The world is in a climate crisis. With average global temperatures increasing every year, the threat of seasonal forest fires is becoming increasingly worse. In places like the Pacific Northwest, wildfire season causes extensive damage to woodlands, rural communities, and townships, destroying farmlands and infrastructure and forcing hundreds of thousands of residents to flee their homes. These fires also lead to terrible air quality in cities located hundreds (or even thousands) of miles away. For instance, in September of 2022, the city of Vancouver (British Columbia) was ranked as having the worst air quality in the world - per the Air Quality Index (AQI).

Researchers have noted that Austrian talent has increasingly gained attention from Silicon Valley tech corporations in prior years, leading to local AI operations at Amazon, Meta (Facebook), and Snap. The initial wave of AI Hubs launched primarily focused on doing AI research in Austria with the help of local expertise and little involvement with the neighborhood. This trend gained traction over the last year, resulting in the development of AI Centers of Excellence, the establishment of AI businesses' European offices, and the incorporation of foreign startups in Austria. Here are some of the cool artificial intelligence startups/businesses that are innovating the Artificial Intelligence market in various ways, but they are all outstanding businesses worth following. Adverity, founded in 2015, assesses and visualizes expenses, performance, and returns. They also identify anomalies and suggest the best money to spend on each marketing channel. The product suite is utilized by well-known companies like Red Bull, IKEA, and Zurich Insurance and is accessible to agencies, brands, and e-commerce providers.

The application of machine learning to predicting the properties of small and large discrete (single) molecules and complex materials (polymeric, extended or mixtures of molecules) has been increasing exponentially over the past few decades. Unlike physics-based and rule-based computational systems, machine learning algorithms can learn complex relationships between physicochemical and process parameters and their useful properties for an extremely diverse range of molecular entities. Both the breadth of machine learning methods and the range of physical, chemical, materials, biological, medical and many other application areas have increased markedly in the past decade. This Account summarises three decades of research into improved cheminformatics and machine learning methods and their application to drug design, regenerative medicine, biomaterials, porous and 2D materials, catalysts, biomarkers, surface science, physicochemical and phase properties, nanomaterials, electrical and optical properties, corrosion and battery research. Science has always been fascinated by change, uncovering new aspects of Nature and finding useful ways to exploit them to meet global challenges. The rate of change is accelerating, with average time between innovations decreasing exponentially (Figure 1). Computational molecular design prior to 1990 was focused on the use of computationally expensive physics-based methods like molecular modelling, molecular mechanics, molecular dynamics and quantum chemistry. The quantitative structure–activity relationship (QSAR) methods, developed by Hansch and Fujita in the 1960s, were based on the observation that changes in the constitution of small organic molecules generated a corresponding change in their biological activities. Regression methods were used to find relationships between structure, encoded by mathematical entities called descriptors or features, and biological properties of small organic molecules, also numerically encoded. QSAR use was limited to modelling of small data sets of molecules with similar scaffolds, with the primary aim of understanding the molecular basis for drug (or agrochemical) action. As they were not mechanism- or physics-based, their empirical nature created doubt as to their efficacy, the question of when correlation means causation (still an important issue), and lack of data were major barriers to their wider adoption. After that time, technological developments involving automation, computational power, algorithms, synthesis and informatics have maintained this exponential acceleration.

Technology developed at Argonne can help narrow the field of candidates for molten salts, a new study demonstrates. Scientists are searching for new materials to advance the next generation of nuclear power plants. In a recent study, researchers at the U.S. Department of Energy's (DOE) Argonne National Laboratory showed how artificial intelligence could help pinpoint the right types of molten salts, a key component for advanced nuclear reactors. The ability to absorb and store heat makes molten salt important to clean energy and national climate goals. Molten salts can serve as both coolant and fuel in nuclear power reactors that generate electricity without emitting greenhouse gases.

For ensuring vehicle safety, the impact performance of wheels during wheel development must be ensured through a wheel impact test. However, manufacturing and testing a real wheel requires a significant time and money because developing an optimal wheel design requires numerous iterative processes to modify the wheel design and verify the safety performance. Accordingly, wheel impact tests have been replaced by computer simulations such as finite element analysis (FEA); however, it still incurs high computational costs for modeling and analysis, and requires FEA experts. In this study, we present an aluminum road wheel impact performance prediction model based on deep learning that replaces computationally expensive and time-consuming 3D FEA. For this purpose, 2D disk-view wheel image data, 3D wheel voxel data, and barrier mass values used for the wheel impact test were utilized as the inputs to predict the magnitude of the maximum von Mises stress, corresponding location, and the stress distribution of the 2D disk-view. The input data were first compressed into a latent space with a 3D convolutional variational autoencoder (cVAE) and 2D convolutional autoencoder (cAE). Subsequently, the fully connected layers were used to predict the impact performance, and a decoder was used to predict the stress distribution heatmap of the 2D disk-view. The proposed model can replace the impact test in the early wheel-development stage by predicting the impact performance in real-time and can be used without domain knowledge. The time required for the wheel development process can be reduced by using this mechanism.

A recent line of work has shown remarkable behaviors of the generalization error curves in simple learning models. Even the least-squares regression has shown atypical features such as the model-wise double descent, and further works have observed triple or multiple descents. Another important characteristic are the epoch-wise descent structures which emerge during training. The observations of model-wise and epoch-wise descents have been analytically derived in limited theoretical settings (such as the random feature model) and are otherwise experimental. In this work, we provide a full and unified analysis of the whole time-evolution of the generalization curve, in the asymptotic large-dimensional regime and under gradient-flow, within a wider theoretical setting stemming from a gaussian covariate model. In particular, we cover most cases already disparately observed in the literature, and also provide examples of the existence of multiple descent structures as a function of a model parameter or time. Furthermore, we show that our theoretical predictions adequately match the learning curves obtained by gradient descent over realistic datasets. Technically we compute averages of rational expressions involving random matrices using recent developments in random matrix theory based on "linear pencils". Another contribution, which is also of independent interest in random matrix theory, is a new derivation of related fixed point equations (and an extension there-off) using Dyson brownian motions.

In collider-based particle and nuclear physics experiments, data are produced at such extreme rates that only a subset can be recorded for later analysis. Typically, algorithms select individual collision events for preservation and store the complete experimental response. A relatively new alternative strategy is to additionally save a partial record for a larger subset of events, allowing for later specific analysis of a larger fraction of events. We propose a strategy that bridges these paradigms by compressing entire events for generic offline analysis but at a lower fidelity. An optimal-transport-based $\beta$ Variational Autoencoder (VAE) is used to automate the compression and the hyperparameter $\beta$ controls the compression fidelity. We introduce a new approach for multi-objective learning functions by simultaneously learning a VAE appropriate for all values of $\beta$ through parameterization. We present an example use case, a di-muon resonance search at the Large Hadron Collider (LHC), where we show that simulated data compressed by our $\beta$-VAE has enough fidelity to distinguish distinct signal morphologies.

Nowadays, the PQ flexibility from the distributed energy resources (DERs) in the high voltage (HV) grids plays a more critical and significant role in grid congestion management in TSO grids. This work proposed a multi-stage deep reinforcement learning approach to estimate the PQ flexibility (PQ area) at the TSO-DSO interfaces and identifies the DER PQ setpoints for each operating point in a way, that DERs in the meshed HV grid can be coordinated to offer flexibility for the transmission grid. In the estimation process, we consider the steady-state grid limits and the robustness in the resulting voltage profile against uncertainties and the N-1 security criterion regarding thermal line loading, essential for real-life grid operational planning applications. Using deep reinforcement learning (DRL) for PQ flexibility estimation is the first of its kind. Furthermore, our approach of considering N-1 security criterion for meshed grids and robustness against uncertainty directly in the optimization tasks offers a new perspective besides the common relaxation schema in finding a solution with mathematical optimal power flow (OPF). Finally, significant improvements in the computational efficiency in estimation PQ area are the highlights of the proposed method.

A framework for creating and updating digital twins for dynamical systems from a library of physics-based functions is proposed. The sparse Bayesian machine learning is used to update and derive an interpretable expression for the digital twin. Two approaches for updating the digital twin are proposed. The first approach makes use of both the input and output information from a dynamical system, whereas the second approach utilizes output-only observations to update the digital twin. Both methods use a library of candidate functions representing certain physics to infer new perturbation terms in the existing digital twin model. In both cases, the resulting expressions of updated digital twins are identical, and in addition, the epistemic uncertainties are quantified. In the first approach, the regression problem is derived from a state-space model, whereas in the latter case, the output-only information is treated as a stochastic process. The concepts of It\^o calculus and Kramers-Moyal expansion are being utilized to derive the regression equation. The performance of the proposed approaches is demonstrated using highly nonlinear dynamical systems such as the crack-degradation problem. Numerical results demonstrated in this paper almost exactly identify the correct perturbation terms along with their associated parameters in the dynamical system. The probabilistic nature of the proposed approach also helps in quantifying the uncertainties associated with updated models. The proposed approaches provide an exact and explainable description of the perturbations in digital twin models, which can be directly used for better cyber-physical integration, long-term future predictions, degradation monitoring, and model-agnostic control.

In this paper, we propose a new short-term load forecasting (STLF) model based on contextually enhanced hybrid and hierarchical architecture combining exponential smoothing (ES) and a recurrent neural network (RNN). The model is composed of two simultaneously trained tracks: the context track and the main track. The context track introduces additional information to the main track. It is extracted from representative series and dynamically modulated to adjust to the individual series forecasted by the main track. The RNN architecture consists of multiple recurrent layers stacked with hierarchical dilations and equipped with recently proposed attentive dilated recurrent cells. These cells enable the model to capture short-term, long-term and seasonal dependencies across time series as well as to weight dynamically the input information. The model produces both point forecasts and predictive intervals. The experimental part of the work performed on 35 forecasting problems shows that the proposed model outperforms in terms of accuracy its predecessor as well as standard statistical models and state-of-the-art machine learning models.