nils-herrmann/clean_scirepeval huggingface dataset:
Online and Offline Reinforcement Learning by Planning with a Learned Model
Authors: Julian Schrittwieser, Thomas K Hubert, Amol Mandhane, Mohammadamin Barekatain, Ioannis Antonoglou, David Silver

Learning efficiently from small amounts of data has long been the focus of model-based reinforcement learning, both for the online case when interacting with the environment, and the offline case when learning from a fixed dataset. However, to date no single unified algorithm could demonstrate state-of-the-art results for both settings.
In this work, we describe the Reanalyse algorithm, which uses model-based policy and value improvement operators to compute improved training targets for existing data points, allowing for efficient learning at data budgets varying by several orders of magnitude. We further show that Reanalyse can also be used to learn completely without environment interactions, as in the case of Offline Reinforcement Learning (Offline RL). Combining Reanalyse with the MuZero algorithm, we introduce MuZero Unplugged, a single unified algorithm for any data budget, including Offline RL. In contrast to previous work, our algorithm requires no special adaptations for the off-policy or Offline RL settings. MuZero Unplugged sets new state-of-the-art results for Atari in the standard 200 million frame online setting as well as in the RL Unplugged Offline RL benchmark.
Stochastic Multi-Armed Bandits with Control Variates
Authors: Arun Verma, Manjesh Kumar Hanawal

This paper studies a new variant of the stochastic multi-armed bandits problem where auxiliary information about the arm rewards is available in the form of control variates. In many applications like queuing and wireless networks, the arm rewards are functions of some exogenous variables. The mean values of these variables are known a priori from historical data and can be used as control variates.  Leveraging the theory of control variates, we obtain mean estimates with smaller variance and tighter confidence bounds. We develop an upper confidence bound based algorithm named UCB-CV and characterize the regret bounds in terms of the correlation between rewards and control variates when they follow a multivariate normal distribution. We also extend UCB-CV to other distributions using resampling methods like Jackknifing and Splitting. Experiments on synthetic problem instances validate performance guarantees of the proposed algorithms.
Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent
Authors: Priyank Jaini, Lars Holdijk, Max Welling

We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling method based on Stein's identity for sampling from densities with symmetries. Equivariant SVGD explicitly incorporates symmetry information in a density through equivariant kernels which makes the resultant sampler efficient both in terms of sample complexity and the quality of generated samples. Subsequently, we define equivariant energy based models to model invariant densities that are learned using contrastive divergence. By utilizing our equivariant SVGD for training equivariant EBMs, we propose new ways of improving and scaling up training of energy based models. We apply these equivariant energy models for modelling joint densities in regression and classification tasks for image datasets, many-body particle systems and molecular structure generation.
Sparse Deep Learning: A New Framework Immune to Local Traps and Miscalibration
Authors: Yan Sun, Wenjun Xiong, Faming Liang

Deep learning has powered recent successes of artificial intelligence (AI). However, the deep neural network, as the basic model of deep learning,  has suffered from issues such as local traps and miscalibration. In this paper, we provide a new framework for sparse deep learning, which has the above issues addressed in a coherent way. In particular, we lay down a theoretical foundation for sparse deep learning and propose prior annealing algorithms for learning sparse neural networks. The former has successfully tamed the sparse deep neural network into the framework of statistical modeling, enabling prediction uncertainty correctly quantified. The latter can be asymptotically guaranteed to converge to the global optimum, enabling the validity of the down-stream statistical inference. Numerical result indicates the superiority of the proposed method compared to the existing ones.
Explicable Reward Design for Reinforcement Learning Agents
Authors: Rati Devidze, Goran Radanovic, Parameswaran Kamalaruban, Adish Singla

We study the design of explicable reward functions for a reinforcement learning agent while guaranteeing that an optimal policy induced by the function belongs to a set of target policies. By being explicable, we seek to capture two properties: (a) informativeness so that the rewards speed up the agent's convergence, and (b) sparseness as a proxy for ease of interpretability of the rewards. The key challenge is that higher informativeness typically requires dense rewards for many learning tasks, and existing techniques do not allow one to balance these two properties appropriately. In this paper, we investigate the problem from the perspective of discrete optimization and introduce a novel framework, ExpRD, to design explicable reward functions. ExpRD builds upon an informativeness criterion that captures the (sub-)optimality of target policies at different time horizons in terms of actions taken from any given starting state. We provide a  mathematical analysis of ExpRD, and show its connections to existing reward design techniques, including potential-based reward shaping. Experimental results on two navigation tasks demonstrate the effectiveness of ExpRD in designing explicable reward functions.
Overcoming the Convex Barrier for Simplex Inputs
Authors: Harkirat Singh, M. Pawan Kumar, Philip Torr, Krishnamurthy Dj Dvijotham

Recent progress in neural network verification has challenged the notion of a convex barrier, that is, an inherent weakness in the convex relaxation of the output of a neural network. Specifically, there now exists a tight relaxation for verifying the robustness of a neural network to $\ell_\infty$ input perturbations, as well as efficient primal and dual solvers for the relaxation. Buoyed by this success, we consider the problem of developing similar techniques for verifying robustness to input perturbations within the probability simplex. We prove a somewhat surprising result that, in this case, not only can one design a tight relaxation that overcomes the convex barrier, but the size of the relaxation remains linear in the number of neurons, thereby leading to simpler and more efficient algorithms. We establish the scalability of our overall approach via the specification of $\ell_1$ robustness for CIFAR-10 and MNIST classification, where our approach improves the state of the art verified accuracy by up to $14.4\%$. Furthermore, we establish its accuracy on a novel and highly challenging task of verifying the robustness of a multi-modal (text and image) classifier to arbitrary changes in its textual input.
Understanding the Under-Coverage Bias in Uncertainty Estimation
Authors: Yu Bai, Song Mei, Huan Wang, Caiming Xiong

Estimating the data uncertainty in regression tasks is often done by learning a quantile function or a prediction interval of the true label conditioned on the input. It is frequently observed that quantile regression---a vanilla algorithm for learning quantiles with asymptotic guarantees---tends to *under-cover* than the desired coverage level in reality. While various fixes have been proposed, a more fundamental understanding of why this under-coverage bias happens in the first place remains elusive.
In this paper, we present a rigorous theoretical study on the coverage of uncertainty estimation algorithms in learning quantiles. We prove that quantile regression suffers from an inherent under-coverage bias, in a vanilla setting where we learn a realizable linear quantile function and there is more data than parameters. More quantitatively, for $\alpha>0.5$ and small $d/n$, the $\alpha$-quantile learned by quantile regression roughly achieves coverage $\alpha - (\alpha-1/2)\cdot d/n$ regardless of the noise distribution, where $d$ is the input dimension and $n$ is the number of training data. Our theory reveals that this under-coverage bias stems from a certain high-dimensional parameter estimation error that is not implied by existing theories on quantile regression. Experiments on simulated and real data verify our theory and further illustrate the effect of various factors such as sample size and model capacity on the under-coverage bias in more practical setups.
Dueling Bandits with Team Comparisons
Authors: Lee Cohen, Ulrike Schmidt-Kraepelin, Yishay Mansour

We introduce the dueling teams problem, a new online-learning setting in which the learner observes noisy comparisons of disjoint pairs of $k$-sized teams from a universe of $n$ players. The goal of the learner is to minimize the number of duels required to identify, with high probability, a Condorcet winning team, i.e., a team which wins against any other disjoint team (with probability at least $1/2$).
Noisy comparisons are linked to a total order on the teams. 
We formalize our model by building upon the dueling bandits setting (Yue et al. 2012) and provide several algorithms, both for stochastic and deterministic settings. For the stochastic setting, we provide a reduction to the classical dueling bandits setting, yielding an algorithm that identifies a Condorcet winning team within $\mathcal{O}((n + k \log (k)) \frac{\max(\log\log n, \log k)}{\Delta^2})$ duels, where $\Delta$ is a gap parameter. For deterministic feedback, we additionally present a gap-independent algorithm that identifies a Condorcet winning team within $\mathcal{O}(nk\log(k)+k^5)$ duels.
Rebooting ACGAN: Auxiliary Classifier GANs with Stable Training
Authors: Minguk Kang, Woohyeon Joseph Shim, Minsu Cho, Jaesik Park

Conditional Generative Adversarial Networks (cGAN) generate realistic images by incorporating class information into GAN. While one of the most popular cGANs is an auxiliary classifier GAN with softmax cross-entropy loss (ACGAN), it is widely known that training ACGAN is challenging as the number of classes in the dataset increases. ACGAN also tends to generate easily classifiable samples with a lack of diversity. In this paper, we introduce two cures for ACGAN. First, we identify that gradient exploding in the classifier can cause an undesirable collapse in early training, and projecting input vectors onto a unit hypersphere can resolve the problem. Second, we propose the Data-to-Data Cross-Entropy loss (D2D-CE) to exploit relational information in the class-labeled dataset. On this foundation, we propose the Rebooted Auxiliary Classifier Generative Adversarial Network (ReACGAN). The experimental results show that ReACGAN achieves state-of-the-art generation results on CIFAR10, Tiny-ImageNet, CUB200, and ImageNet datasets. We also verify that ReACGAN benefits from differentiable augmentations and that D2D-CE harmonizes with StyleGAN2 architecture. Model weights and a software package that provides implementations of representative cGANs and all experiments in our paper are available at https://github.com/POSTECH-CVLab/PyTorch-StudioGAN.
Locally private online change point detection
Authors: Thomas Berrett, Yi Yu

We study online change point detection problems under the constraint of local differential privacy (LDP) where, in particular, the statistician does not have access to the raw data.  As a concrete problem, we study a multivariate nonparametric regression problem.  At each time point $t$, the raw data are assumed to be of the form $(X_t, Y_t)$, where $X_t$ is a $d$-dimensional feature vector and $Y_t$ is a response variable. Our primary aim is to detect changes in the regression function $m_t(x)=\mathbb{E}(Y_t |X_t=x)$ as soon as the change occurs.  We provide algorithms which respect the LDP constraint, which control the false alarm probability, and which detect changes with a minimal (minimax rate-optimal) delay.  To quantify the cost of privacy, we also present the optimal rate in the benchmark, non-private setting.  These non-private results are also new to the literature and thus are interesting \emph{per se}.  In addition, we study the univariate mean online change point detection problem, under privacy constraints.  This serves as the blueprint of studying more complicated private change point detection problems.
Partition and Code: learning how to compress graphs
Authors: Giorgos Bouritsas, Andreas Loukas, Nikolaos Karalias, Michael M. Bronstein

Can we use machine learning to compress graph data? The absence of ordering in graphs poses a significant challenge to conventional compression algorithms, limiting their attainable gains as well as their ability to discover relevant patterns. On the other hand, most graph compression approaches rely on domain-dependent handcrafted representations and cannot adapt to different underlying graph distributions. This work aims to establish the necessary principles a lossless graph compression method should follow to approach the entropy storage lower bound. Instead of making rigid assumptions about the graph distribution, we formulate the compressor as a probabilistic model that can be learned from data and generalise to unseen instances. Our “Partition and Code” framework entails three steps: first, a partitioning algorithm decomposes the graph into subgraphs, then these are mapped to the elements of a small dictionary on which we learn a probability distribution, and finally,  an entropy encoder translates the representation into bits.  All the components (partitioning, dictionary and distribution) are parametric and can be trained with gradient descent. We theoretically compare the compression quality of several graph encodings and prove, under mild conditions, that PnC achieves compression gains that grow either linearly or quadratically with the number of vertices. Empirically, PnC yields significant compression improvements on diverse real-world networks.
Charting and Navigating the Space of Solutions for Recurrent Neural Networks
Authors: Elia Turner, Kabir Vinay Dabholkar, Omri Barak

In recent years Recurrent Neural Networks (RNNs) were successfully used to model the way neural activity drives task-related behavior in animals, operating under the implicit assumption that the obtained solutions are universal. Observations in both neuroscience and machine learning challenge this assumption. Animals can approach a given task with a variety of strategies, and training machine learning algorithms introduces the phenomenon of underspecification. These observations imply that every task is associated with a space of solutions. To date, the structure of this space is not understood, limiting the approach of comparing RNNs with neural data.
Here, we characterize the space of solutions associated with various tasks. We first study a simple two-neuron network on a task that leads to multiple solutions. We trace the nature of the final solution back to the network’s initial connectivity and identify discrete dynamical regimes that underlie this diversity. We then examine three neuroscience-inspired tasks: Delayed discrimination, Interval discrimination, and Time reproduction. For each task, we find a rich set of solutions. One layer of variability can be found directly in the neural activity of the networks. An additional layer is uncovered by testing the trained networks' ability to extrapolate, as a perturbation to a system often reveals hidden structure. Furthermore, we relate extrapolation patterns to specific dynamical objects and effective algorithms found by the networks. We introduce a tool to derive the reduced dynamics of networks by generating a compact directed graph describing the essence of the dynamics with regards to behavioral inputs and outputs. Using this representation, we can partition the solutions to each task into a handful of types and show that neural features can partially predict them.
Taken together, our results shed light on the concept of the space of solutions and its uses both in Machine learning and in Neuroscience.
Remember What You Want to Forget: Algorithms for Machine Unlearning
Authors: Ayush Sekhari, Jayadev Acharya, Gautam Kamath, Ananda Theertha Suresh

We study the problem of unlearning datapoints from a learnt model. The learner first receives a dataset $S$ drawn i.i.d. from an unknown distribution, and outputs a model $\widehat{w}$ that performs well on  unseen samples from the same distribution. However, at some point in the future, any training datapoint $z \in S$ can request to be unlearned, thus prompting the learner to modify its output model while still ensuring the same accuracy guarantees.  We initiate a rigorous study of generalization in machine unlearning, where the goal is to perform well on previously unseen datapoints. Our focus is on both computational and storage complexity. 

For the setting of convex losses, we provide an unlearning algorithm that can unlearn up to $O(n/d^{1/4})$ samples, where $d$ is the problem dimension. In comparison, in general, differentially private learning (which implies unlearning) only guarantees deletion of $O(n/d^{1/2})$ samples. This demonstrates a novel separation between differential privacy and machine unlearning.
ReSSL: Relational Self-Supervised Learning with Weak Augmentation
Authors: Mingkai Zheng, Shan You, Fei Wang, Chen Qian, Changshui Zhang, Xiaogang Wang, Chang Xu

Self-supervised Learning (SSL) including the mainstream contrastive learning has achieved great success in learning visual representations without data annotations. However, most of methods mainly focus on the instance level information (\ie, the different augmented images of the same instance should have the same feature or cluster into the same class), but there is a lack of attention on the relationships between different instances. In this paper, we introduced a novel SSL paradigm, which we term as relational self-supervised learning  (ReSSL) framework that learns representations by modeling the relationship between different instances. Specifically, our proposed method employs sharpened distribution of pairwise similarities among different instances as \textit{relation} metric, which is thus utilized to match the feature embeddings of different augmentations. Moreover, to boost the performance, we argue that weak augmentations matter to represent a more reliable relation, and leverage momentum strategy for practical efficiency. Experimental results show that our proposed ReSSL significantly outperforms the previous state-of-the-art algorithms in terms of both performance and training efficiency.
Stability and Generalization of Bilevel Programming in Hyperparameter Optimization
Authors: Fan Bao, Guoqiang Wu, Chongxuan Li, Jun Zhu, Bo Zhang

The (gradient-based) bilevel programming framework is widely used in hyperparameter optimization and has achieved excellent performance empirically. Previous theoretical work mainly focuses on its optimization properties, while leaving the analysis on generalization largely open. This paper attempts to address the issue by presenting an expectation bound w.r.t. the validation set based on uniform stability. Our results can explain some mysterious behaviours of the bilevel programming in practice, for instance, overfitting to the validation set. We also present an expectation bound for the classical cross-validation algorithm. Our results suggest that gradient-based algorithms can be better than cross-validation under certain conditions in a theoretical perspective. Furthermore, we prove that regularization terms in both the outer and inner levels can relieve the overfitting problem in  gradient-based algorithms. In experiments on feature learning and data reweighting for noisy labels, we corroborate our theoretical findings.
Combiner: Full Attention Transformer with Sparse Computation Cost
Authors: Hongyu Ren, Hanjun Dai, Zihang Dai, Mengjiao Yang, Jure Leskovec, Dale Schuurmans, Bo Dai

Transformers provide a class of expressive architectures that are extremely effective for sequence modeling. However, the key limitation of transformers is their quadratic memory and time complexity $\mathcal{O}(L^2)$ with respect to the sequence length in attention layers, which restricts application in extremely long sequences. Most existing approaches leverage sparsity or low-rank assumptions in the attention matrix to reduce cost, but sacrifice expressiveness. Instead, we propose Combiner, which provides full attention capability in each attention head while maintaining low computation and memory complexity. The key idea is to treat the self-attention mechanism as a conditional expectation over embeddings at each location, and approximate the conditional distribution with a structured factorization. Each location can attend to all other locations, either via direct attention, or through indirect attention to abstractions, which are again conditional expectations of embeddings from corresponding local regions. We show that most sparse attention patterns used in existing sparse transformers are able to inspire the design of such factorization for full attention, resulting in the same sub-quadratic cost ($\mathcal{O}(L\log(L))$ or $\mathcal{O}(L\sqrt{L})$). Combiner is a drop-in replacement for attention layers in existing transformers and can be easily implemented in common frameworks. An experimental evaluation on both autoregressive and bidirectional sequence tasks demonstrates the effectiveness of this approach, yielding state-of-the-art results on several image and text modeling tasks.
Tensor Normal Training for Deep Learning Models
Authors: Yi Ren, Donald Goldfarb

Despite the predominant use of first-order methods for training deep learning models, second-order methods, and in particular, natural gradient methods, remain of interest because of their potential for accelerating training through the use of curvature information. Several methods with non-diagonal preconditioning matrices, including KFAC, Shampoo, and K-BFGS, have been proposed and shown to be effective. Based on the so-called tensor normal (TN) distribution, we propose and analyze a brand new approximate natural gradient method, Tensor Normal Training (TNT), which like Shampoo, only requires knowledge of the shape of the training parameters. By approximating the probabilistically based Fisher matrix, as opposed to the empirical Fisher matrix, our method uses the block-wise covariance of the sampling based gradient as the pre-conditioning matrix. Moreover, the assumption that the sampling-based (tensor) gradient follows a TN distribution, ensures that its covariance has a Kronecker separable structure, which leads to a tractable approximation to the Fisher matrix. Consequently, TNT's memory requirements and per-iteration computational costs are only slightly higher than those for first-order methods. In our experiments, TNT exhibited superior optimization performance to state-of-the-art first-order methods, and comparable optimization performance to the state-of-the-art second-order methods KFAC and Shampoo. Moreover, TNT demonstrated its ability to generalize as well as first-order methods, while using fewer epochs.