nils-herrmann/clean_scirepeval huggingface dataset:
Dynamic Sasvi: Strong Safe Screening for Norm-Regularized Least Squares
Authors: Hiroaki Yamada, Makoto Yamada

A recently introduced technique, called ``safe screening,'' for a sparse optimization problem allows us to identify irrelevant variables in the early stages of optimization. In this paper, we first propose a flexible framework for safe screening based on the Fenchel--Rockafellar duality and then derive a strong safe screening rule for norm-regularized least squares using the proposed framework. We refer to the proposed screening rule for norm-regularized least squares as ``dynamic Sasvi'' because it can be interpreted as a generalization of Sasvi. Unlike the original Sasvi, it does not require the exact solution of a more strongly regularized problem; hence, it works safely in practice. We show that our screening rule always eliminates more features compared with the existing state-of-the-art methods.
Compositional Reinforcement Learning from Logical Specifications
Authors: Kishor Jothimurugan, Suguman Bansal, Osbert Bastani, Rajeev Alur

We study the problem of learning control policies for complex tasks given by logical specifications. Recent approaches automatically generate a reward function from a given specification and use a suitable reinforcement learning algorithm to learn a policy that maximizes the expected reward. These approaches, however, scale poorly to complex tasks that require high-level planning. In this work, we develop a compositional learning approach, called DIRL, that interleaves high-level planning and reinforcement learning. First, DIRL encodes the specification as an abstract graph; intuitively, vertices and edges of the graph correspond to regions of the state space and simpler sub-tasks, respectively. Our approach then incorporates reinforcement learning to learn neural network policies for each edge (sub-task) within a Dijkstra-style planning algorithm to compute a high-level plan in the graph. An evaluation of the proposed approach on a set of challenging control benchmarks with continuous state and action spaces demonstrates that it outperforms state-of-the-art baselines.
Continuous-time edge modelling using non-parametric point processes
Authors: Xuhui Fan, Bin Li, Feng Zhou, Scott A Sisson

The mutually-exciting Hawkes process (ME-HP) is a natural choice to model reciprocity, which is an important attribute of continuous-time edge (dyadic) data. However, existing ways of implementing the ME-HP for such data are either inflexible, as the exogenous (background) rate functions are typically constant and the endogenous (excitation) rate functions are specified parametrically, or inefficient, as inference usually relies on Markov chain Monte Carlo methods with high computational costs. To address these limitations, we discuss various approaches to model design, and develop three variants of non-parametric point processes for continuous-time edge modelling (CTEM). The resulting models are highly adaptable as they generate intensity functions through sigmoidal Gaussian processes, and so provide greater modelling flexibility than parametric forms. The models are implemented via a fast variational inference method enabled by a novel edge modelling construction. The superior performance of the proposed CTEM models is demonstrated through extensive experimental evaluations on four real-world continuous-time edge data sets.
Continuous Doubly Constrained Batch Reinforcement Learning
Authors: Rasool Fakoor, Jonas Mueller, Kavosh Asadi, Pratik Chaudhari, Alex Smola

Reliant on too many experiments to learn good actions, current Reinforcement Learning (RL) algorithms have limited applicability in real-world settings, which can be too expensive to allow exploration. We propose an algorithm for batch RL, where effective policies are learned using only a fixed offline dataset instead of online interactions with the environment. The limited data in batch RL produces inherent uncertainty in value estimates of states/actions that were insufficiently represented in the training data. This leads to particularly severe extrapolation when our candidate policies diverge from one that generated the data. We propose to mitigate this issue via two straightforward penalties: a policy-constraint to reduce this divergence and a value-constraint that discourages overly optimistic estimates. Over a comprehensive set of $32$ continuous-action batch RL benchmarks, our approach compares favorably to state-of-the-art methods, regardless of how the offline data were collected.
Conformal Bayesian Computation
Authors: Edwin Fong, Christopher C. Holmes

We develop scalable methods for producing conformal Bayesian predictive intervals with finite sample calibration guarantees. Bayesian posterior predictive distributions, $p(y \mid x)$,  characterize subjective beliefs on outcomes of interest, $y$, conditional on predictors, $x$. Bayesian prediction is well-calibrated when the model is true, but the predictive intervals may exhibit poor empirical coverage when the  model is misspecified, under the so called ${\cal{M}}$-open perspective. In contrast, conformal inference provides finite sample frequentist guarantees on predictive confidence intervals without the requirement of model fidelity. Using 'add-one-in' importance sampling, we show that conformal Bayesian predictive intervals are efficiently obtained from re-weighted posterior samples of model parameters. Our approach contrasts with existing conformal methods that require expensive refitting of models or data-splitting to achieve computational efficiency. We demonstrate the utility on a range of examples including extensions to partially exchangeable settings such as hierarchical models.
Adversarial Robustness with Non-uniform Perturbations
Authors: Ecenaz Erdemir, Jeffrey Bickford, Luca Melis, Sergul Aydore

Robustness of machine learning models is critical for security related applications, where real-world adversaries are uniquely focused on evading neural network based detectors. Prior work mainly focus on crafting adversarial examples (AEs) with small uniform norm-bounded perturbations across features to maintain the requirement of imperceptibility. However, uniform perturbations do not result in realistic AEs in domains such as malware, finance, and social networks. For these types of applications, features typically have some semantically meaningful dependencies. The key idea of our proposed approach is to enable non-uniform perturbations that can adequately represent these feature dependencies during adversarial training. We propose using characteristics of the empirical data distribution, both on correlations between the features and the importance of the features themselves. Using experimental datasets for malware classification, credit risk prediction, and spam detection, we show that our approach is more robust to real-world attacks. Finally, we present robustness certification utilizing non-uniform perturbation bounds, and show that non-uniform bounds achieve better certification.
An Exact Characterization of the Generalization Error for the Gibbs Algorithm
Authors: Gholamali Aminian, Yuheng Bu, Laura Toni, Miguel R. D. Rodrigues, Gregory Wornell

Various approaches have been developed to upper bound the generalization error of a supervised learning algorithm. However, existing bounds are often loose and lack of guarantees. As a result, they may fail to characterize the exact generalization ability of a learning algorithm.
Our main contribution is an exact characterization of the expected generalization error of the well-known Gibbs algorithm (a.k.a. Gibbs posterior) using symmetrized KL information between the input training samples and the output hypothesis. Our result can be applied to tighten existing expected generalization error and PAC-Bayesian bounds. Our approach is versatile, as it also characterizes the generalization error of the Gibbs algorithm with data-dependent regularizer and that of the Gibbs algorithm in the asymptotic regime, where it converges to the empirical risk minimization algorithm. Of particular relevance, our results highlight the role the symmetrized KL information plays in controlling the generalization error of the Gibbs algorithm.
Proxy Convexity: A Unified Framework for the Analysis of Neural Networks Trained by Gradient Descent
Authors: Spencer Frei, Quanquan Gu

Although the optimization objectives for learning neural networks are highly non-convex, gradient-based methods have been wildly successful at learning neural networks in practice. This juxtaposition has led to a number of recent studies on provable guarantees for neural networks trained by gradient descent. Unfortunately, the techniques in these works are often highly specific to the particular setup in each problem, making it difficult to generalize across different settings. To address this drawback in the literature, we propose a unified non-convex optimization framework for the analysis of neural network training. We introduce the notions of proxy convexity and proxy Polyak-Lojasiewicz (PL) inequalities, which are satisfied if the original objective function induces a proxy objective function that is implicitly minimized when using gradient methods. We show that stochastic gradient descent (SGD) on objectives satisfying proxy convexity or the proxy PL inequality leads to efficient guarantees for proxy objective functions. We further show that many existing guarantees for neural networks trained by gradient descent can be unified through proxy convexity and proxy PL inequalities.
Disentangling the Roles of Curation, Data-Augmentation and the Prior in the Cold Posterior Effect
Authors: Lorenzo Noci, Kevin Roth, Gregor Bachmann, Sebastian Nowozin, Thomas Hofmann

The “cold posterior effect” (CPE) in Bayesian deep learning describes the disturbing observation that the predictive performance of Bayesian neural networks can be significantly improved if the Bayes posterior is artificially sharpened using a temperature parameter T <1.  The CPE is problematic in theory and practice and since the effect was identified many researchers have proposed hypotheses to explain the phenomenon. However, despite this intensive research effort the effect remains poorly understood. In this work we provide novel and nuanced evidence relevant to existing explanations for the cold posterior effect, disentangling three hypotheses: 1. The dataset curation hypothesis of Aitchison (2020): we show empirically that the CPE does not arise in a real curated data set but can be produced in a controlled experiment with varying curation strength. 2. The data augmentation hypothesis of Izmailov et al. (2021) and Fortuin et al. (2021): we show empirically that data augmentation is sufficient but not necessary for the CPE to be present. 3. The bad prior hypothesis of Wenzel et al. (2020): we use a simple experiment evaluating the relative importance of the prior and the likelihood, strongly linking the CPE to the prior. Our results demonstrate how the CPE can arise in isolation from synthetic curation, data augmentation, and bad priors. Cold posteriors observed “in the wild” are therefore unlikely to arise from a single simple cause; as a result, we do not expect a simple “fix” for cold posteriors.
Damped Anderson Mixing for Deep Reinforcement Learning: Acceleration, Convergence, and Stabilization
Authors: Ke Sun, Yafei Wang, Yi Liu, Yingnan Zhao, Bo Pan, SHANGLING JUI, Bei Jiang, Linglong Kong

Anderson mixing has been heuristically applied to reinforcement learning (RL) algorithms for accelerating convergence and improving the sampling efficiency of deep RL. Despite its heuristic improvement of convergence, a rigorous mathematical justification for the benefits of Anderson mixing in RL has not yet been put forward. In this paper, we provide deeper insights into a class of acceleration schemes built on Anderson mixing that improve the convergence of deep RL algorithms. Our main results establish a connection between Anderson mixing and quasi-Newton methods and prove that Anderson mixing increases the convergence radius of policy iteration schemes by an extra contraction factor. The key focus of the analysis roots in the fixed-point iteration nature of RL. We further propose a stabilization strategy by introducing a stable regularization term in Anderson mixing and a differentiable, non-expansive MellowMax operator that can allow both faster convergence and more stable behavior. Extensive experiments demonstrate that our proposed method enhances the convergence, stability, and performance of RL algorithms.
Faster Non-asymptotic Convergence for Double Q-learning
Authors: Lin Zhao, Huaqing Xiong, Yingbin Liang

Double Q-learning (Hasselt, 2010) has gained significant success in practice due to its effectiveness in overcoming the overestimation issue of Q-learning. However, the theoretical understanding of double Q-learning is rather limited. The only existing finite-time analysis was recently established in (Xiong et al. 2020), where the polynomial learning rate adopted in the analysis typically yields a slower convergence rate. This paper tackles the more challenging case of a constant learning rate, and develops new analytical tools that improve the existing convergence rate by orders of magnitude. Specifically, we show that synchronous double Q-learning attains an $\epsilon$-accurate global optimum with a time complexity of $\tilde{\Omega}\left(\frac{\ln D}{(1-\gamma)^7\epsilon^2} \right)$, and the asynchronous algorithm achieves a time complexity of $\tilde{\Omega}\left(\frac{L}{(1-\gamma)^7\epsilon^2} \right)$, where $D$ is the cardinality of the state-action space, $\gamma$ is the discount factor, and $L$ is a parameter related to the sampling strategy for asynchronous double Q-learning. These results improve the existing convergence rate by the order of magnitude in terms of its dependence on all major parameters $(\epsilon,1-\gamma, D, L)$.  This paper presents a substantial step toward the full understanding of the fast convergence of double-Q learning.
SGD: The Role of Implicit Regularization, Batch-size and Multiple-epochs
Authors: Ayush Sekhari, Karthik Sridharan, Satyen Kale

Multi-epoch, small-batch, Stochastic Gradient Descent (SGD) has been the method of choice for learning with large over-parameterized models. A popular theory for explaining why SGD works well in practice is that the algorithm has an implicit regularization that biases its output towards a good solution. Perhaps the theoretically most well understood learning setting for SGD is that of Stochastic Convex Optimization (SCO), where it is well known that SGD learns at a rate of $O(1/\sqrt{n})$, where $n$ is the number of samples. In this paper, we consider the problem of SCO and explore the role of implicit regularization, batch size and multiple epochs for SGD. Our main contributions are threefold: 

* We show that for any regularizer, there is an SCO problem for which Regularized Empirical Risk Minimzation fails to learn. This automatically rules out any implicit regularization based explanation for the success of SGD.

* We provide a separation between SGD and learning via Gradient Descent on empirical loss (GD) in terms of sample complexity. We show that there is an SCO problem such that GD with any step size and number of iterations can only learn at a suboptimal rate: at least $\widetilde{\Omega}(1/n^{5/12})$.

*  We present a multi-epoch variant of SGD commonly used in practice. We prove that this algorithm is at least as good as single pass SGD in the worst case. However, for certain SCO problems, taking multiple passes over the dataset can significantly outperform single pass SGD. 

We extend our results to the general learning setting by showing a problem which is learnable for any data distribution, and for this problem, SGD is strictly better than RERM for any regularization function. We conclude by discussing the implications of our results for deep learning, and show a separation between SGD and ERM for two layer diagonal neural networks.
ScaleCert: Scalable Certified Defense against Adversarial Patches with Sparse Superficial Layers
Authors: Husheng Han, Kaidi Xu, Xing Hu, Xiaobing Chen, Ling Liang, Zidong Du, Qi Guo, Yanzhi Wang, Yunji Chen

Adversarial patch attacks that craft the pixels in a confined region of the input images show their powerful attack effectiveness in physical environments even with noises or deformations. Existing certified defenses towards adversarial patch attacks work well on small images like MNIST and CIFAR-10 datasets, but achieve very poor certified accuracy on higher-resolution images like ImageNet. It is urgent to design both robust and effective defenses against such a practical and harmful attack in industry-level larger images. In this work, we propose the certified defense methodology that achieves high provable robustness for high-resolution images and largely improves the practicality for real adoption of the certified defense. The basic insight of our work is that the adversarial patch intends to leverage localized superficial important neurons (SIN) to manipulate the prediction results. Hence, we leverage the SIN-based DNN compression techniques to significantly improve the certified accuracy, by reducing the adversarial region searching overhead and filtering the prediction noises. Our experimental results show that the certified accuracy is increased from 36.3%  (the state-of-the-art certified detection)  to 60.4%on the ImageNet dataset, largely pushing the certified defenses for practical use.
Embedding Principle of Loss Landscape of Deep Neural Networks
Authors: Yaoyu Zhang, Zhongwang Zhang, Tao Luo, Zhiqin Xu

Understanding the structure of loss landscape of deep neural networks (DNNs) is obviously important. In this work, we prove an embedding principle that the loss landscape of a DNN "contains" all the critical points of all the narrower DNNs. More precisely, we propose a critical embedding such that any critical point, e.g., local or global minima, of a narrower DNN can be embedded to a critical point/affine subspace of the target DNN with higher degeneracy and preserving the DNN output function. Note that, given any training data, differentiable loss function and differentiable activation function, this embedding structure of critical points holds.This general structure of DNNs is starkly different from other nonconvex problems such as protein-folding.Empirically, we find that a wide DNN is often attracted by highly-degenerate critical points that are embedded from narrow DNNs. The embedding principle provides a new perspective to study the general easy optimization of wide DNNs and unravels a potential implicit low-complexity regularization during the training.Overall, our work provides a skeleton for the study of loss landscape of DNNs and its implication, by which a more exact and comprehensive understanding can be anticipated in the near future.
A Separation Result Between Data-oblivious and Data-aware Poisoning Attacks
Authors: Samuel Deng, Sanjam Garg, Somesh Jha, Saeed Mahloujifar, Mohammad Mahmoody, Abhradeep Guha Thakurta

Poisoning attacks have emerged as a significant security threat to machine learning algorithms. It has been demonstrated that adversaries who make small changes to the training set, such as adding specially crafted data points, can hurt the performance of the output model. Most of these attacks require the full knowledge of training data. This leaves open the possibility of achieving the same attack results using poisoning attacks that do not have the full knowledge of the clean training set.
In this work, we initiate a theoretical study of the problem above. Specifically, for the case of feature selection with LASSO, we show that \emph{full information} adversaries (that craft poisoning examples based on the rest of the training data) are provably much more devastating compared to the optimal attacker that is \emph{oblivious} to the training set yet has access to the distribution of the data.  Our separation result shows that the two settings of data-aware and data-oblivious are fundamentally different and we cannot hope to achieve the same attack or defense results in these scenarios.
Iteratively Reweighted Least Squares for Basis Pursuit with Global Linear Convergence Rate
Authors: Christian Kümmerle, Claudio Mayrink Verdun, Dominik Stöger

The recovery of sparse data is at the core of many applications in machine learning and signal processing. While such problems can be tackled using $\ell_1$-regularization as in the LASSO estimator and in the Basis Pursuit approach, specialized algorithms are typically required to solve the corresponding high-dimensional non-smooth optimization for large instances.
Iteratively Reweighted Least Squares (IRLS) is a widely used algorithm for this purpose due to its excellent numerical performance. However, while existing theory is able to guarantee convergence of this algorithm to the minimizer, it does not provide a global convergence rate. In this paper, we prove that a variant of IRLS converges \emph{with a global linear rate} to a sparse solution, i.e., with a linear error decrease occurring immediately from any initialization if the measurements fulfill the usual null space property assumption. We support our theory by numerical experiments showing that our linear rate captures the correct dimension dependence. We anticipate that our theoretical findings will lead to new insights for many other use cases of the IRLS algorithm, such as in low-rank matrix recovery.
Determinantal point processes based on orthogonal polynomials for sampling minibatches in SGD
Authors: Rémi Bardenet, Subhroshekhar Ghosh, Meixia LIN

Stochastic gradient descent (SGD) is a cornerstone of machine learning. When the number $N$ of data items is large, SGD relies on constructing an unbiased estimator of the gradient of the empirical risk using a small subset of the original dataset, called a minibatch. Default minibatch construction involves uniformly sampling a subset of the desired size, but alternatives have been explored for variance reduction. In particular, experimental evidence suggests drawing minibatches from determinantal point processes (DPPs), tractable distributions over minibatches that favour diversity among selected items. However, like in recent work on DPPs for coresets, providing a systematic and principled understanding of how and why DPPs help has been difficult. In this work, we contribute an orthogonal polynomial-based determinantal point process paradigm for performing minibatch sampling in SGD. Our approach leverages the specific data distribution at hand, which endows it with greater sensitivity and power over existing data-agnostic methods. We substantiate our method via a detailed theoretical analysis of its convergence properties, interweaving between the discrete data set and the underlying continuous domain. In particular, we show how specific DPPs and a string of controlled approximations can lead to gradient estimators with a variance that decays faster with the batchsize than under uniform sampling. Coupled with existing finite-time guarantees for SGD on convex objectives, this entails that, for a large enough batchsize and a fixed budget of item-level gradients to evaluate, DPP minibatches lead to a smaller bound on the mean square approximation error than uniform minibatches. Moreover, our estimators are amenable to a recent algorithm that directly samples linear statistics of DPPs (i.e., the gradient estimator) without sampling the underlying DPP (i.e., the minibatch), thereby reducing computational overhead. We provide detailed synthetic as well as real data experiments to substantiate our theoretical claims.