This paper proposes a new way to learn Physics-Informed Neural Network loss functions using Generalized Additive Models. We apply our method by meta-learning parametric partial differential equations, PDEs, on Burger's and 2D Heat Equations. The goal is to learn a new loss function for each parametric PDE using meta-learning. The derived loss function replaces the traditional data loss, allowing us to learn each parametric PDE more efficiently, improving the meta-learner's performance and convergence.

Particle accelerators are complex and comprise thousands of components, with many pieces of equipment running at their peak power. Consequently, particle accelerators can fault and abort operations for numerous reasons. These faults impact the availability of particle accelerators during scheduled run-time and hamper the efficiency and the overall science output. To avoid these faults, we apply anomaly detection techniques to predict any unusual behavior and perform preemptive actions to improve the total availability of particle accelerators. Semi-supervised Machine Learning (ML) based anomaly detection approaches such as autoencoders and variational autoencoders are often used for such tasks. However, supervised ML techniques such as Siamese Neural Network (SNN) models can outperform unsupervised or semi-supervised approaches for anomaly detection by leveraging the label information. One of the challenges specific to anomaly detection for particle accelerators is the data's variability due to system configuration changes. To address this challenge, we employ Conditional Siamese Neural Network (CSNN) models and Conditional Variational Auto Encoder (CVAE) models to predict errant beam pulses at the Spallation Neutron Source (SNS) under different system configuration conditions and compare their performance. We demonstrate that CSNN outperforms CVAE in our application.

Physics-informed neural networks have emerged as a coherent framework for building predictive models that combine statistical patterns with domain knowledge. The underlying notion is to enrich the optimization loss function with known relationships to constrain the space of possible solutions. Hydrodynamic simulations are a core constituent of modern cosmology, while the required computations are both expensive and time-consuming. At the same time, the comparatively fast simulation of dark matter requires fewer resources, which has led to the emergence of machine learning algorithms for baryon inpainting as an active area of research; here, recreating the scatter found in hydrodynamic simulations is an ongoing challenge. This paper presents the first application of physics-informed neural networks to baryon inpainting by combining advances in neural network architectures with physical constraints, injecting theory on baryon conversion efficiency into the model loss function. We also introduce a punitive prediction comparison based on the Kullback-Leibler divergence, which enforces scatter reproduction. By simultaneously extracting the complete set of baryonic properties for the Simba suite of cosmological simulations, our results demonstrate improved accuracy of baryonic predictions based on dark matter halo properties and successful recovery of the fundamental metallicity relation, and retrieve scatter that traces the target simulation's distribution.

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

The recent increase in volume and complexity of available astronomical data has led to a wide use of supervised machine learning techniques. Active learning strategies have been proposed as an alternative to optimize the distribution of scarce labeling resources. However, due to the specific conditions in which labels can be acquired, fundamental assumptions, such as sample representativeness and labeling cost stability cannot be fulfilled. The Recommendation System for Spectroscopic follow-up (RESSPECT) project aims to enable the construction of optimized training samples for the Rubin Observatory Legacy Survey of Space and Time (LSST), taking into account a realistic description of the astronomical data environment. In this work, we test the robustness of active learning techniques in a realistic simulated astronomical data scenario. Our experiment takes into account the evolution of training and pool samples, different costs per object, and two different sources of budget. Results show that traditional active learning strategies significantly outperform random sampling. Nevertheless, more complex batch strategies are not able to significantly overcome simple uncertainty sampling techniques. Our findings illustrate three important points: 1) active learning strategies are a powerful tool to optimize the label-acquisition task in astronomy, 2) for upcoming large surveys like LSST, such techniques allow us to tailor the construction of the training sample for the first day of the survey, and 3) the peculiar data environment related to the detection of astronomical transients is a fertile ground that calls for the development of tailored machine learning algorithms.

The ability to build a model on a source task and subsequently adapt such model on a new target task is a pervasive need in many astronomical applications. The problem is generally known as transfer learning in machine learning, where domain adaptation is a popular scenario. An example is to build a predictive model on spectroscopic data to identify Supernovae IA, while subsequently trying to adapt such model on photometric data. In this paper we propose a new general approach to domain adaptation that does not rely on the proximity of source and target distributions. Instead we simply assume a strong similarity in model complexity across domains, and use active learning to mitigate the dependency on source examples. Our work leads to a new formulation for the likelihood as a function of empirical error using a theoretical learning bound; the result is a novel mapping from generalization error to a likelihood estimation. Results using two real astronomical problems, Supernova Ia classification and identification of Mars landforms, show two main advantages with our approach: increased accuracy performance and substantial savings in computational cost.

Deep learning has recently been shown to be instrumental in the problem of domain adaptation, where the goal is to learn a model on a target domain using a similar --but not identical-- source domain. The rationale for coupling both techniques is the possibility of extracting common concepts across domains. Considering (strictly) local representations, traditional deep learning assumes common concepts must be captured in the same hidden units. We contend that jointly training a model with source and target data using a single deep network is prone to failure when there is inherently lower-level representational discrepancy between the two domains; such discrepancy leads to a misalignment of corresponding concepts in separate hidden units. We introduce a search framework to correctly align high-level representations when training deep networks; such framework leads to the notion of conceptual --as opposed to representational-- domain adaptation.

We describe a data complexity approach to kernel selection based on the behavior of polynomial and Gaussian kernels. Our resultsshow how the use of a Gaussian kernel produces a gram matrix with useful local information that has no equivalent counterpart inpolynomial kernels.By exploiting neighborhood information embedded by data complexity measures, we are able to carry out a form of meta-generalization.Our goal is to predict which data sets are more favorable to particular kernels (Gaussian or polynomial).The end result is a framework to improve the model selection process in Support Vector Machines.