Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of distribution shift that occurs only in the input data, while the concept distribution stays invariant. We propose RIA - Regularization for Invariance with Adversarial training, a new method for OoD generalization under convariate shift. Motivated by an analogy to $Q$-learning, it performs an adversarial exploration for counterfactual data environments. These new environments are induced by adversarial label invariant data augmentations that prevent a collapse to an in-distribution trained learner. It works with many existing OoD generalization methods for covariate shift that can be formulated as constrained optimization problems. We develop an alternating gradient descent-ascent algorithm to solve the problem in the context of causally generated graph data, and perform extensive experiments on OoD graph classification for various kinds of synthetic and natural distribution shifts. We demonstrate that our method can achieve high accuracy compared with OoD baselines.

Abstract--Recovering latent structure from count data has received considerable attention in network inference, particularly when one seeks both cross-group interactions and within-group similarity patterns in bipartite networks, which is widely used in ecology research. Such networks are often sparse and inherently imperfect in their detection. Existing models mainly focus on interaction recovery, while the induced similarity graphs are much less studied. Moreover, sparsity is often not controlled, and scale is unbalanced, leading to oversparse or poorly rescaled estimates with degrading structural recovery. We impose nonconvex ℓ1/2 regularization on the latent similarity and connectivity structures to promote sparsity within-group similarity and cross-group connectivity with better relative scale. To solve it, we develop an ADMM-based algorithm with adaptive penalization and scale-aware initialization and establish its asymptotic feasibility and KKT stationarity of cluster points under mild regularity conditions. Experiments on synthetic and real-world ecological datasets demonstrate improved recovery of latent factors and similarity/connectivity structure relative to existing baselines. Index Terms--augmented Lagrangian, nonconvex nonsmooth optimization, nonnegative matrix factorization, link prediction, ecological network inference, structured sparse recovery I. INTRODUCTION This setting is inherent in sensing and monitoring applications [3], [4], where observations, such as counts, are obtained via an imperfect sampling process. In this paper, we are interested in ecological interaction networks describing how species associate with locations and how environments shape biodiversity patterns [5], [6].

We consider the problem of Robust PCA in the fully and partially observed settings. Without corruptions, this is the well-known matrix completion problem. From a statistical standpoint this problem has been recently well-studied, and conditions on when recovery is possible (how many observations do we need, how many corruptions can we tolerate) via polynomial-time algorithms is by now understood. This paper presents and analyzes a non-convex optimization approach that greatly reduces the computational complexity of the above problems, compared to the best available algorithms. In particular, in the fully observed case, with r denoting rank and d dimension, we reduce the complexity from O(r2d2 log(1/ε)) to O(rd2 log(1/ε)) - a big savings when the rank is big. For the partially observed case, we show the complexity of our algorithm is no more than O(r4dlog dlog(1/ε)). Not only is this the best-known run-time for a provable algorithm under partial observation, but in the setting where r is small compared to d, it also allows for near-linear-in-drun-time that can be exploited in the fully-observed case as well, by simply running our algorithm on a subset of the observations.

In this paper, we develop a novel homotopy smoothing (HOPS) algorithm for solving a family of non-smooth problems that is composed of a non-smooth term with an explicit max-structure and a smooth term or a simple non-smooth term whose proximal mapping is easy to compute. The best known iteration complexity for solving such non-smooth optimization problems is O(1/) without any assumption on the strong convexity. In this work, we will show that the proposed HOPS achieved a lower iteration complexity of O(1/1 θ) 1with θ (0,1] capturing the local sharpness of the objective function around the optimal solutions. To the best of our knowledge, this is the lowest iteration complexity achieved so far for the considered non-smooth optimization problems without strong convexity assumption. The HOPS algorithm employs Nesterov's smoothing technique and Nesterov's accelerated gradient method and runs in stages, which gradually decreases the smoothing parameter in a stage-wise manner until it yields a sufficiently good approximation of the original function. We show that HOPS enjoys a linear convergence for many well-known non-smooth problems (e.g., empirical risk minimization with a piece-wise linear loss function and `1 norm regularizer, finding a point in a polyhedron, cone programming, etc). Experimental results verify the effectiveness of HOPS in comparison with Nesterov's smoothing algorithm and the primal-dual style of first-order methods.

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We introduce the general and powerful scheme of predicting information re-use in optimization algorithms. This allows us to devise a computationally efficient algorithm for bandit convex optimization with new state-of-the-art guarantees for both Lipschitz loss functions and loss functions with Lipschitz gradients.

Neural Information Processing Systems http://nips.cc/

Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for constrained diffusion models on generic nonconvex feasible sets $Σ$ that simultaneously enforces equality and inequality constraints throughout the diffusion process. Our framework incorporates both overdamped and underdamped dynamics for forward and backward sampling. A key algorithmic innovation is a computationally efficient landing mechanism that replaces costly and often ill-defined projections onto $Σ$, ensuring feasibility without iterative Newton solves or projection failures. By leveraging underdamped dynamics, we accelerate mixing toward the prior distribution, effectively alleviating the high simulation costs typically associated with constrained diffusion. Empirically, this approach reduces function evaluations and memory usage during both training and inference while preserving sample quality. On benchmarks featuring equality and mixed constraints, our method achieves comparable sample quality to state-of-the-art baselines while significantly reducing computational cost, providing a practical and scalable solution for diffusion on nonconvex feasible sets.

To obtain more accurate model parameters and improve prediction accuracy, we proposed a regularized Kriging model that penalizes the hyperparameter theta in the Gaussian stochastic process, termed the Theta-regularized Kriging. We derived the optimization problem for this model from a maximum likelihood perspective. Additionally, we presented specific implementation details for the iterative process, including the regularized optimization algorithm and the geometric search cross-validation tuning algorithm. Three distinct penalty methods, Lasso, Ridge, and Elastic-net regularization, were meticulously considered. Meanwhile, the proposed Theta-regularized Kriging models were tested on nine common numerical functions and two practical engineering examples. The results demonstrate that, compared with other penalized Kriging models, the proposed model performs better in terms of accuracy and stability.