Regularizing neural networks is important for anticipating model behavior in regions of the data space that are not well represented. In this work, we propose a regularization technique for enforcing a level of smoothness in the mapping between the data input space and the loss value. We specify the level of regularity by requiring that the loss of the network satisfies an elliptic operator over the data domain. To do this, we modify the usual empirical risk minimization objective such that we instead minimize a new objective that satisfies an elliptic operator over points within the domain. This allows us to use existing theory on elliptic operators to anticipate the behavior of the error for points outside the training set. We propose a tractable computational method that approximates the behavior of the elliptic operator while being computationally efficient. Finally, we analyze the properties of the proposed regularization to understand the performance on common problems of distribution shift and group imbalance. Numerical experiments confirm the utility of the proposed regularization technique.

Optimization techniques have become increasingly critical due to the ever-growing model complexity and data scale. In particular, teleportation has emerged as a promising approach, which accelerates convergence of gradient descent-based methods by navigating within the loss invariant level set to identify parameters with advantageous geometric properties. Existing teleportation algorithms have primarily demonstrated their effectiveness in optimizing Multi-Layer Perceptrons (MLPs), but their extension to more advanced architectures, such as Convolutional Neural Networks (CNNs) and Transformers, remains challenging. Moreover, they often impose significant computational demands, limiting their applicability to complex architectures. To this end, we introduce an algorithm that projects the gradient of the teleportation objective function onto the input null space, effectively preserving the teleportation within the loss invariant level set and reducing computational cost. Our approach is readily generalizable from MLPs to CNNs, transformers, and potentially other advanced architectures. We validate the effectiveness of our algorithm across various benchmark datasets and optimizers, demonstrating its broad applicability.

Time series forecasting has recently achieved significant progress with multi-scale models to address the heterogeneity between long and short range patterns. Despite their state-of-the-art performance, we identify two potential areas for improvement. First, the variates of the multivariate time series are processed independently. Moreover, the multi-scale (long and short range) representations are learned separately by two independent models without communication. In light of these concerns, we propose State Space Transformer with cross-attention (S2TX). S2TX employs a cross-attention mechanism to integrate a Mamba model for extracting long-range cross-variate context and a Transformer model with local window attention to capture short-range representations. By cross-attending to the global context, the Transformer model further facilitates variate-level interactions as well as local/global communications. Comprehensive experiments on seven classic long-short range time-series forecasting benchmark datasets demonstrate that S2TX can achieve highly robust SOTA results while maintaining a low memory footprint.

In this paper, we introduce a new approach for integrating score-based models with the Metropolis-Hastings algorithm. While traditional score-based diffusion models excel in accurately learning the score function from data points, they lack an energy function, making the Metropolis-Hastings adjustment step inaccessible. Consequently, the unadjusted Langevin algorithm is often used for sampling using estimated score functions. The lack of an energy function then prevents the application of the Metropolis-adjusted Langevin algorithm and other Metropolis-Hastings methods, limiting the wealth of other algorithms developed that use acceptance functions. We address this limitation by introducing a new loss function based on the \emph{detailed balance condition}, allowing the estimation of the Metropolis-Hastings acceptance probabilities given a learned score function. We demonstrate the effectiveness of the proposed method for various scenarios, including sampling from heavy-tail distributions.

Accelerating model convergence in resource-constrained environments is essential for fast and efficient neural network training. This work presents learn2mix, a new training strategy that adaptively adjusts class proportions within batches, focusing on classes with higher error rates. Empirical evaluations on benchmark datasets show that neural networks trained with learn2mix converge faster than those trained with classical approaches, achieving improved results for classification, regression, and reconstruction tasks under limited training resources and with imbalanced classes. Our empirical findings are supported by theoretical analysis. Despite their ability to learn and model complex, nonlinear relationships, deep neural networks often require substantial computational resources during training. In resource-constrained environments, this demand poses a significant challenge (Goyal et al., 2017), making the development of efficient and scalable training methodologies increasingly crucial to fully leverage the capabilities of deep neural networks. Training deep neural networks relies on the notion of empirical risk minimization (Vapnik & Bottou, 1993), and typically involves optimizing a loss function using gradient-based algorithms (Rumelhart et al., 1986; Bottou, 2010; Kingma & Ba, 2014). Techniques such as regularization (Srivastava et al., 2014; Ioffe & Szegedy, 2015) and data augmentation (Shorten & Khoshgoftaar, 2019), learning rate scheduling, (Smith, 2017) and early stopping (Prechelt, 1998), are commonly employed to enhance generalization and prevent overfitting. However, the efficiency of the training process itself remains a critical concern, particularly in terms of convergence speed and computational resources. Within this context, adaptive training strategies, which target enhanced generalization by modifying aspects of the training process, have emerged as promising approaches.

Many challenges in science and engineering, such as drug discovery and communication network design, involve optimizing complex and expensive black-box functions across vast search spaces. Thus, it is essential to leverage existing data to avoid costly active queries of these black-box functions. To this end, while Offline Black-Box Optimization (BBO) is effective for deterministic problems, it may fall short in capturing the stochasticity of real-world scenarios. To address this, we introduce Stochastic Offline BBO (SOBBO), which tackles both black-box objectives and uncontrolled uncertainties. We propose two solutions: for large-data regimes, a differentiable surrogate allows for gradient-based optimization, while for scarce-data regimes, we directly estimate gradients under conservative field constraints, improving robustness, convergence, and data efficiency. Numerical experiments demonstrate the effectiveness of our approach on both synthetic and real-world tasks.

The multivariate Gaussian distribution underpins myriad operations-research, decision-analytic, and machine-learning models (e.g., Bayesian optimization, Gaussian influence diagrams, and variational autoencoders). However, despite recent advances in adversarial machine learning (AML), inference for Gaussian models in the presence of an adversary is notably understudied. Therefore, we consider a self-interested attacker who wishes to disrupt a decisionmaker's conditional inference and subsequent actions by corrupting a set of evidentiary variables. To avoid detection, the attacker also desires the attack to appear plausible wherein plausibility is determined by the density of the corrupted evidence. We consider white- and grey-box settings such that the attacker has complete and incomplete knowledge about the decisionmaker's underlying multivariate Gaussian distribution, respectively. Select instances are shown to reduce to quadratic and stochastic quadratic programs, and structural properties are derived to inform solution methods. We assess the impact and efficacy of these attacks in three examples, including, real estate evaluation, interest rate estimation and signals processing. Each example leverages an alternative underlying model, thereby highlighting the attacks' broad applicability. Through these applications, we also juxtapose the behavior of the white- and grey-box attacks to understand how uncertainty and structure affect attacker behavior.

This paper addresses the problem of detecting changes when only unnormalized pre- and post-change distributions are accessible. This situation happens in many scenarios in physics such as in ferromagnetism, crystallography, magneto-hydrodynamics, and thermodynamics, where the energy models are difficult to normalize. Our approach is based on the estimation of the Cumulative Sum (CUSUM) statistics, which is known to produce optimal performance. We first present an intuitively appealing approximation method. Unfortunately, this produces a biased estimator of the CUSUM statistics and may cause performance degradation. We then propose the Log-Partition Approximation Cumulative Sum (LPA-CUSUM) algorithm based on thermodynamic integration (TI) in order to estimate the log-ratio of normalizing constants of pre- and post-change distributions. It is proved that this approach gives an unbiased estimate of the log-partition function and the CUSUM statistics, and leads to an asymptotically optimal performance. Moreover, we derive a relationship between the required sample size for thermodynamic integration and the desired detection delay performance, offering guidelines for practical parameter selection. Numerical studies are provided demonstrating the efficacy of our approach.

Parabolic partial differential equations (PDEs) appear in many disciplines to model the evolution of various mathematical objects, such as probability flows, value functions in control theory, and derivative prices in finance. It is often necessary to compute the solutions or a function of the solutions to a parametric PDE in multiple scenarios corresponding to different parameters of this PDE. This process often requires resolving the PDEs from scratch, which is time-consuming. To better employ existing simulations for the PDEs, we propose a framework for finding solutions to parabolic PDEs across different scenarios by meta-learning an underlying base distribution. We build upon this base distribution to propose a method for computing solutions to parametric PDEs under different parameter settings. Finally, we illustrate the application of the proposed methods through extensive experiments in generative modeling, stochastic control, and finance. The empirical results suggest that the proposed approach improves generalization to solving PDEs under new parameter regimes.

Methods in the field of quickest change detection rapidly detect in real-time a change in the data-generating distribution of an online data stream. Existing methods have been able to detect this change point when the densities of the pre-and post-change distributions are known. Recent work has extended these results to the case where the pre-and post-change distributions are known only by their score functions. This work considers the case where the pre-and post-change score functions are known only to correspond to distributions in two disjoint sets. This work employs a pair of "least-favorable" distributions to robustify the existing score-based quickest change detection algorithm, the properties of which are studied. This paper calculates the leastfavorable distributions for specific model classes and provides methods of estimating the least-favorable distributions for common constructions. Simulation results are provided demonstrating the performance of our robust change detection algorithm. N the fields of sensor networks, cyber-physical systems, biology, and neuroscience, the statistical properties of online data streams can suddenly change in response to some application-specific event ([1]-[4]).