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Bayesian inference for complex models with an intractable likelihood can be tackled using algorithms performing many calls to computer simulators. These approaches are collectively known as "simulation-based inference" (SBI). Recent SBI methods have made use of neural networks (NN) to provide approximate, yet expressive constructs for the unavailable likelihood function and the posterior distribution. However, they do not generally achieve an optimal trade-off between accuracy and computational demand. In this work, we propose an alternative that provides both approximations to the likelihood and the posterior distribution, using structured mixtures of probability distributions. Our approach produces accurate posterior inference when compared to state-of-the-art NN-based SBI methods, while exhibiting a much smaller computational footprint. We illustrate our results on several benchmark models from the SBI literature.

In Coevolving Latent Space Networks with Attractors (CLSNA) models, nodes in a latent space represent social actors, and edges indicate their dynamic interactions. Attractors are added at the latent level to capture the notion of attractive and repulsive forces between nodes, borrowing from dynamical systems theory. However, CLSNA reliance on MCMC estimation makes scaling difficult, and the requirement for nodes to be present throughout the study period limit practical applications. We address these issues by (i) introducing a Stochastic gradient descent (SGD) parameter estimation method, (ii) developing a novel approach for uncertainty quantification using SGD, and (iii) extending the model to allow nodes to join and leave over time. Simulation results show that our extensions result in little loss of accuracy compared to MCMC, but can scale to much larger networks. We apply our approach to the longitudinal social networks of members of US Congress on the social media platform X. Accounting for node dynamics overcomes selection bias in the network and uncovers uniquely and increasingly repulsive forces within the Republican Party.

First-order methods are often analyzed via their continuous-time models, where their worst-case convergence properties are usually approached via Lyapunov functions. In this work, we provide a systematic and principled approach to find and verify Lyapunov functions for classes of ordinary and stochastic differential equations. More precisely, we extend the performance estimation framework, originally proposed by Drori and Teboulle [10], to continuous-time models. We retrieve convergence results comparable to those of discrete methods using fewer assumptions and convexity inequalities, and provide new results for stochastic accelerated gradient flows.

This paper considers the finite element approximation to parabolic optimal control problems with measure data in a nonconvex polygonal domain. Such problems usually possess low regularity in the state variable due to the presence of measure data and the nonconvex nature of the domain. The low regularity of the solution allows the finite element approximations to converge at lower orders. We prove the existence, uniqueness and regularity results for the solution to the control problem satisfying the first order optimality condition. For our error analysis we have used piecewise linear elements for the approximation of the state and co-state variables, whereas piecewise constant functions are employed to approximate the control variable. The temporal discretization is based on the implicit Euler scheme. We derive both a priori and a posteriori error bounds for the state, control and co-state variables. Numerical experiments are performed to validate the theoretical rates of convergence.

Optimal estimation and inference for both the minimizer and minimum of a convex regression function under the white noise and nonparametric regression models are studied in a nonasymptotic local minimax framework, where the performance of a procedure is evaluated at individual functions. Fully adaptive and computationally efficient algorithms are proposed and sharp minimax lower bounds are given for both the estimation accuracy and expected length of confidence intervals for the minimizer and minimum. The nonasymptotic local minimax framework brings out new phenomena in simultaneous estimation and inference for the minimizer and minimum. We establish a novel uncertainty principle that provides a fundamental limit on how well the minimizer and minimum can be estimated simultaneously for any convex regression function. A similar result holds for the expected length of the confidence intervals for the minimizer and minimum.

Change-point detection, detecting an abrupt change in the data distribution from sequential data, is a fundamental problem in statistics and machine learning. CUSUM is a popular statistical method for online change-point detection due to its efficiency from recursive computation and constant memory requirement, and it enjoys statistical optimality. CUSUM requires knowing the precise pre- and post-change distribution. However, post-change distribution is usually unknown a priori since it represents anomaly and novelty. Classic CUSUM can perform poorly when there is a model mismatch with actual data. While likelihood ratio-based methods encounter challenges facing high dimensional data, neural networks have become an emerging tool for change-point detection with computational efficiency and scalability. In this paper, we introduce a neural network CUSUM (NN-CUSUM) for online change-point detection. We also present a general theoretical condition when the trained neural networks can perform change-point detection and what losses can achieve our goal. We further extend our analysis by combining it with the Neural Tangent Kernel theory to establish learning guarantees for the standard performance metrics, including the average run length (ARL) and expected detection delay (EDD). The strong performance of NN-CUSUM is demonstrated in detecting change-point in high-dimensional data using both synthetic and real-world data.

Efficient and accurate algorithms are necessary to reconstruct particles in the highly granular detectors anticipated at the High-Luminosity Large Hadron Collider and the Future Circular Collider. We study scalable machine learning models for event reconstruction in electron-positron collisions based on a full detector simulation. Particle-flow reconstruction can be formulated as a supervised learning task using tracks and calorimeter clusters. We compare a graph neural network and kernel-based transformer and demonstrate that we can avoid quadratic operations while achieving realistic reconstruction. We show that hyperparameter tuning significantly improves the performance of the models. The best graph neural network model shows improvement in the jet transverse momentum resolution by up to 50% compared to the rule-based algorithm. The resulting model is portable across Nvidia, AMD and Habana hardware. Accurate and fast machine-learning based reconstruction can significantly improve future measurements at colliders.

Distributed control increases system scalability, flexibility, and redundancy. Foundational to such decentralisation is consensus formation, by which decision-making and coordination are achieved. However, decentralised multi-agent systems are inherently vulnerable to disruption. To develop a resilient consensus approach, inspiration is taken from the study of social systems and their dynamics; specifically, the Deffuant Model. A dynamic algorithm is presented enabling efficient consensus to be reached with an unknown number of disruptors present within a multi-agent system. By inverting typical social tolerance, agents filter out extremist non-standard opinions that would drive them away from consensus. This approach allows distributed systems to deal with unknown disruptions, without knowledge of the network topology or the numbers and behaviours of the disruptors. A disruptor-agnostic algorithm is particularly suitable to real-world applications where this information is typically unknown. Faster and tighter convergence can be achieved across a range of scenarios with the social dynamics inspired algorithm, compared with standard Mean-Subsequence-Reduced-type methods.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

Recent advances in 3D fully convolutional networks (FCN) have made it feasible to produce dense voxel-wise predictions of volumetric images. In this work, we show that a multi-class 3D FCN trained on manually labeled CT scans of several anatomical structures (ranging from the large organs to thin vessels) can achieve competitive segmentation results, while avoiding the need for handcrafting features or training class-specific models. To this end, we propose a two-stage, coarse-to-fine approach that will first use a 3D FCN to roughly define a candidate region, which will then be used as input to a second 3D FCN. This reduces the number of voxels the second FCN has to classify to ~10% and allows it to focus on more detailed segmentation of the organs and vessels. We utilize training and validation sets consisting of 331 clinical CT images and test our models on a completely unseen data collection acquired at a different hospital that includes 150 CT scans, targeting three anatomical organs (liver, spleen, and pancreas). In challenging organs such as the pancreas, our cascaded approach improves the mean Dice score from 68.5 to 82.2%, achieving the highest reported average score on this dataset. We compare with a 2D FCN method on a separate dataset of 240 CT scans with 18 classes and achieve a significantly higher performance in small organs and vessels. Furthermore, we explore fine-tuning our models to different datasets. Our experiments illustrate the promise and robustness of current 3D FCN based semantic segmentation of medical images, achieving state-of-the-art results. Our code and trained models are available for download: //github.com/holgerroth/3Dunet_abdomen_cascade.