pwc-archive/papers-with-abstracts huggingface dataset:
Formal limitations of sample-wise information-theoretic generalization bounds
Authors: Hrayr Harutyunyan, Greg Ver Steeg, Aram Galstyan
Date: 2022-05-13 00:00:00
Tasks: Generalization Bounds

Some of the tightest information-theoretic generalization bounds depend on the average information between the learned hypothesis and a single training example. However, these sample-wise bounds were derived only for expected generalization gap. We show that even for expected squared generalization gap no such sample-wise information-theoretic bounds exist. The same is true for PAC-Bayes and single-draw bounds. Remarkably, PAC-Bayes, single-draw and expected squared generalization gap bounds that depend on information in pairs of examples exist.
Homogenization of SGD in high-dimensions: Exact dynamics and generalization properties
Authors: Courtney Paquette, Elliot Paquette, Ben Adlam, Jeffrey Pennington
Date: 2022-05-14 00:00:00
Tasks: Vocal Bursts Intensity Prediction

We develop a stochastic differential equation, called homogenized SGD, for analyzing the dynamics of stochastic gradient descent (SGD) on a high-dimensional random least squares problem with $\ell^2$-regularization. We show that homogenized SGD is the high-dimensional equivalence of SGD -- for any quadratic statistic (e.g., population risk with quadratic loss), the statistic under the iterates of SGD converges to the statistic under homogenized SGD when the number of samples $n$ and number of features $d$ are polynomially related ($d^c < n < d^{1/c}$ for some $c > 0$). By analyzing homogenized SGD, we provide exact non-asymptotic high-dimensional expressions for the generalization performance of SGD in terms of a solution of a Volterra integral equation. Further we provide the exact value of the limiting excess risk in the case of quadratic losses when trained by SGD. The analysis is formulated for data matrices and target vectors that satisfy a family of resolvent conditions, which can roughly be viewed as a weak (non-quantitative) form of delocalization of sample-side singular vectors of the data. Several motivating applications are provided including sample covariance matrices with independent samples and random features with non-generative model targets.
Pattern reconstruction with restricted Boltzmann machines
Authors: Giuseppe Genovese
Date: 2022-05-14 00:00:00
Tasks: Retrieval

Restricted Boltzmann machines are energy models made of a visible and a hidden layer. We identify an effective energy function describing the zero-temperature landscape on the visible units and depending only on the tail behaviour of the hidden layer prior distribution. Studying the location of the local minima of such an energy function, we show that the ability of a restricted Boltzmann machine to reconstruct a random pattern depends indeed only on the tail of the hidden prior distribution. We find that hidden priors with strictly super-Gaussian tails give only a logarithmic loss in pattern retrieval, while an efficient retrieval is much harder with hidden units with strictly sub-Gaussian tails; if the hidden prior has Gaussian tails, the retrieval capability is determined by the number of hidden units (as in the Hopfield model).
Trajectory Inference via Mean-field Langevin in Path Space
Authors: Lénaïc Chizat, Stephen Zhang, Matthieu Heitz, Geoffrey Schiebinger
Date: 2022-05-14 00:00:00

Trajectory inference aims at recovering the dynamics of a population from snapshots of its temporal marginals. To solve this task, a min-entropy estimator relative to the Wiener measure in path space was introduced by Lavenant et al. arXiv:2102.09204, and shown to consistently recover the dynamics of a large class of drift-diffusion processes from the solution of an infinite dimensional convex optimization problem. In this paper, we introduce a grid-free algorithm to compute this estimator. Our method consists in a family of point clouds (one per snapshot) coupled via Schr\"odinger bridges which evolve with noisy gradient descent. We study the mean-field limit of the dynamics and prove its global convergence to the desired estimator. Overall, this leads to an inference method with end-to-end theoretical guarantees that solves an interpretable model for trajectory inference. We also present how to adapt the method to deal with mass variations, a useful extension when dealing with single cell RNA-sequencing data where cells can branch and die.
Sample-Efficient Learning of Correlated Equilibria in Extensive-Form Games
Authors: Ziang Song, Song Mei, Yu Bai
Date: 2022-05-15 00:00:00
Tasks: Form

Imperfect-Information Extensive-Form Games (IIEFGs) is a prevalent model for real-world games involving imperfect information and sequential plays. The Extensive-Form Correlated Equilibrium (EFCE) has been proposed as a natural solution concept for multi-player general-sum IIEFGs. However, existing algorithms for finding an EFCE require full feedback from the game, and it remains open how to efficiently learn the EFCE in the more challenging bandit feedback setting where the game can only be learned by observations from repeated playing. This paper presents the first sample-efficient algorithm for learning the EFCE from bandit feedback. We begin by proposing $K$-EFCE -- a more generalized definition that allows players to observe and deviate from the recommended actions for $K$ times. The $K$-EFCE includes the EFCE as a special case at $K=1$, and is an increasingly stricter notion of equilibrium as $K$ increases. We then design an uncoupled no-regret algorithm that finds an $\varepsilon$-approximate $K$-EFCE within $\widetilde{\mathcal{O}}(\max_{i}X_iA_i^{K}/\varepsilon^2)$ iterations in the full feedback setting, where $X_i$ and $A_i$ are the number of information sets and actions for the $i$-th player. Our algorithm works by minimizing a wide-range regret at each information set that takes into account all possible recommendation histories. Finally, we design a sample-based variant of our algorithm that learns an $\varepsilon$-approximate $K$-EFCE within $\widetilde{\mathcal{O}}(\max_{i}X_iA_i^{K+1}/\varepsilon^2)$ episodes of play in the bandit feedback setting. When specialized to $K=1$, this gives the first sample-efficient algorithm for learning EFCE from bandit feedback.
Generalization Bounds on Multi-Kernel Learning with Mixed Datasets
Authors: Lan V. Truong
Date: 2022-05-15 00:00:00
Tasks: Generalization Bounds

This paper presents novel generalization bounds for the multi-kernel learning problem. Motivated by applications in sensor networks and spatial-temporal models, we assume that the dataset is mixed where each sample is taken from a finite pool of Markov chains. Our bounds for learning kernels admit $O(\sqrt{\log m})$ dependency on the number of base kernels and $O(1/\sqrt{n})$ dependency on the number of training samples. However, some $O(1/\sqrt{n})$ terms are added to compensate for the dependency among samples compared with existing generalization bounds for multi-kernel learning with i.i.d. datasets.
Analyzing Lottery Ticket Hypothesis from PAC-Bayesian Theory Perspective
Authors: Keitaro Sakamoto, Issei Sato
Date: 2022-05-15 00:00:00

The lottery ticket hypothesis (LTH) has attracted attention because it can explain why over-parameterized models often show high generalization ability. It is known that when we use iterative magnitude pruning (IMP), which is an algorithm to find sparse networks with high generalization ability that can be trained from the initial weights independently, called winning tickets, the initial large learning rate does not work well in deep neural networks such as ResNet. However, since the initial large learning rate generally helps the optimizer to converge to flatter minima, we hypothesize that the winning tickets have relatively sharp minima, which is considered a disadvantage in terms of generalization ability. In this paper, we confirm this hypothesis and show that the PAC-Bayesian theory can provide an explicit understanding of the relationship between LTH and generalization behavior. On the basis of our experimental findings that flatness is useful for improving accuracy and robustness to label noise and that the distance from the initial weights is deeply involved in winning tickets, we offer the PAC-Bayes bound using a spike-and-slab distribution to analyze winning tickets. Finally, we revisit existing algorithms for finding winning tickets from a PAC-Bayesian perspective and provide new insights into these methods.
Sobolev Acceleration and Statistical Optimality for Learning Elliptic Equations via Gradient Descent
Authors: Yiping Lu, Jose Blanchet, Lexing Ying
Date: 2022-05-15 00:00:00

In this paper, we study the statistical limits in terms of Sobolev norms of gradient descent for solving inverse problem from randomly sampled noisy observations using a general class of objective functions. Our class of objective functions includes Sobolev training for kernel regression, Deep Ritz Methods (DRM), and Physics Informed Neural Networks (PINN) for solving elliptic partial differential equations (PDEs) as special cases. We consider a potentially infinite-dimensional parameterization of our model using a suitable Reproducing Kernel Hilbert Space and a continuous parameterization of problem hardness through the definition of kernel integral operators. We prove that gradient descent over this objective function can also achieve statistical optimality and the optimal number of passes over the data increases with sample size. Based on our theory, we explain an implicit acceleration of using a Sobolev norm as the objective function for training, inferring that the optimal number of epochs of DRM becomes larger than the number of PINN when both the data size and the hardness of tasks increase, although both DRM and PINN can achieve statistical optimality.
Reductive MDPs: A Perspective Beyond Temporal Horizons
Authors: Thomas Spooner, Rui Silva, Joshua Lockhart, Jason Long, Vacslav Glukhov
Date: 2022-05-15 00:00:00

Solving general Markov decision processes (MDPs) is a computationally hard problem. Solving finite-horizon MDPs, on the other hand, is highly tractable with well known polynomial-time algorithms. What drives this extreme disparity, and do problems exist that lie between these diametrically opposed complexities? In this paper we identify and analyse a sub-class of stochastic shortest path problems (SSPs) for general state-action spaces whose dynamics satisfy a particular drift condition. This construction generalises the traditional, temporal notion of a horizon via decreasing reachability: a property called reductivity. It is shown that optimal policies can be recovered in polynomial-time for reductive SSPs -- via an extension of backwards induction -- with an efficient analogue in reductive MDPs. The practical considerations of the proposed approach are discussed, and numerical verification provided on a canonical optimal liquidation problem.
What is an equivariant neural network?
Authors: Lek-Heng Lim, Bradley J. Nelson
Date: 2022-05-15 00:00:00
Tasks: Protein Structure Prediction

We explain equivariant neural networks, a notion underlying breakthroughs in machine learning from deep convolutional neural networks for computer vision to AlphaFold 2 for protein structure prediction, without assuming knowledge of equivariance or neural networks. The basic mathematical ideas are simple but are often obscured by engineering complications that come with practical realizations. We extract and focus on the mathematical aspects, and limit ourselves to a cursory treatment of the engineering issues at the end.
Incorporating Prior Knowledge into Neural Networks through an Implicit Composite Kernel
Authors: Ziyang Jiang, Tongshu Zheng, Yiling Liu, David Carlson
Date: 2022-05-15 00:00:00
Tasks: Gaussian Processes

It is challenging to guide neural network (NN) learning with prior knowledge. In contrast, many known properties, such as spatial smoothness or seasonality, are straightforward to model by choosing an appropriate kernel in a Gaussian process (GP). Many deep learning applications could be enhanced by modeling such known properties. For example, convolutional neural networks (CNNs) are frequently used in remote sensing, which is subject to strong seasonal effects. We propose to blend the strengths of deep learning and the clear modeling capabilities of GPs by using a composite kernel that combines a kernel implicitly defined by a neural network with a second kernel function chosen to model known properties (e.g., seasonality). We implement this idea by combining a deep network and an efficient mapping based on the Nystrom approximation, which we call Implicit Composite Kernel (ICK). We then adopt a sample-then-optimize approach to approximate the full GP posterior distribution. We demonstrate that ICK has superior performance and flexibility on both synthetic and real-world data sets. We believe that ICK framework can be used to include prior information into neural networks in many applications.
On the Convergence of the Shapley Value in Parametric Bayesian Learning Games
Authors: Lucas Agussurja, Xinyi Xu, Bryan Kian Hsiang Low
Date: 2022-05-16 00:00:00
Tasks: Bayesian Inference

Measuring contributions is a classical problem in cooperative game theory where the Shapley value is the most well-known solution concept. In this paper, we establish the convergence property of the Shapley value in parametric Bayesian learning games where players perform a Bayesian inference using their combined data, and the posterior-prior KL divergence is used as the characteristic function. We show that for any two players, under some regularity conditions, their difference in Shapley value converges in probability to the difference in Shapley value of a limiting game whose characteristic function is proportional to the log-determinant of the joint Fisher information. As an application, we present an online collaborative learning framework that is asymptotically Shapley-fair. Our result enables this to be achieved without any costly computations of posterior-prior KL divergences. Only a consistent estimator of the Fisher information is needed. The effectiveness of our framework is demonstrated with experiments using real-world data.
Gradient Descent Optimizes Infinite-Depth ReLU Implicit Networks with Linear Widths
Authors: Tianxiang Gao, Hongyang Gao
Date: 2022-05-16 00:00:00

Implicit deep learning has recently become popular in the machine learning community since these implicit models can achieve competitive performance with state-of-the-art deep networks while using significantly less memory and computational resources. However, our theoretical understanding of when and how first-order methods such as gradient descent (GD) converge on \textit{nonlinear} implicit networks is limited. Although this type of problem has been studied in standard feed-forward networks, the case of implicit models is still intriguing because implicit networks have \textit{infinitely} many layers. The corresponding equilibrium equation probably admits no or multiple solutions during training. This paper studies the convergence of both gradient flow (GF) and gradient descent for nonlinear ReLU activated implicit networks. To deal with the well-posedness problem, we introduce a fixed scalar to scale the weight matrix of the implicit layer and show that there exists a small enough scaling constant, keeping the equilibrium equation well-posed throughout training. As a result, we prove that both GF and GD converge to a global minimum at a linear rate if the width $m$ of the implicit network is \textit{linear} in the sample size $N$, i.e., $m=\Omega(N)$.
Robust Testing in High-Dimensional Sparse Models
Authors: Anand Jerry George, Clément L. Canonne
Date: 2022-05-16 00:00:00
Tasks: regression, Vocal Bursts Intensity Prediction

We consider the problem of robustly testing the norm of a high-dimensional sparse signal vector under two different observation models. In the first model, we are given $n$ i.i.d. samples from the distribution $\mathcal{N}\left(\theta,I_d\right)$ (with unknown $\theta$), of which a small fraction has been arbitrarily corrupted. Under the promise that $\|\theta\|_0\le s$, we want to correctly distinguish whether $\|\theta\|_2=0$ or $\|\theta\|_2>\gamma$, for some input parameter $\gamma>0$. We show that any algorithm for this task requires $n=\Omega\left(s\log\frac{ed}{s}\right)$ samples, which is tight up to logarithmic factors. We also extend our results to other common notions of sparsity, namely, $\|\theta\|_q\le s$ for any $0 < q < 2$. In the second observation model that we consider, the data is generated according to a sparse linear regression model, where the covariates are i.i.d. Gaussian and the regression coefficient (signal) is known to be $s$-sparse. Here too we assume that an $\epsilon$-fraction of the data is arbitrarily corrupted. We show that any algorithm that reliably tests the norm of the regression coefficient requires at least $n=\Omega\left(\min(s\log d,{1}/{\gamma^4})\right)$ samples. Our results show that the complexity of testing in these two settings significantly increases under robustness constraints. This is in line with the recent observations made in robust mean testing and robust covariance testing.
A model aggregation approach for high-dimensional large-scale optimization
Authors: Haowei Wang, Ercong Zhang, Szu Hui Ng, Giulia Pedrielli
Date: 2022-05-16 00:00:00
Tasks: Bayesian Optimization, Face Detection, Vocal Bursts Intensity Prediction

Bayesian optimization (BO) has been widely used in machine learning and simulation optimization. With the increase in computational resources and storage capacities in these fields, high-dimensional and large-scale problems are becoming increasingly common. In this study, we propose a model aggregation method in the Bayesian optimization (MamBO) algorithm for efficiently solving high-dimensional large-scale optimization problems. MamBO uses a combination of subsampling and subspace embeddings to collectively address high dimensionality and large-scale issues; in addition, a model aggregation method is employed to address the surrogate model uncertainty issue that arises when embedding is applied. This surrogate model uncertainty issue is largely ignored in the embedding literature and practice, and it is exacerbated when the problem is high-dimensional and data are limited. Our proposed model aggregation method reduces these lower-dimensional surrogate model risks and improves the robustness of the BO algorithm. We derive an asymptotic bound for the proposed aggregated surrogate model and prove the convergence of MamBO. Benchmark numerical experiments indicate that our algorithm achieves superior or comparable performance to other commonly used high-dimensional BO algorithms. Moreover, we apply MamBO to a cascade classifier of a machine learning algorithm for face detection, and the results reveal that MamBO finds settings that achieve higher classification accuracy than the benchmark settings and is computationally faster than other high-dimensional BO algorithms.
Wasserstein t-SNE
Authors: Fynn Bachmann, Philipp Hennig, Dmitry Kobak
Date: 2022-05-16 00:00:00

Scientific datasets often have hierarchical structure: for example, in surveys, individual participants (samples) might be grouped at a higher level (units) such as their geographical region. In these settings, the interest is often in exploring the structure on the unit level rather than on the sample level. Units can be compared based on the distance between their means, however this ignores the within-unit distribution of samples. Here we develop an approach for exploratory analysis of hierarchical datasets using the Wasserstein distance metric that takes into account the shapes of within-unit distributions. We use t-SNE to construct 2D embeddings of the units, based on the matrix of pairwise Wasserstein distances between them. The distance matrix can be efficiently computed by approximating each unit with a Gaussian distribution, but we also provide a scalable method to compute exact Wasserstein distances. We use synthetic data to demonstrate the effectiveness of our Wasserstein t-SNE, and apply it to data from the 2017 German parliamentary election, considering polling stations as samples and voting districts as units. The resulting embedding uncovers meaningful structure in the data.
ecpc: An R-package for generic co-data models for high-dimensional prediction
Authors: Mirrelijn M. van Nee, Lodewyk F. A. Wessels, Mark A. van de Wiel
Date: 2022-05-16 00:00:00
Tasks: regression, Variable Selection

High-dimensional prediction considers data with more variables than samples. Generic research goals are to find the best predictor or to select variables. Results may be improved by exploiting prior information in the form of co-data, providing complementary data not on the samples, but on the variables. We consider adaptive ridge penalised generalised linear and Cox models, in which the variable specific ridge penalties are adapted to the co-data to give a priori more weight to more important variables. The R-package ecpc originally accommodated various and possibly multiple co-data sources, including categorical co-data, i.e. groups of variables, and continuous co-data. Continuous co-data, however, was handled by adaptive discretisation, potentially inefficiently modelling and losing information. Here, we present an extension to the method and software for generic co-data models, particularly for continuous co-data. At the basis lies a classical linear regression model, regressing prior variance weights on the co-data. Co-data variables are then estimated with empirical Bayes moment estimation. After placing the estimation procedure in the classical regression framework, extension to generalised additive and shape constrained co-data models is straightforward. Besides, we show how ridge penalties may be transformed to elastic net penalties with the R-package squeezy. In simulation studies we first compare various co-data models for continuous co-data from the extension to the original method. Secondly, we compare variable selection performance to other variable selection methods. Moreover, we demonstrate use of the package in several examples throughout the paper.
Real-time semantic segmentation on FPGAs for autonomous vehicles with hls4ml
Authors: Nicolò Ghielmetti, Vladimir Loncar, Maurizio Pierini, Marcel Roed, Sioni Summers, Thea Aarrestad, Christoffer Petersson, Hampus Linander, Jennifer Ngadiuba, Kelvin Lin, Philip Harris
Date: 2022-05-16 00:00:00
Tasks: Autonomous Driving, Autonomous Vehicles, Quantization, Real-Time Semantic Segmentation, Semantic Segmentation

In this paper, we investigate how field programmable gate arrays can serve as hardware accelerators for real-time semantic segmentation tasks relevant for autonomous driving. Considering compressed versions of the ENet convolutional neural network architecture, we demonstrate a fully-on-chip deployment with a latency of 4.9 ms per image, using less than 30% of the available resources on a Xilinx ZCU102 evaluation board. The latency is reduced to 3 ms per image when increasing the batch size to ten, corresponding to the use case where the autonomous vehicle receives inputs from multiple cameras simultaneously. We show, through aggressive filter reduction and heterogeneous quantization-aware training, and an optimized implementation of convolutional layers, that the power consumption and resource utilization can be significantly reduced while maintaining accuracy on the Cityscapes dataset.