O3, HCHO, cloud fraction). Cloud fraction and total ozone achieve strong extraction performance (R^2 = 0.93 and 0.81 respectively), though these represent relatively straightforward retrievals given their distinct spectral signatures. In contrast, tropospheric trace gases pose genuine challenges for extraction (NO2 R^2 = 0.20, HCHO R^2 = 0.51) reflecting their weaker signals and complex atmospheric interactions. Critically, we find the VAE encodes atmospheric information in a semi-linear manner - nonlinear probes substantially outperform linear ones - and that explicit latent supervision during training provides minimal improvement, revealing fundamental encoding challenges for certain products. This work demonstrates that neural compression can dramatically reduce hyperspectral data volumes while preserving key atmospheric signals, addressing a critical bottleneck for next-generation Earth observation systems. Code - https://github.com/cfpark00/Hyperspectral-VAE