Out-of-distribution (OOD) detection is a critical task in machine learning that seeks to identify abnormal samples. Traditionally, unsupervised methods utilize a deep generative model for OOD detection. However, such approaches necessitate a different model when evaluating abnormality against a new distribution. With the emergence of foundational generative models, this paper explores whether a single generalist model can also perform OOD detection across diverse tasks. To that end, we introduce our method, Diffusion Paths, (DiffPath) in this work. DiffPath proposes to utilize a single diffusion model originally trained to perform unconditional generation for OOD detection. Specifically, we introduce a novel technique of measuring the rate-of-change and curvature of the diffusion paths connecting samples to the standard normal. Extensive experiments show that with a single model, DiffPath outperforms prior work on a variety of OOD tasks involving different distributions. Our code is publicly available at //github.com/clear-nus/diffpath.
An effective exact method is proposed for computing generalized eigenspaces of a matrix of integers or rational numbers. Keys of our approach are the use of minimal annihilating polynomials and the concept of the Jourdan-Krylov basis. A new method, called Jordan-Krylov elimination, is introduced to design an algorithm for computing Jordan-Krylov basis. The resulting algorithm outputs generalized eigenspaces as a form of Jordan chains. Notably, in the output, components of generalized eigenvectors are expressed as polynomials in the associated eigenvalue as a variable.
Floorplanning for systems-on-a-chip (SoCs) and its sub-systems is a crucial and non-trivial step of the physical design flow. It represents a difficult combinatorial optimization problem. A typical large scale SoC with 120 partitions generates a search-space of nearly 10E250. As novel machine learning (ML) approaches emerge to tackle such problems, there is a growing need for a modern benchmark that comprises a large training dataset and performance metrics that better reflect real-world constraints and objectives compared to existing benchmarks. To address this need, we present FloorSet -- two comprehensive datasets of synthetic fixed-outline floorplan layouts that reflect the distribution of real SoCs. Each dataset has 1M training samples and 100 test samples where each sample is a synthetic floor-plan. FloorSet-Prime comprises fully-abutted rectilinear partitions and near-optimal wire-length. A simplified dataset that reflects early design phases, FloorSet-Lite comprises rectangular partitions, with under 5 percent white-space and near-optimal wire-length. Both datasets define hard constraints seen in modern design flows such as shape constraints, edge-affinity, grouping constraints, and pre-placement constraints. FloorSet is intended to spur fundamental research on large-scale constrained optimization problems. Crucially, FloorSet alleviates the core issue of reproducibility in modern ML driven solutions to such problems. FloorSet is available as an open-source repository for the research community.
Estimating the density of a distribution from samples is a fundamental problem in statistics. In many practical settings, the Wasserstein distance is an appropriate error metric for density estimation. For example, when estimating population densities in a geographic region, a small Wasserstein distance means that the estimate is able to capture roughly where the population mass is. In this work we study differentially private density estimation in the Wasserstein distance. We design and analyze instance-optimal algorithms for this problem that can adapt to easy instances. For distributions $P$ over $\mathbb{R}$, we consider a strong notion of instance-optimality: an algorithm that uniformly achieves the instance-optimal estimation rate is competitive with an algorithm that is told that the distribution is either $P$ or $Q_P$ for some distribution $Q_P$ whose probability density function (pdf) is within a factor of 2 of the pdf of $P$. For distributions over $\mathbb{R}^2$, we use a different notion of instance optimality. We say that an algorithm is instance-optimal if it is competitive with an algorithm that is given a constant-factor multiplicative approximation of the density of the distribution. We characterize the instance-optimal estimation rates in both these settings and show that they are uniformly achievable (up to polylogarithmic factors). Our approach for $\mathbb{R}^2$ extends to arbitrary metric spaces as it goes via hierarchically separated trees. As a special case our results lead to instance-optimal private learning in TV distance for discrete distributions.
A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs, which are PDEs that depend on a set of parameters but are also temporal and spatial processes. Our contribution is a method hybridizing the Proper Orthogonal Decomposition and several Support Vector Regression machines. This method is conceived to work in real-time, thus aimed for being used in the context of digital twins, where a user can perform an interactive analysis of results based on the proposed surrogate. We present promising results on two use cases concerning electrical machines. These use cases are not toy examples but are produced an industrial computational code, they use meshes representing non-trivial geometries and contain non-linearities.
Randomized subspace approximation with "matrix sketching" is an effective approach for constructing approximate partial singular value decompositions (SVDs) of large matrices. The performance of such techniques has been extensively analyzed, and very precise estimates on the distribution of the residual errors have been derived. However, our understanding of the accuracy of the computed singular vectors (measured in terms of the canonical angles between the spaces spanned by the exact and the computed singular vectors, respectively) remains relatively limited. In this work, we present practical bounds and estimates for canonical angles of randomized subspace approximation that can be computed efficiently either a priori or a posteriori, without assuming prior knowledge of the true singular subspaces. Under moderate oversampling in the randomized SVD, our prior probabilistic bounds are asymptotically tight and can be computed efficiently, while bringing a clear insight into the balance between oversampling and power iterations given a fixed budget on the number of matrix-vector multiplications. The numerical experiments demonstrate the empirical effectiveness of these canonical angle bounds and estimates on different matrices under various algorithmic choices for the randomized SVD.
Mean-field Langevin dynamics (MLFD) is a class of interacting particle methods that tackle convex optimization over probability measures on a manifold, which are scalable, versatile, and enjoy computational guarantees. However, some important problems -- such as risk minimization for infinite width two-layer neural networks, or sparse deconvolution -- are originally defined over the set of signed, rather than probability, measures. In this paper, we investigate how to extend the MFLD framework to convex optimization problems over signed measures. Among two known reductions from signed to probability measures -- the lifting and the bilevel approaches -- we show that the bilevel reduction leads to stronger guarantees and faster rates (at the price of a higher per-iteration complexity). In particular, we investigate the convergence rate of MFLD applied to the bilevel reduction in the low-noise regime and obtain two results. First, this dynamics is amenable to an annealing schedule, adapted from Suzuki et al. (2023), that results in improved convergence rates to a fixed multiplicative accuracy. Second, we investigate the problem of learning a single neuron with the bilevel approach and obtain local exponential convergence rates that depend polynomially on the dimension and noise level (to compare with the exponential dependence that would result from prior analyses).
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
Out-of-distribution (OOD) detection is critical to ensuring the reliability and safety of machine learning systems. For instance, in autonomous driving, we would like the driving system to issue an alert and hand over the control to humans when it detects unusual scenes or objects that it has never seen before and cannot make a safe decision. This problem first emerged in 2017 and since then has received increasing attention from the research community, leading to a plethora of methods developed, ranging from classification-based to density-based to distance-based ones. Meanwhile, several other problems are closely related to OOD detection in terms of motivation and methodology. These include anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). Despite having different definitions and problem settings, these problems often confuse readers and practitioners, and as a result, some existing studies misuse terms. In this survey, we first present a generic framework called generalized OOD detection, which encompasses the five aforementioned problems, i.e., AD, ND, OSR, OOD detection, and OD. Under our framework, these five problems can be seen as special cases or sub-tasks, and are easier to distinguish. Then, we conduct a thorough review of each of the five areas by summarizing their recent technical developments. We conclude this survey with open challenges and potential research directions.
Generalization to out-of-distribution (OOD) data is a capability natural to humans yet challenging for machines to reproduce. This is because most learning algorithms strongly rely on the i.i.d.~assumption on source/target data, which is often violated in practice due to domain shift. Domain generalization (DG) aims to achieve OOD generalization by using only source data for model learning. Since first introduced in 2011, research in DG has made great progresses. In particular, intensive research in this topic has led to a broad spectrum of methodologies, e.g., those based on domain alignment, meta-learning, data augmentation, or ensemble learning, just to name a few; and has covered various vision applications such as object recognition, segmentation, action recognition, and person re-identification. In this paper, for the first time a comprehensive literature review is provided to summarize the developments in DG for computer vision over the past decade. Specifically, we first cover the background by formally defining DG and relating it to other research fields like domain adaptation and transfer learning. Second, we conduct a thorough review into existing methods and present a categorization based on their methodologies and motivations. Finally, we conclude this survey with insights and discussions on future research directions.
It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.