nils-herrmann/clean_scirepeval huggingface dataset:
Information asymmetry in KL-regularized RL
Authors: Alexandre Galashov, Siddhant M. Jayakumar, Leonard Hasenclever, Dhruva Tirumala, Jonathan Schwarz, Guillaume Desjardins, Wojciech M. Czarnecki, Yee Whye Teh, Razvan Pascanu, Nicolas Heess

Many real world tasks exhibit rich structure that is repeated across different parts of the state space or in time. In this work we study the possibility of leveraging such repeated structure to speed up and regularize learning. We start from the KL regularized expected reward objective which introduces an additional component, a default policy. Instead of relying on a fixed default policy, we learn it from data. But crucially, we restrict the amount of information the default policy receives, forcing it to learn reusable behaviors that help the policy learn faster. We formalize this strategy and discuss connections to information bottleneck approaches and to the variational EM algorithm. We present empirical results in both discrete and continuous action domains and demonstrate that, for certain tasks, learning a default policy alongside the policy can significantly speed up and improve learning.
Please watch the video demonstrating learned experts and default policies on several continuous control tasks ( https://youtu.be/U2qA3llzus8 ).
Learning Two-layer Neural Networks with Symmetric Inputs
Authors: Rong Ge, Rohith Kuditipudi, Zhize Li, Xiang Wang

We give a new algorithm for learning a two-layer neural network under a very general class of input distributions. Assuming there is a ground-truth two-layer network 
y = A \sigma(Wx) + \xi,
where A, W are weight matrices, \xi represents noise, and the number of neurons in the hidden layer is no larger than the input or output,  our algorithm is guaranteed to recover the parameters A, W of the ground-truth network. The only requirement on the input x is that it is symmetric, which still allows highly complicated and structured input. 

Our algorithm is based on the method-of-moments framework and extends several results in tensor decompositions. We use spectral algorithms to avoid the complicated non-convex optimization in learning neural networks. Experiments show that our algorithm can robustly learn the ground-truth neural network with a small number of samples for many symmetric input distributions.
How much Position Information Do Convolutional Neural Networks Encode?
Authors: Md Amirul Islam*, Sen Jia*, Neil D. B. Bruce

In contrast to fully connected networks, Convolutional Neural Networks (CNNs) achieve efficiency by learning weights associated with local filters with a finite spatial extent. An implication of this is that a filter may know what it is looking at, but not where it is positioned in the image. Information concerning absolute position is inherently useful, and it is reasonable to assume that deep CNNs may implicitly learn to encode this information if there is a means to do so. In this paper, we test this hypothesis revealing the surprising degree of absolute position information that is encoded in commonly used neural networks. A comprehensive set of experiments show the validity of this hypothesis and shed light on how and where this information is represented while offering clues to where positional information is derived from in deep CNNs.
On the State of the Art of Evaluation in Neural Language Models
Authors: Gábor Melis, Chris Dyer, Phil Blunsom

Ongoing innovations in recurrent neural network architectures have provided a steady influx of apparently state-of-the-art results on language modelling benchmarks. However, these have been evaluated using differing codebases and limited computational resources, which represent uncontrolled sources of experimental variation. We reevaluate several popular architectures and regularisation methods with large-scale automatic black-box hyperparameter tuning and arrive at the somewhat surprising conclusion that standard LSTM architectures, when properly regularised, outperform more recent models. We establish a new state of the art on the Penn Treebank and Wikitext-2 corpora, as well as strong baselines on the Hutter Prize dataset.
Who Is Your Right Mixup Partner in Positive and Unlabeled Learning
Authors: Changchun Li, Ximing Li, Lei Feng, Jihong Ouyang

Positive and Unlabeled (PU) learning targets inducing a binary classifier from weak training datasets of positive and unlabeled instances, which arise in many real-world applications. In this paper, we propose a novel PU learning method, namely Positive and unlabeled learning with Partially Positive Mixup (P3Mix), which simultaneously benefits from data augmentation and supervision correction with a heuristic mixup technique. To be specific, we take inspiration from the directional boundary deviation phenomenon observed in our preliminary experiments, where the learned PU boundary tends to deviate from the fully supervised boundary towards the positive side. For the unlabeled instances with ambiguous predictive results, we select their mixup partners from the positive instances around the learned PU boundary, so as to transform them into augmented instances near to the boundary yet with more precise supervision. Accordingly, those augmented instances may push the learned PU boundary towards the fully supervised boundary, thereby improving the classification performance. Comprehensive experimental results demonstrate the effectiveness of the heuristic mixup technique in PU learning and show that P3Mix can consistently outperform the state-of-the-art PU learning methods.
Emergent Communication at Scale
Authors: Rahma Chaabouni, Florian Strub, Florent Altché, Eugene Tarassov, Corentin Tallec, Elnaz Davoodi, Kory Wallace Mathewson, Olivier Tieleman, Angeliki Lazaridou, Bilal Piot

Emergent communication aims for a better understanding of human language evolution and building more efficient representations. We posit that reaching these goals will require scaling up, in contrast to a significant amount of literature that focuses on setting up small-scale problems to tease out desired properties of the emergent languages. We focus on three independent aspects to scale up, namely the dataset, task complexity, and population size. We provide a first set of results for large populations solving complex tasks on realistic large-scale datasets, as well as an easy-to-use codebase to enable further experimentation. In more complex tasks and datasets, we find that RL training can become unstable, but responds well to established stabilization techniques.
We also identify the need for a different metric than topographic similarity, which does not correlate with the generalization performances when working with natural images. In this context, we probe ease-of-learnability and transfer methods to assess emergent languages. Finally, we observe that larger populations do not induce robust emergent protocols with high generalization performance, leading us to explore different ways to leverage population, through voting and imitation learning.
Fluctuation-dissipation relations for stochastic gradient descent
Authors: Sho Yaida

The notion of the stationary equilibrium ensemble has played a central role in statistical mechanics. In machine learning as well, training serves as generalized equilibration that drives the probability distribution of model parameters toward stationarity. Here, we derive stationary fluctuation-dissipation relations that link measurable quantities and hyperparameters in the stochastic gradient descent algorithm. These relations hold exactly for any stationary state and can in particular be used to adaptively set training schedule. We can further use the relations to efficiently extract information pertaining to a loss-function landscape such as the magnitudes of its Hessian and anharmonicity. Our claims are empirically verified.
Visual Reasoning by Progressive Module Networks
Authors: Seung Wook Kim, Makarand Tapaswi, Sanja Fidler

Humans learn to solve tasks of increasing complexity by building on top of previously acquired knowledge. Typically, there exists a natural progression in the tasks that we learn – most do not require completely independent solutions, but can be broken down into simpler subtasks. We propose to represent a solver for each task as a neural module that calls existing modules (solvers for simpler tasks) in a functional program-like manner. Lower modules are a black box to the calling module, and communicate only via a query and an output. Thus, a module for a new task learns to query existing modules and composes their outputs in order to produce its own output. Our model effectively combines previous skill-sets, does not suffer from forgetting, and is fully differentiable. We test our model in learning a set of visual reasoning tasks, and demonstrate improved performances in all tasks by learning progressively. By evaluating the reasoning process using human judges, we show that our model is more interpretable than an attention-based baseline.
Computational Separation Between Convolutional and Fully-Connected Networks
Authors: eran malach, Shai Shalev-Shwartz

Convolutional neural networks (CNN) exhibit unmatched performance in a multitude of computer vision tasks. However, the advantage of using convolutional networks over fully-connected networks is not understood from a theoretical perspective. In this work, we show how convolutional networks can leverage locality in the data, and thus achieve a computational advantage over fully-connected networks. Specifically, we show a class of problems that can be efficiently solved using convolutional networks trained with gradient-descent, but at the same time is hard to learn using a polynomial-size fully-connected network.
A Temporal Kernel Approach for Deep Learning with Continuous-time Information
Authors: Da Xu, Chuanwei Ruan, Evren Korpeoglu, Sushant Kumar, Kannan Achan

Sequential deep learning models such as RNN, causal CNN and attention mechanism do not readily consume continuous-time information. Discretizing the temporal data, as we show, causes inconsistency even for simple continuous-time processes. Current approaches often handle time in a heuristic manner to be consistent with the existing deep learning architectures and implementations. In this paper, we provide a principled way to characterize continuous-time systems using deep learning tools. Notably, the proposed approach applies to all the major deep learning architectures and requires little modifications to the implementation. The critical insight is to represent the continuous-time system by composing neural networks with a temporal kernel, where we gain our intuition from the recent advancements in understanding deep learning with Gaussian process and neural tangent kernel. To represent the temporal kernel, we introduce the random feature approach and convert the kernel learning problem to spectral density estimation under reparameterization. We further prove the convergence and consistency results even when the temporal kernel is non-stationary, and the spectral density is misspecified. The simulations and real-data experiments demonstrate the empirical effectiveness of our temporal kernel approach in a broad range of settings.
Bayesian Meta Sampling for Fast Uncertainty Adaptation
Authors: Zhenyi Wang, Yang Zhao, Ping Yu, Ruiyi Zhang, Changyou Chen

Meta learning has been making impressive progress for fast model adaptation. However, limited work has been done on learning fast uncertainty adaption for Bayesian modeling. In this paper, we propose to achieve the goal by placing meta learning on the space of probability measures, inducing the concept of meta sampling for fast uncertainty adaption. Specifically, we propose a Bayesian meta sampling framework consisting of two main components: a meta sampler and a sample adapter. The meta sampler is constructed by adopting a neural-inverse-autoregressive-flow (NIAF) structure, a variant of the recently proposed neural autoregressive flows, to efficiently generate meta samples to be adapted. The sample adapter moves meta samples to task-specific samples, based on a newly proposed and general Bayesian sampling technique, called optimal-transport Bayesian sampling. The combination of the two components allows a simple learning procedure for the
meta sampler to be developed, which can be efficiently optimized via standard back-propagation. Extensive experimental results demonstrate the efficiency and effectiveness of the proposed framework, obtaining better sample quality and faster
uncertainty adaption compared to related methods.
Scalable Transfer Learning with Expert Models
Authors: Joan Puigcerver, Carlos Riquelme Ruiz, Basil Mustafa, Cedric Renggli, André Susano Pinto, Sylvain Gelly, Daniel Keysers, Neil Houlsby

Transfer of pre-trained representations can improve sample efficiency and reduce computational requirements for new tasks. However, representations used for transfer are usually generic, and are not tailored to a particular distribution of downstream tasks. We explore the use of expert representations for transfer with a simple, yet effective, strategy. We train a diverse set of experts by exploiting existing label structures, and use cheap-to-compute performance proxies to select the relevant expert for each target task. This strategy scales the process of transferring to new tasks, since it does not revisit the pre-training data during transfer. Accordingly, it requires little extra compute per target task, and results in a speed-up of 2-3 orders of magnitude compared to competing approaches. Further, we provide an adapter-based architecture able to compress many experts into a single model. We evaluate our approach on two different data sources and demonstrate that it outperforms baselines on over 20 diverse vision tasks in both cases.
Reverse Engineering of Imperceptible Adversarial Image Perturbations
Authors: Yifan Gong, Yuguang Yao, Yize Li, Yimeng Zhang, Xiaoming Liu, Xue Lin, Sijia Liu

It has been well recognized that neural network based image classifiers are easily fooled by images with tiny perturbations crafted by an adversary. There has been a vast volume of research to generate and defend such adversarial attacks. However, the following problem is left unexplored: How to reverse-engineer adversarial perturbations from an adversarial image? This leads to a new adversarial learning paradigm—Reverse Engineering of Deceptions (RED). If successful, RED allows us to estimate adversarial perturbations and recover the original images. However, carefully crafted, tiny adversarial perturbations are difficult to recover by optimizing a unilateral RED objective. For example, the pure image denoising method may overfit to minimizing the reconstruction error but hardly preserve the classification properties of the true adversarial perturbations.  To tackle this challenge, we formalize the RED problem and identify a set of principles crucial to the RED approach design. Particularly, we find that prediction alignment and proper data augmentation (in terms of spatial transformations) are two criteria to achieve a generalizable RED approach. By integrating these RED principles with image denoising, we propose a new Class-Discriminative Denoising based RED framework, termed CDD-RED. Extensive experiments demonstrate the effectiveness of CDD-RED under different evaluation metrics (ranging from the pixel-level, prediction-level to the attribution-level alignment) and a variety of attack generation methods (e.g., FGSM, PGD, CW, AutoAttack, and adaptive attacks).
Cross-Trajectory Representation Learning for Zero-Shot Generalization in RL
Authors: Bogdan Mazoure, Ahmed M Ahmed, R Devon Hjelm, Andrey Kolobov, Patrick MacAlpine

A highly desirable property of a reinforcement learning (RL) agent -- and a major difficulty for deep RL approaches -- is the ability to generalize policies learned on a few tasks over a high-dimensional observation space to similar tasks not seen during training. Many promising approaches to this challenge consider RL as a process of training two functions simultaneously: a complex nonlinear encoder that maps high-dimensional observations to a latent representation space, and a simple linear policy over this space. We posit that a superior encoder for zero-shot generalization in RL can be trained by using solely an auxiliary SSL objective if the training process encourages the encoder to map behaviorally similar observations to similar representations, as reward-based signal can cause overfitting in the encoder (Raileanu et al., 2021). We propose Cross-Trajectory Representation Learning (CTRL), a method that runs within an RL agent and conditions its encoder to recognize behavioral similarity in observations by applying a novel SSL objective to pairs of trajectories from the agent's policies. CTRL can be viewed as having the same effect as inducing a pseudo-bisimulation metric but, crucially, avoids the use of rewards and associated overfitting risks. Our experiments ablate various components of CTRL and demonstrate that in combination with PPO it achieves better generalization performance on the challenging Procgen benchmark suite (Cobbe et al., 2020).
Ancestral protein sequence reconstruction using a tree-structured Ornstein-Uhlenbeck variational autoencoder
Authors: Lys Sanz Moreta, Ola Rønning, Ahmad Salim Al-Sibahi, Jotun Hein, Douglas Theobald, Thomas Hamelryck

We introduce a deep generative model for representation learning of biological sequences that, unlike existing models, explicitly represents the evolutionary process. The model makes use of a tree-structured Ornstein-Uhlenbeck process, obtained from a given phylogenetic tree, as an informative prior for a variational autoencoder. We show the model performs well on the task of ancestral sequence reconstruction of single protein families. Our results and ablation studies indicate that the explicit representation of evolution using a suitable tree-structured prior has the potential to improve representation learning of biological sequences considerably. Finally, we briefly discuss extensions of the model to genomic-scale data sets and the case of a latent phylogenetic tree.
Optimal Representations for Covariate Shift
Authors: Yangjun Ruan, Yann Dubois, Chris J. Maddison

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. 
Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.
Unsupervised Object Keypoint Learning using Local Spatial Predictability
Authors: Anand Gopalakrishnan, Sjoerd van Steenkiste, Jürgen Schmidhuber

We propose PermaKey, a novel approach to representation learning based on object keypoints. It leverages the predictability of local image regions from spatial neighborhoods to identify salient regions that correspond to object parts, which are then converted to keypoints. Unlike prior approaches, it utilizes predictability to discover object keypoints, an intrinsic property of objects. This ensures that it does not overly bias keypoints to focus on characteristics that are not unique to objects, such as movement, shape, colour etc.  We demonstrate the efficacy of PermaKey on Atari where it learns keypoints corresponding to the most salient object parts and is robust to certain visual distractors. Further, on downstream RL tasks in the Atari domain we demonstrate how agents equipped with our keypoints outperform those using competing alternatives, even on challenging environments with moving backgrounds or distractor objects.
Deep 3D Pan via local adaptive "t-shaped" convolutions with global and local adaptive dilations
Authors: Juan Luis Gonzalez Bello, Munchurl Kim

Recent advances in deep learning have shown promising results in many low-level vision tasks. However, solving the single-image-based view synthesis is still an open problem. In particular, the generation of new images at parallel camera views given a single input image is of great interest, as it enables 3D visualization of the 2D input scenery. We propose a novel network architecture to perform stereoscopic view synthesis at arbitrary camera positions along the X-axis, or “Deep 3D Pan”, with “t-shaped” adaptive kernels equipped with globally and locally adaptive dilations. Our proposed network architecture, the monster-net, is devised with a novel t-shaped adaptive kernel with globally and locally adaptive dilation, which can efficiently incorporate global camera shift into and handle local 3D geometries of the target image’s pixels for the synthesis of naturally looking 3D panned views when a 2-D input image is given. Extensive experiments were performed on the KITTI, CityScapes, and our VICLAB_STEREO indoors dataset to prove the efficacy of our method. Our monster-net significantly outperforms the state-of-the-art method (SOTA) by a large margin in all metrics of RMSE, PSNR, and SSIM. Our proposed monster-net is capable of reconstructing more reliable image structures in synthesized images with coherent geometry. Moreover, the disparity information that can be extracted from the “t-shaped” kernel is much more reliable than that of the SOTA for the unsupervised monocular depth estimation task, confirming the effectiveness of our method.
Nonseparable Symplectic Neural Networks
Authors: Shiying Xiong, Yunjin Tong, Xingzhe He, Shuqi Yang, Cheng Yang, Bo Zhu

Predicting the behaviors of Hamiltonian systems has been drawing increasing attention in scientific machine learning. However, the vast majority of the literature was focused on predicting separable Hamiltonian systems with their kinematic and potential energy terms being explicitly decoupled, while building data-driven paradigms to predict nonseparable Hamiltonian systems that are ubiquitous in fluid dynamics and quantum mechanics were rarely explored. The main computational challenge lies in the effective embedding of symplectic priors to describe the inherently coupled evolution of position and momentum, which typically exhibits intricate dynamics. To solve the problem, we propose a novel neural network architecture, Nonseparable Symplectic Neural Networks (NSSNNs), to uncover and embed the symplectic structure of a nonseparable Hamiltonian system from limited observation data. The enabling mechanics of our approach is an augmented symplectic time integrator to decouple the position and momentum energy terms and facilitate their evolution. We demonstrated the efficacy and versatility of our method by predicting a wide range of Hamiltonian systems, both separable and nonseparable, including chaotic vortical flows. We showed the unique computational merits of our approach to yield long-term, accurate, and robust predictions for large-scale Hamiltonian systems by rigorously enforcing symplectomorphism.
Symplectic Recurrent Neural Networks
Authors: Zhengdao Chen, Jianyu Zhang, Martin Arjovsky, Léon Bottou

We propose Symplectic Recurrent Neural Networks (SRNNs) as learning algorithms that capture the dynamics of physical systems from observed trajectories. SRNNs model the Hamiltonian function of the system by a neural networks, and leverage symplectic integration, multiple-step training and initial state optimization to address the challenging numerical issues associated with Hamiltonian systems. We show SRNNs succeed reliably on complex and noisy Hamiltonian systems. Finally, we show how to augment the SRNN integration scheme in order to handle stiff dynamical systems such as bouncing billiards.