For many computational problems involving randomness, intricate geometric features of the solution space have been used to rigorously rule out powerful classes of algorithms. This is often accomplished through the lens of the multi Overlap Gap Property ($m$-OGP), a rigorous barrier against algorithms exhibiting input stability. In this paper, we focus on the algorithmic tractability of two models: (i) discrepancy minimization, and (ii) the symmetric binary perceptron (\texttt{SBP}), a random constraint satisfaction problem as well as a toy model of a single-layer neural network. Our first focus is on the limits of online algorithms. By establishing and leveraging a novel geometrical barrier, we obtain sharp hardness guarantees against online algorithms for both the \texttt{SBP} and discrepancy minimization. Our results match the best known algorithmic guarantees, up to constant factors. Our second focus is on efficiently finding a constant discrepancy solution, given a random matrix $\mathcal{M}\in\mathbb{R}^{M\times n}$. In a smooth setting, where the entries of $\mathcal{M}$ are i.i.d. standard normal, we establish the presence of $m$-OGP for $n=\Theta(M\log M)$. Consequently, we rule out the class of stable algorithms at this value. These results give the first rigorous evidence towards a conjecture of Altschuler and Niles-Weed~\cite[Conjecture~1]{altschuler2021discrepancy}. Our methods use the intricate geometry of the solution space to prove tight hardness results for online algorithms. The barrier we establish is a novel variant of the $m$-OGP. Furthermore, it regards $m$-tuples of solutions with respect to correlated instances, with growing values of $m$, $m=\omega(1)$. Importantly, our results rule out online algorithms succeeding even with an exponentially small probability.
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Additive Noise Models (ANM) encode a popular functional assumption that enables learning causal structure from observational data. Due to a lack of real-world data meeting the assumptions, synthetic ANM data are often used to evaluate causal discovery algorithms. Reisach et al. (2021) show that, for common simulation parameters, a variable ordering by increasing variance is closely aligned with a causal order and introduce var-sortability to quantify the alignment. Here, we show that not only variance, but also the fraction of a variable's variance explained by all others, as captured by the coefficient of determination $R^2$, tends to increase along the causal order. Simple baseline algorithms can use $R^2$-sortability to match the performance of established methods. Since $R^2$-sortability is invariant under data rescaling, these algorithms perform equally well on standardized or rescaled data, addressing a key limitation of algorithms exploiting var-sortability. We characterize and empirically assess $R^2$-sortability for different simulation parameters. We show that all simulation parameters can affect $R^2$-sortability and must be chosen deliberately to control the difficulty of the causal discovery task and the real-world plausibility of the simulated data. We provide an implementation of the sortability measures and sortability-based algorithms in our library CausalDisco (//github.com/CausalDisco/CausalDisco).
We present a unified framework for deriving PAC-Bayesian generalization bounds. Unlike most previous literature on this topic, our bounds are anytime-valid (i.e., time-uniform), meaning that they hold at all stopping times, not only for a fixed sample size. Our approach combines four tools in the following order: (a) nonnegative supermartingales or reverse submartingales, (b) the method of mixtures, (c) the Donsker-Varadhan formula (or other convex duality principles), and (d) Ville's inequality. Our main result is a PAC-Bayes theorem which holds for a wide class of discrete stochastic processes. We show how this result implies time-uniform versions of well-known classical PAC-Bayes bounds, such as those of Seeger, McAllester, Maurer, and Catoni, in addition to many recent bounds. We also present several novel bounds. Our framework also enables us to relax traditional assumptions; in particular, we consider nonstationary loss functions and non-i.i.d. data. In sum, we unify the derivation of past bounds and ease the search for future bounds: one may simply check if our supermartingale or submartingale conditions are met and, if so, be guaranteed a (time-uniform) PAC-Bayes bound.
A block Markov chain is a Markov chain whose state space can be partitioned into a finite number of clusters such that the transition probabilities only depend on the clusters. Block Markov chains thus serve as a model for Markov chains with communities. This paper establishes limiting laws for the singular value distributions of the empirical transition matrix and empirical frequency matrix associated to a sample path of the block Markov chain whenever the length of the sample path is $\Theta(n^2)$ with $n$ the size of the state space. The proof approach is split into two parts. First, we introduce a class of symmetric random matrices with dependent entries called approximately uncorrelated random matrices with variance profile. We establish their limiting eigenvalue distributions by means of the moment method. Second, we develop a coupling argument to show that this general-purpose result applies to the singular value distributions associated with the block Markov chain.
Data-driven offline model-based optimization (MBO) is an established practical approach to black-box computational design problems for which the true objective function is unknown and expensive to query. However, the standard approach which optimizes designs against a learned proxy model of the ground truth objective can suffer from distributional shift. Specifically, in high-dimensional design spaces where valid designs lie on a narrow manifold, the standard approach is susceptible to producing out-of-distribution, invalid designs that "fool" the learned proxy model into outputting a high value. Using an ensemble rather than a single model as the learned proxy can help mitigate distribution shift, but naive formulations for combining gradient information from the ensemble, such as minimum or mean gradient, are still suboptimal and often hampered by non-convergent behavior. In this work, we explore alternate approaches for combining gradient information from the ensemble that are robust to distribution shift without compromising optimality of the produced designs. More specifically, we explore two functions, formulated as convex optimization problems, for combining gradient information: multiple gradient descent algorithm (MGDA) and conflict-averse gradient descent (CAGrad). We evaluate these algorithms on a diverse set of five computational design tasks. We compare performance of ensemble MBO with MGDA and ensemble MBO with CAGrad with three naive baseline algorithms: (a) standard single-model MBO, (b) ensemble MBO with mean gradient, and (c) ensemble MBO with minimum gradient. Our results suggest that MGDA and CAGrad strike a desirable balance between conservatism and optimality and can help robustify data-driven offline MBO without compromising optimality of designs.
Submodular maximization is one of the central topics in combinatorial optimization. It has found numerous applications in the real world. In the past decades, a series of algorithms have been proposed for this problem. However, most of the state-of-the-art algorithms are randomized. There remain non-negligible gaps with respect to approximation ratios between deterministic and randomized algorithms in submodular maximization. In this paper, we propose deterministic algorithms with improved approximation ratios for non-monotone submodular maximization. Specifically, for the matroid constraint, we provide a deterministic $0.283-o(1)$ approximation algorithm, while the previous best deterministic algorithm only achieves a $1/4$ approximation ratio. For the knapsack constraint, we provide a deterministic $1/4$ approximation algorithm, while the previous best deterministic algorithm only achieves a $1/6$ approximation ratio. For the linear packing constraints with large widths, we provide a deterministic $1/6-\epsilon$ approximation algorithm. To the best of our knowledge, there is currently no deterministic approximation algorithm for the constraints.
Graph algorithms are widely used for decision making and knowledge discovery. To ensure their effectiveness, it is essential that their output remains stable even when subjected to small perturbations to the input because frequent output changes can result in costly decisions, reduced user trust, potential security concerns, and lack of replicability. In this study, we consider the Lipschitz continuity of algorithms as a stability measure and initiate a systematic study of the Lipschitz continuity of algorithms for (weighted) graph problems. Depending on how we embed the output solution to a metric space, we can think of several Lipschitzness notions. We mainly consider the one that is invariant under scaling of weights, and we provide Lipschitz continuous algorithms and lower bounds for the minimum spanning tree problem, the shortest path problem, and the maximum weight matching problem. In particular, our shortest path algorithm is obtained by first designing an algorithm for unweighted graphs that are robust against edge contractions and then applying it to the unweighted graph constructed from the original weighted graph. Then, we consider another Lipschitzness notion induced by a natural mapping that maps the output solution to its characteristic vector. It turns out that no Lipschitz continuous algorithm exists for this Lipschitz notion, and we instead design algorithms with bounded pointwise Lipschitz constants for the minimum spanning tree problem and the maximum weight bipartite matching problem. Our algorithm for the latter problem is based on an LP relaxation with entropy regularization.
Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.
Transformers have achieved superior performances in many tasks in natural language processing and computer vision, which also intrigues great interests in the time series community. Among multiple advantages of transformers, the ability to capture long-range dependencies and interactions is especially attractive for time series modeling, leading to exciting progress in various time series applications. In this paper, we systematically review transformer schemes for time series modeling by highlighting their strengths as well as limitations through a new taxonomy to summarize existing time series transformers in two perspectives. From the perspective of network modifications, we summarize the adaptations of module level and architecture level of the time series transformers. From the perspective of applications, we categorize time series transformers based on common tasks including forecasting, anomaly detection, and classification. Empirically, we perform robust analysis, model size analysis, and seasonal-trend decomposition analysis to study how Transformers perform in time series. Finally, we discuss and suggest future directions to provide useful research guidance. To the best of our knowledge, this paper is the first work to comprehensively and systematically summarize the recent advances of Transformers for modeling time series data. We hope this survey will ignite further research interests in time series Transformers.
We present self-supervised geometric perception (SGP), the first general framework to learn a feature descriptor for correspondence matching without any ground-truth geometric model labels (e.g., camera poses, rigid transformations). Our first contribution is to formulate geometric perception as an optimization problem that jointly optimizes the feature descriptor and the geometric models given a large corpus of visual measurements (e.g., images, point clouds). Under this optimization formulation, we show that two important streams of research in vision, namely robust model fitting and deep feature learning, correspond to optimizing one block of the unknown variables while fixing the other block. This analysis naturally leads to our second contribution -- the SGP algorithm that performs alternating minimization to solve the joint optimization. SGP iteratively executes two meta-algorithms: a teacher that performs robust model fitting given learned features to generate geometric pseudo-labels, and a student that performs deep feature learning under noisy supervision of the pseudo-labels. As a third contribution, we apply SGP to two perception problems on large-scale real datasets, namely relative camera pose estimation on MegaDepth and point cloud registration on 3DMatch. We demonstrate that SGP achieves state-of-the-art performance that is on-par or superior to the supervised oracles trained using ground-truth labels.
Image segmentation is an important component of many image understanding systems. It aims to group pixels in a spatially and perceptually coherent manner. Typically, these algorithms have a collection of parameters that control the degree of over-segmentation produced. It still remains a challenge to properly select such parameters for human-like perceptual grouping. In this work, we exploit the diversity of segments produced by different choices of parameters. We scan the segmentation parameter space and generate a collection of image segmentation hypotheses (from highly over-segmented to under-segmented). These are fed into a cost minimization framework that produces the final segmentation by selecting segments that: (1) better describe the natural contours of the image, and (2) are more stable and persistent among all the segmentation hypotheses. We compare our algorithm's performance with state-of-the-art algorithms, showing that we can achieve improved results. We also show that our framework is robust to the choice of segmentation kernel that produces the initial set of hypotheses.
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