The upcoming landscape of Earth Observation missions will defined by networked heterogeneous nanosatellite constellations required to meet strict mission requirements, such as revisit times and spatial resolution. However, scheduling satellite communications in these satellite networks through efficiently creating a global satellite Contact Plan (CP) is a complex task, with current solutions requiring ground-based coordination or being limited by onboard computational resources. The paper proposes a novel approach to overcome these challenges by modeling the constellations and CP as dynamic networks and employing graph-based techniques. The proposed method utilizes a state-of-the-art dynamic graph neural network to evaluate the performance of a given CP and update it using a heuristic algorithm based on simulated annealing. The trained neural network can predict the network delay with a mean absolute error of 3.6 minutes. Simulation results show that the proposed method can successfully design a contact plan for large satellite networks, improving the delay by 29.1%, similar to a traditional approach, while performing the objective evaluations 20x faster.

Background Large Language Models (LLMs), enhanced with Clinical Practice Guidelines (CPGs), can significantly improve Clinical Decision Support (CDS). However, methods for incorporating CPGs into LLMs are not well studied. Methods We develop three distinct methods for incorporating CPGs into LLMs: Binary Decision Tree (BDT), Program-Aided Graph Construction (PAGC), and Chain-of-Thought-Few-Shot Prompting (CoT-FSP). To evaluate the effectiveness of the proposed methods, we create a set of synthetic patient descriptions and conduct both automatic and human evaluation of the responses generated by four LLMs: GPT-4, GPT-3.5 Turbo, LLaMA, and PaLM 2. Zero-Shot Prompting (ZSP) was used as the baseline method. We focus on CDS for COVID-19 outpatient treatment as the case study. Results All four LLMs exhibit improved performance when enhanced with CPGs compared to the baseline ZSP. BDT outperformed both CoT-FSP and PAGC in automatic evaluation. All of the proposed methods demonstrated high performance in human evaluation. Conclusion LLMs enhanced with CPGs demonstrate superior performance, as compared to plain LLMs with ZSP, in providing accurate recommendations for COVID-19 outpatient treatment, which also highlights the potential for broader applications beyond the case study.

Recent advancements in generative machine learning have enabled rapid progress in biological design tools (BDTs) such as protein structure and sequence prediction models. The unprecedented predictive accuracy and novel design capabilities of BDTs present new and significant dual-use risks. For example, their predictive accuracy allows biological agents, whether vaccines or pathogens, to be developed more quickly, while the design capabilities could be used to discover drugs or evade DNA screening techniques. Similar to other dual-use AI systems, BDTs present a wicked problem: how can regulators uphold public safety without stifling innovation? We highlight how current regulatory proposals that are primarily tailored toward large language models may be less effective for BDTs, which require fewer computational resources to train and are often developed in an open-source manner. We propose a range of measures to mitigate the risk that BDTs are misused, across the areas of responsible development, risk assessment, transparency, access management, cybersecurity, and investing in resilience. Implementing such measures will require close coordination between developers and governments.

This paper presents a computational framework for the Wasserstein auto-encoding of merge trees (MT-WAE), a novel extension of the classical auto-encoder neural network architecture to the Wasserstein metric space of merge trees. In contrast to traditional auto-encoders which operate on vectorized data, our formulation explicitly manipulates merge trees on their associated metric space at each layer of the network, resulting in superior accuracy and interpretability. Our novel neural network approach can be interpreted as a non-linear generalization of previous linear attempts [79] at merge tree encoding. It also trivially extends to persistence diagrams. Extensive experiments on public ensembles demonstrate the efficiency of our algorithms, with MT-WAE computations in the orders of minutes on average. We show the utility of our contributions in two applications adapted from previous work on merge tree encoding [79]. First, we apply MT-WAE to merge tree compression, by concisely representing them with their coordinates in the final layer of our auto-encoder. Second, we document an application to dimensionality reduction, by exploiting the latent space of our auto-encoder, for the visual analysis of ensemble data. We illustrate the versatility of our framework by introducing two penalty terms, to help preserve in the latent space both the Wasserstein distances between merge trees, as well as their clusters. In both applications, quantitative experiments assess the relevance of our framework. Finally, we provide a C++ implementation that can be used for reproducibility.

Deep reinforcement learning (DRL) techniques have become increasingly used in various fields for decision-making processes. However, a challenge that often arises is the trade-off between both the computational efficiency of the decision-making process and the ability of the learned agent to solve a particular task. This is particularly critical in real-time settings such as video games where the agent needs to take relevant decisions at a very high frequency, with a very limited inference time. In this work, we propose a generic offline learning approach where the computation cost of the input features is taken into account. We derive the Budgeted Decision Transformer as an extension of the Decision Transformer that incorporates cost constraints to limit its cost at inference. As a result, the model can dynamically choose the best input features at each timestep. We demonstrate the effectiveness of our method on several tasks, including D4RL benchmarks and complex 3D environments similar to those found in video games, and show that it can achieve similar performance while using significantly fewer computational resources compared to classical approaches.

The Majorana Demonstrator is a leading experiment searching for neutrinoless double-beta decay with high purity germanium detectors (HPGe). Machine learning provides a new way to maximize the amount of information provided by these detectors, but the data-driven nature makes it less interpretable compared to traditional analysis. An interpretability study reveals the machine's decision-making logic, allowing us to learn from the machine to feedback to the traditional analysis. In this work, we have presented the first machine learning analysis of the data from the Majorana Demonstrator; this is also the first interpretable machine learning analysis of any germanium detector experiment. Two gradient boosted decision tree models are trained to learn from the data, and a game-theory-based model interpretability study is conducted to understand the origin of the classification power. By learning from data, this analysis recognizes the correlations among reconstruction parameters to further enhance the background rejection performance. By learning from the machine, this analysis reveals the importance of new background categories to reciprocally benefit the standard Majorana analysis. This model is highly compatible with next-generation germanium detector experiments like LEGEND since it can be simultaneously trained on a large number of detectors.

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours to compute from first principles. Since the necessary number of data points per simulation is on the order of $10^9$ - $10^{12}$, machine learning regressors can be used in place of physics simulators to significantly reduce this computational burden. However, this task requires high-precision regressors that can deliver data with relative errors of less than $1\%$ or even $0.1\%$ over the entire domain of the function. In this paper, we develop optimal training strategies and tune various machine learning regressors to satisfy the high-precision requirement. We leverage symmetry arguments from particle physics to optimize the performance of the regressors. Inspired by ResNets, we design a Deep Neural Network with skip connections that outperform fully connected Deep Neural Networks. We find that at lower dimensions, boosted decision trees far outperform neural networks while at higher dimensions neural networks perform significantly better. We show that these regressors can speed up simulations by a factor of $10^3$ - $10^6$ over the first-principles computations currently used in Monte Carlo simulations. Additionally, using symmetry arguments derived from particle physics, we reduce the number of regressors necessary for each simulation by an order of magnitude. Our work can significantly reduce the training and storage burden of Monte Carlo simulations at current and future collider experiments.

This paper presents a computational framework for the Principal Geodesic Analysis of merge trees (MT-PGA), a novel adaptation of the celebrated Principal Component Analysis (PCA) framework [87] to the Wasserstein metric space of merge trees [92]. We formulate MT-PGA computation as a constrained optimization problem, aiming at adjusting a basis of orthogonal geodesic axes, while minimizing a fitting energy. We introduce an efficient, iterative algorithm which exploits shared-memory parallelism, as well as an analytic expression of the fitting energy gradient, to ensure fast iterations. Our approach also trivially extends to extremum persistence diagrams. Extensive experiments on public ensembles demonstrate the efficiency of our approach - with MT-PGA computations in the orders of minutes for the largest examples. We show the utility of our contributions by extending to merge trees two typical PCA applications. First, we apply MT-PGA to data reduction and reliably compress merge trees by concisely representing them by their first coordinates in the MT-PGA basis. Second, we present a dimensionality reduction framework exploiting the first two directions of the MT-PGA basis to generate two-dimensional layouts of the ensemble. We augment these layouts with persistence correlation views, enabling global and local visual inspections of the feature variability in the ensemble. In both applications, quantitative experiments assess the relevance of our framework. Finally, we provide a C++ implementation that can be used to reproduce our results.

Decisions and the underlying rules are indispensable for driving process execution during runtime, i.e., for routing process instances at alternative branches based on the values of process data. Decision rules can comprise unary data conditions, e.g., age > 40, binary data conditions where the relation between two or more variables is relevant, e.g. temperature1 < temperature2, and more complex conditions that refer to, for example, parts of a medical image. Decision discovery aims at automatically deriving decision rules from process event logs. Existing approaches focus on the discovery of unary, or in some instances binary data conditions. The discovered decision rules are usually evaluated using accuracy, but not with regards to their semantics and meaningfulness, although this is crucial for validation and the subsequent implementation/adaptation of the decision rules. Hence, this paper compares three decision mining approaches, i.e., two existing ones and one newly described approach, with respect to the meaningfulness of their results. For comparison, we use one synthetic data set for a realistic manufacturing case and the two real-world BPIC 2017/2020 logs. The discovered rules are discussed with regards to their semantics and meaningfulness.

We present a novel implementation of classification using the machine learning / artificial intelligence method called boosted decision trees (BDT) on field programmable gate arrays (FPGA). The firmware implementation of binary classification requiring 100 training trees with a maximum depth of 4 using four input variables gives a latency value of about 10 ns, independent of the clock speed from 100 to 320 MHz in our setup. The low timing values are achieved by restructuring the BDT layout and reconfiguring its parameters. The FPGA resource utilization is also kept low at a range from 0.01% to 0.2% in our setup. A software package called fwXmachina achieves this implementation. Our intended user is an expert of custom electronics-based trigger systems in high energy physics experiments or anyone that needs decisions at the lowest latency values for real-time event classification. Two problems from high energy physics are considered, in the separation of electrons vs. photons and in the selection of vector boson fusion-produced Higgs bosons vs. the rejection of the multijet processes.