Mathematical & Statistical Methods
Non-linear Embeddings in Hilbert Simplex Geometry
A key technique of machine learning and computer vision is to embed discrete weighted graphs into continuous spaces for further downstream processing. Embedding discrete hierarchical structures in hyperbolic geometry has proven very successful since it was shown that any weighted tree can be embedded in that geometry with arbitrary low distortion. Various optimization methods for hyperbolic embeddings based on common models of hyperbolic geometry have been studied. In this paper, we consider Hilbert geometry for the standard simplex which is isometric to a vector space equipped with the variation polytope norm. We study the representation power of this Hilbert simplex geometry by embedding distance matrices of graphs. Our findings demonstrate that Hilbert simplex geometry is competitive to alternative geometries such as the Poincar\'e hyperbolic ball or the Euclidean geometry for embedding tasks while being fast and numerically robust.
Conditional Generative Models for Learning Stochastic Processes
Certo, Salvatore, Pham, Anh, Robles, Nicolas, Vlasic, Andrew
A framework to learn a multi-modal distribution is proposed, denoted as the Conditional Quantum Generative Adversarial Network (C-qGAN). The neural network structure is strictly within a quantum circuit and, as a consequence, is shown to represent a more efficient state preparation procedure than current methods. This methodology has the potential to speed-up algorithms, such as Monte Carlo analysis. In particular, after demonstrating the effectiveness of the network in the learning task, the technique is applied to price Asian option derivatives, providing the foundation for further research on other path-dependent options.
Gradient Coding through Iterative Block Leverage Score Sampling
Charalambides, Neophytos, Pilanci, Mert, Hero, Alfred
We generalize the leverage score sampling sketch for $\ell_2$-subspace embeddings, to accommodate sampling subsets of the transformed data, so that the sketching approach is appropriate for distributed settings. This is then used to derive an approximate coded computing approach for first-order methods; known as gradient coding, to accelerate linear regression in the presence of failures in distributed computational networks, \textit{i.e.} stragglers. We replicate the data across the distributed network, to attain the approximation guarantees through the induced sampling distribution. The significance and main contribution of this work, is that it unifies randomized numerical linear algebra with approximate coded computing, while attaining an induced $\ell_2$-subspace embedding through uniform sampling. The transition to uniform sampling is done without applying a random projection, as in the case of the subsampled randomized Hadamard transform. Furthermore, by incorporating this technique to coded computing, our scheme is an iterative sketching approach to approximately solving linear regression. We also propose weighting when sketching takes place through sampling with replacement, for further compression.
Learning minimal representations of stochastic processes with variational autoencoders
Fernรกndez-Fernรกndez, Gabriel, Manzo, Carlo, Lewenstein, Maciej, Dauphin, Alexandre, Muรฑoz-Gil, Gorka
Stochastic processes have found numerous applications in science, as they are broadly used to model a variety of natural phenomena. Due to their intrinsic randomness and uncertainty, they are however difficult to characterize. Here, we introduce an unsupervised machine learning approach to determine the minimal set of parameters required to effectively describe the dynamics of a stochastic process. Our method builds upon an extended $\beta$-variational autoencoder architecture. By means of simulated datasets corresponding to paradigmatic diffusion models, we showcase its effectiveness in extracting the minimal relevant parameters that accurately describe these dynamics. Furthermore, the method enables the generation of new trajectories that faithfully replicate the expected stochastic behavior. Overall, our approach enables for the autonomous discovery of unknown parameters describing stochastic processes, hence enhancing our comprehension of complex phenomena across various fields.
Exact identification of nonlinear dynamical systems by Trimmed Lasso
Kiser, Shawn L., Guskov, Mikhail, Rรฉbillat, Marc, Ranc, Nicolas
Identification of nonlinear dynamical systems has been popularized by sparse identification of the nonlinear dynamics (SINDy) via the sequentially thresholded least squares (STLS) algorithm. Many extensions SINDy have emerged in the literature to deal with experimental data which are finite in length and noisy. Recently, the computationally intensive method of ensembling bootstrapped SINDy models (E-SINDy) was proposed for model identification, handling finite, highly noisy data. While the extensions of SINDy are numerous, their sparsity-promoting estimators occasionally provide sparse approximations of the dynamics as opposed to exact recovery. Furthermore, these estimators suffer under multicollinearity, e.g. the irrepresentable condition for the Lasso. In this paper, we demonstrate that the Trimmed Lasso for robust identification of models (TRIM) can provide exact recovery under more severe noise, finite data, and multicollinearity as opposed to E-SINDy. Additionally, the computational cost of TRIM is asymptotically equal to STLS since the sparsity parameter of the TRIM can be solved efficiently by convex solvers. We compare these methodologies on challenging nonlinear systems, specifically the Lorenz 63 system, the Bouc Wen oscillator from the nonlinear dynamics benchmark of No\"el and Schoukens, 2016, and a time delay system describing tool cutting dynamics. This study emphasizes the comparisons between STLS, reweighted $\ell_1$ minimization, and Trimmed Lasso in identification with respect to problems faced by practitioners: the problem of finite and noisy data, the performance of the sparse regression of when the library grows in dimension (multicollinearity), and automatic methods for choice of regularization parameters.
An efficient, provably exact, practical algorithm for the 0-1 loss linear classification problem
He, Xi, Rahman, Waheed Ul, Little, Max A.
There has been an increasing trend to leverage machine learning (ML) for high-stakes prediction applications that deeply impact human lives. Many of these ML models are "black boxes" with highly complex, inscrutable functional forms. In high-stakes applications such as healthcare and criminal justice, black box ML predictions have incorrectly denied parole [Wexler, 2017], misclassified highly polluted air as safe to breathe [McGough, 2018], and suggested poor allocation of valuable, limited resources in medicine and energy reliability [Varshney and Alemzadeh, 2017]. In such high-stakes applications of ML, we always want the best possible prediction, and we want to know how the model makes these predictions so that we can be confident the predictions are meaningful [Rudin, 2022]. In short, the ideal model is simple enough to be easily understood (interpretable), and optimally accurate (exact). Hence, in high-stakes applications of ML, we always want the best possible prediction, and we want to know how the model makes these predictions so that we can be confident the predictions are meaningful. In short, the ideal model is simple enough to understand and optimally accurate, then our interpretations of the results can be faithful to what our model actually computes. Another compelling reason why simple models are preferable is because such low complexity models usually provide better statistical generality, in the sense that a classifier fit to some training dataset, will work well on another dataset drawn from the same distribution to which we do not have access (works well out-of-sample). The VC dimension is a key measure of the complexity of a classification model.
Optimal Sensor Deception to Deviate from an Allowed Itinerary
Rahmani, Hazhar, Ahadi, Arash, Fu, Jie
In this work, we study a class of deception planning problems in which an agent aims to alter a security monitoring system's sensor readings so as to disguise its adversarial itinerary as an allowed itinerary in the environment. The adversarial itinerary set and allowed itinerary set are captured by regular languages. To deviate without being detected, we investigate whether there exists a strategy for the agent to alter the sensor readings, with a minimal cost, such that for any of those paths it takes, the system thinks the agent took a path within the allowed itinerary. Our formulation assumes an offline sensor alteration where the agent determines the sensor alteration strategy and implement it, and then carry out any path in its deviation itinerary. We prove that the problem of solving the optimal sensor alteration is NP-hard, by a reduction from the directed multi-cut problem. Further, we present an exact algorithm based on integer linear programming and demonstrate the correctness and the efficacy of the algorithm in case studies.
AgraSSt: Approximate Graph Stein Statistics for Interpretable Assessment of Implicit Graph Generators
We propose and analyse a novel statistical procedure, coined AgraSSt, to assess the quality of graph generators that may not be available in explicit form. In particular, AgraSSt can be used to determine whether a learnt graph generating process is capable of generating graphs that resemble a given input graph. Inspired by Stein operators for random graphs, the key idea of AgraSSt is the construction of a kernel discrepancy based on an operator obtained from the graph generator. AgraSSt can provide interpretable criticisms for a graph generator training procedure and help identify reliable sample batches for downstream tasks. Using Stein`s method we give theoretical guarantees for a broad class of random graph models. We provide empirical results on both synthetic input graphs with known graph generation procedures, and real-world input graphs that the state-of-the-art (deep) generative models for graphs are trained on.
Efficient Alternating Minimization with Applications to Weighted Low Rank Approximation
Song, Zhao, Ye, Mingquan, Yin, Junze, Zhang, Lichen
Weighted low rank approximation is a fundamental problem in numerical linear algebra, and it has many applications in machine learning. Given a matrix $M \in \mathbb{R}^{n \times n}$, a weight matrix $W \in \mathbb{R}_{\geq 0}^{n \times n}$, a parameter $k$, the goal is to output two matrices $U, V \in \mathbb{R}^{n \times k}$ such that $\| W \circ (M - U V^\top) \|_F$ is minimized, where $\circ$ denotes the Hadamard product. Such a problem is known to be NP-hard and even hard to approximate assuming Exponential Time Hypothesis [GG11, RSW16]. Meanwhile, alternating minimization is a good heuristic solution for approximating weighted low rank approximation. The work [LLR16] shows that, under mild assumptions, alternating minimization does provide provable guarantees. In this work, we develop an efficient and robust framework for alternating minimization. For weighted low rank approximation, this improves the runtime of [LLR16] from $n^2 k^2$ to $n^2k$. At the heart of our work framework is a high-accuracy multiple response regression solver together with a robust analysis of alternating minimization.
Online Learning Guided Curvature Approximation: A Quasi-Newton Method with Global Non-Asymptotic Superlinear Convergence
Jiang, Ruichen, Jin, Qiujiang, Mokhtari, Aryan
Quasi-Newton algorithms are among the most popular iterative methods for solving unconstrained minimization problems, largely due to their favorable superlinear convergence property. However, existing results for these algorithms are limited as they provide either (i) a global convergence guarantee with an asymptotic superlinear convergence rate, or (ii) a local non-asymptotic superlinear rate for the case that the initial point and the initial Hessian approximation are chosen properly. In particular, no current analysis for quasi-Newton methods guarantees global convergence with an explicit superlinear convergence rate. In this paper, we close this gap and present the first globally convergent quasi-Newton method with an explicit non-asymptotic superlinear convergence rate. Unlike classical quasi-Newton methods, we build our algorithm upon the hybrid proximal extragradient method and propose a novel online learning framework for updating the Hessian approximation matrices. Specifically, guided by the convergence analysis, we formulate the Hessian approximation update as an online convex optimization problem in the space of matrices, and we relate the bounded regret of the online problem to the superlinear convergence of our method.