The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge of designing molecular drugs or materials that incorporate multi-modality prior knowledge remains a critical and complex undertaking. Specifically, achieving a practical molecular design necessitates not only meeting the diversity requirements but also addressing structural and textural constraints with various symmetries outlined by domain experts. In this article, we present an innovative approach to tackle this inverse design problem by formulating it as a multi-modality guidance generation/optimization task. Our proposed solution involves a textural-structure alignment symmetric diffusion framework for the implementation of molecular generation/optimization tasks, namely 3DToMolo. 3DToMolo aims to harmonize diverse modalities, aligning them seamlessly to produce molecular structures adhere to specified symmetric structural and textural constraints by experts in the field. Experimental trials across three guidance generation settings have shown a superior hit generation performance compared to state-of-the-art methodologies. Moreover, 3DToMolo demonstrates the capability to generate novel molecules, incorporating specified target substructures, without the need for prior knowledge. This work not only holds general significance for the advancement of deep learning methodologies but also paves the way for a transformative shift in molecular design strategies. 3DToMolo creates opportunities for a more nuanced and effective exploration of the vast chemical space, opening new frontiers in the development of molecular entities with tailored properties and functionalities.

We present SpaceHopper, a three-legged, small-scale robot designed for future mobile exploration of asteroids and moons. The robot weighs 5.2kg and has a body size of 245mm while using space-qualifiable components. Furthermore, SpaceHopper's design and controls make it well-adapted for investigating dynamic locomotion modes with extended flight-phases. Instead of gyroscopes or fly-wheels, the system uses its three legs to reorient the body during flight in preparation for landing. We control the leg motion for reorientation using Deep Reinforcement Learning policies. In a simulation of Ceres' gravity (0.029g), the robot can reliably jump to commanded positions up to 6m away. Our real-world experiments show that SpaceHopper can successfully reorient to a safe landing orientation within 9.7 degree inside a rotational gimbal and jump in a counterweight setup in Earth's gravity. Overall, we consider SpaceHopper an important step towards controlled jumping locomotion in low-gravity environments.

Aerial robots show significant potential for forest canopy research and environmental monitoring by providing data collection capabilities at high spatial and temporal resolutions. However, limited flight endurance hinders their application. Inspired by natural perching behaviours, we propose a multi-modal aerial robot system that integrates tensile perching for energy conservation and a suspended actuated pod for data collection. The system consists of a quadrotor drone, a slewing ring mechanism allowing 360{\deg} tether rotation, and a streamlined pod with two ducted propellers connected via a tether. Winding and unwinding the tether allows the pod to move within the canopy, and activating the propellers allows the tether to be wrapped around branches for perching or disentangling. We experimentally determined the minimum counterweights required for stable perching under various conditions. Building on this, we devised and evaluated multiple perching and disentangling strategies. Comparisons of perching and disentangling manoeuvres demonstrate energy savings that could be further maximized with the use of the pod or tether winding. These approaches can reduce energy consumption to only 22\% and 1.5\%, respectively, compared to a drone disentangling manoeuvre. We also calculated the minimum idle time required by the proposed system after the system perching and motor shut down to save energy on a mission, which is 48.9\% of the operating time. Overall, the integrated system expands the operational capabilities and enhances the energy efficiency of aerial robots for long-term monitoring tasks.

Accurate and high-resolution Earth system model (ESM) simulations are essential to assess the ecological and socio-economic impacts of anthropogenic climate change, but are computationally too expensive. Recent machine learning approaches have shown promising results in downscaling ESM simulations, outperforming state-of-the-art statistical approaches. However, existing methods require computationally costly retraining for each ESM and extrapolate poorly to climates unseen during training. We address these shortcomings by learning a consistency model (CM) that efficiently and accurately downscales arbitrary ESM simulations without retraining in a zero-shot manner. Our foundation model approach yields probabilistic downscaled fields at resolution only limited by the observational reference data. We show that the CM outperforms state-of-the-art diffusion models at a fraction of computational cost while maintaining high controllability on the downscaling task. Further, our method generalizes to climate states unseen during training without explicitly formulated physical constraints.

Rare object detection is a fundamental task in applied geospatial machine learning, however is often challenging due to large amounts of high-resolution satellite or aerial imagery and few or no labeled positive samples to start with. This paper addresses the problem of bootstrapping such a rare object detection task assuming there is no labeled data and no spatial prior over the area of interest. We propose novel offline and online cluster-based approaches for sampling patches that are significantly more efficient, in terms of exposing positive samples to a human annotator, than random sampling. We apply our methods for identifying bomas, or small enclosures for herd animals, in the Serengeti Mara region of Kenya and Tanzania. We demonstrate a significant enhancement in detection efficiency, achieving a positive sampling rate increase from 2% (random) to 30%. This advancement enables effective machine learning mapping even with minimal labeling budgets, exemplified by an F1 score on the boma detection task of 0.51 with a budget of 300 total patches.

Real-time flood forecasting plays a crucial role in enabling timely and effective emergency responses. However, a significant challenge lies in bridging the gap between complex numerical flood models and practical decision-making. Decision-makers often rely on experts to interpret these models for optimizing flood mitigation strategies. And the public requires complex techniques to inquiry and understand socio-cultural and institutional factors, often hinders the public's understanding of flood risks. To overcome these challenges, our study introduces an innovative solution: a customized AI Assistant powered by the GPT-4 Large Language Model. This AI Assistant is designed to facilitate effective communication between decision-makers, the general public, and flood forecasters, without the requirement of specialized knowledge. The new framework utilizes GPT-4's advanced natural language understanding and function calling capabilities to provide immediate flood alerts and respond to various flood-related inquiries. Our developed prototype integrates real-time flood warnings with flood maps and social vulnerability data. It also effectively translates complex flood zone information into actionable risk management advice. To assess its performance, we evaluated the prototype using six criteria within three main categories: relevance, error resilience, and understanding of context. Our research marks a significant step towards a more accessible and user-friendly approach in flood risk management. This study highlights the potential of advanced AI tools like GPT-4 in democratizing information and enhancing public engagement in critical social and environmental issues.

Imagine generating a city's electricity demand pattern based on weather, the presence of an electric vehicle, and location, which could be used for capacity planning during a winter freeze. Such real-world time series are often enriched with paired heterogeneous contextual metadata (weather, location, etc.). Current approaches to time series generation often ignore this paired metadata, and its heterogeneity poses several practical challenges in adapting existing conditional generation approaches from the image, audio, and video domains to the time series domain. To address this gap, we introduce Time Weaver, a novel diffusion-based model that leverages the heterogeneous metadata in the form of categorical, continuous, and even time-variant variables to significantly improve time series generation. Additionally, we show that naive extensions of standard evaluation metrics from the image to the time series domain are insufficient. These metrics do not penalize conditional generation approaches for their poor specificity in reproducing the metadata-specific features in the generated time series. Thus, we innovate a novel evaluation metric that accurately captures the specificity of conditional generation and the realism of the generated time series. We show that Time Weaver outperforms state-of-the-art benchmarks, such as Generative Adversarial Networks (GANs), by up to 27% in downstream classification tasks on real-world energy, medical, air quality, and traffic data sets.

Advances in machine learning have boosted the use of Earth observation data for climate change research. Yet, the interpretability of machine-learned representations remains a challenge, particularly in understanding forests' biophysical reactions to climate change. Traditional methods in remote sensing that invert radiative transfer models (RTMs) to retrieve biophysical variables from spectral data often fail to account for biases inherent in the RTM, especially for complex forests. We propose to integrate RTMs into an auto-encoder architecture, creating an end-to-end learning approach. Our method not only corrects biases in RTMs but also outperforms traditional techniques for variable retrieval like neural network regression. Furthermore, our framework has potential generally for inverting biased physical models. The code is available on https://github.com/yihshe/ai-refined-rtm.git.

Fig 1.1 Memory and non-memory components relationship Fig 1.2 Concept of artificial neural system in neuromorphic devices Fig 2.1 Memristor Symbol Fig 2.2 Current-voltage pinched hysteresis curve of memristor Fig 2.3 Memcapacitor Symbol Fig 2.4 Charge-voltage pinched hysteresis curve of memcapacitor Fig 2.5 Meminductor Symbol Fig 2.6 Current-flux pinched hysteresis curve of meminductor Fig 3.1 Device structure (a) TiOx-based memristor device (b) Si-based memcapacitor device Fig 3.2 Distribution of the TiOx memristor conductance in the HRS and LRS Fig 3.3 Training accuracy comparison of non-idealities (a) different device-todevice memductance variation (b) different cycle-to-cycle variation. Fig 3.4 The accuracy is influenced by the line resistance and the sneak paths Fig 3.5 Transistor level used in the framework (a) current sense amplifier (CSA), (b) voltage sense amplifier (VSA), (c) level shifter, and (d) successive approximation register (SAR) ADC. Fig 4.1 OTA (a) Symbol representation, and (b) MOSFETs realization Fig 4.2 Proposed meminductor emulator circuit Fig 4.3 An RLC neuromorphic circuit using meminductor for amoeba behavior Fig 4.4 Neuromorphic circuit using a meminductor for amoeba behavior Fig 4.5 Photograph of experimental setup Fig 4.6 Schematic of the hardware-implemented convolution layer Fig 4.7 Flowchart of CNN model training Fig 4.8 Structure of CNN implemented in software for classification of MNIST dataset Fig 4.9 Proposed meminductor based (a) VMM accelerator.

In recent years, operator learning, particularly the DeepONet, has received much attention for efficiently learning complex mappings between input and output functions across diverse fields. However, in practical scenarios with limited and noisy data, accessing the uncertainty in DeepONet predictions becomes essential, especially in mission-critical or safety-critical applications. Existing methods, either computationally intensive or yielding unsatisfactory uncertainty quantification, leave room for developing efficient and informative uncertainty quantification (UQ) techniques tailored for DeepONets. In this work, we proposed a novel inference approach for efficient UQ for operator learning by harnessing the power of the Ensemble Kalman Inversion (EKI) approach. EKI, known for its derivative-free, noise-robust, and highly parallelizable feature, has demonstrated its advantages for UQ for physics-informed neural networks [28]. Our innovative application of EKI enables us to efficiently train ensembles of DeepONets while obtaining informative uncertainty estimates for the output of interest. We deploy a mini-batch variant of EKI to accommodate larger datasets, mitigating the computational demand due to large datasets during the training stage. Furthermore, we introduce a heuristic method to estimate the artificial dynamics covariance, thereby improving our uncertainty estimates. Finally, we demonstrate the effectiveness and versatility of our proposed methodology across various benchmark problems, showcasing its potential to address the pressing challenges of uncertainty quantification in DeepONets, especially for practical applications with limited and noisy data.