nils-herrmann/clean_scirepeval huggingface dataset:
Adaptive Structural Fingerprints for Graph Attention Networks
Authors: Kai Zhang, Yaokang Zhu, Jun Wang, Jie Zhang

Graph attention network (GAT) is a promising framework to perform convolution and massage passing on graphs. Yet, how to fully exploit rich structural information in the attention mechanism remains a challenge. In the current version, GAT calculates attention scores mainly using node features and among one-hop neighbors, while increasing the attention range to higher-order neighbors can negatively affect its performance, reflecting the over-smoothing risk of GAT (or graph neural networks in general), and the ineffectiveness in exploiting graph structural details. In this paper, we propose an ``"adaptive structural fingerprint" (ADSF) model to fully exploit graph topological details in graph attention network. The key idea is to contextualize each node with a weighted, learnable receptive field  encoding rich and diverse local graph structures. By doing this, structural interactions between the nodes can  be inferred accurately, thus significantly improving subsequent attention layer as well as the convergence of learning. Furthermore, our model provides a useful platform  for different subspaces of node features and various scales of graph structures to ``cross-talk'' with each other through the learning of multi-head attention, being particularly useful in handling complex real-world data. Empirical results demonstrate the power of our approach in exploiting rich structural information in GAT and in alleviating  the intrinsic oversmoothing problem in graph neural networks.
Adjustable Real-time Style Transfer
Authors: Mohammad Babaeizadeh, Golnaz Ghiasi

Artistic style transfer is the problem of synthesizing an image with content similar to a given image and style similar to another. Although recent feed-forward neural networks can generate stylized images in real-time, these models produce a single stylization given a pair of style/content images, and the user doesn't have control over the synthesized output. Moreover, the style transfer depends on the hyper-parameters of the model with varying ``optimum" for different input images. Therefore, if the stylized output is not appealing to the user, she/he has to try multiple models or retrain one with different hyper-parameters to get a favorite stylization. In this paper, we address these issues by proposing a novel method which allows adjustment of crucial hyper-parameters, after the training and in real-time, through a set of manually adjustable parameters. These parameters enable the user to modify the synthesized outputs from the same pair of style/content images, in search of a favorite stylized image. Our quantitative and qualitative experiments indicate how adjusting these parameters is comparable to retraining the model with different hyper-parameters. We also demonstrate how these parameters can be randomized to generate results which are diverse but still very similar in style and content.
CoT: Cooperative Training for Generative Modeling of Discrete Data
Authors: Sidi Lu, Lantao Yu, Siyuan Feng, Yaoming Zhu, Weinan Zhang, Yong Yu

We propose Cooperative Training (CoT) for training generative models that measure a tractable density for discrete data. CoT coordinately trains a generator G and an auxiliary predictive mediator M. The training target of M is to estimate a mixture density of the learned distribution G and the target distribution P, and that of G is to minimize the Jensen-Shannon divergence estimated through M. CoT achieves independent success without the necessity of pre-training via Maximum Likelihood Estimation or involving high-variance algorithms like REINFORCE. This low-variance algorithm is theoretically proved to be superior for both sample generation and likelihood prediction. We also theoretically and empirically show the superiority of CoT over most previous algorithms in terms of generative quality and diversity, predictive generalization ability and computational cost.
G-SGD: Optimizing ReLU Neural Networks in its Positively Scale-Invariant Space
Authors: Qi Meng, Shuxin Zheng, Huishuai Zhang, Wei Chen, Qiwei Ye, Zhi-Ming Ma, Nenghai Yu, Tie-Yan Liu

It is well known that neural networks with rectified linear units (ReLU) activation functions are positively scale-invariant. Conventional algorithms like stochastic gradient descent optimize the neural networks in the vector space of weights, which is, however, not positively scale-invariant. This mismatch may lead to problems during the optimization process. Then, a natural question is: \emph{can we construct a new vector space that is positively scale-invariant and sufficient to represent ReLU neural networks so as to better facilitate the optimization process }? In this paper, we provide our positive answer to this question. First, we conduct a formal study on the positive scaling operators which forms a transformation group, denoted as $\mathcal{G}$. We prove that the value of a path (i.e. the product of the weights along the path) in the neural network is invariant to positive scaling and the value vector of all the paths is sufficient to represent the neural networks under mild conditions. Second, we show that one can identify some basis paths out of all the paths and prove that the linear span of their value vectors (denoted as $\mathcal{G}$-space) is an invariant space with lower dimension under the positive scaling group. Finally, we design stochastic gradient descent algorithm in $\mathcal{G}$-space (abbreviated as $\mathcal{G}$-SGD) to optimize the value vector of the basis paths of neural networks with little extra cost by leveraging back-propagation. Our experiments show that $\mathcal{G}$-SGD significantly outperforms the conventional SGD algorithm in optimizing ReLU networks on benchmark datasets.
Learning-Augmented Sketches for Hessians 
Authors: Yi Li, Honghao Lin, David Woodruff

Sketching is a dimensionality reduction technique where one compresses a matrix by linear combinations that are typically chosen at random. A line of work has shown how to sketch the Hessian to speed up each iteration in a second order method, but such sketches usually depend only on the matrix at hand, and in a number of cases are even oblivious to the input matrix. One could instead hope to learn a distribution on sketching matrices that is optimized for the specific distribution of input matrices. We show how to design learned sketches for the Hessian in the context of second order methods. We prove that a smaller sketching dimension of the column space of a tall matrix is possible, assuming the knowledge of the indices of the rows of large leverage scores. This would lead to faster convergence of the iterative Hessian sketch procedure. We also design a new objective to learn the sketch, whereby we optimize the subspace embedding property of the sketch. We show empirically that learned sketches, compared with their "non-learned" counterparts, do improve the approximation accuracy for important problems, including LASSO and matrix estimation with nuclear norm constraints.
Graph Partition Neural Networks for Semi-Supervised Classification
Authors: Renjie Liao, Marc Brockschmidt, Daniel Tarlow, Alexander Gaunt, Raquel Urtasun, Richard S. Zemel

We present graph partition neural networks (GPNN), an extension of graph neural networks (GNNs) able to handle extremely large graphs. GPNNs alternate between locally propagating information between nodes in small subgraphs and globally propagating information between the subgraphs. To efficiently partition graphs, we experiment with spectral partitioning and also propose a modified multi-seed flood fill for fast processing of large scale graphs. We extensively test our model on a variety of semi-supervised node classification tasks. Experimental results indicate that GPNNs are either superior or comparable to state-of-the-art methods on a wide variety of datasets for graph-based semi-supervised classification. We also show that GPNNs can achieve similar performance as standard GNNs with fewer propagation steps.
Farkas layers: don't shift the data, fix the geometry
Authors: Aram-Alexandre Pooladian, Chris Finlay, Adam M Oberman

Successfully training deep neural networks often requires either {batch normalization}, appropriate {weight initialization}, both of which come with their own challenges. We propose an alternative, geometrically motivated method for training. Using elementary results from linear programming, we introduce Farkas layers: a method that ensures at least one neuron is active at a given layer. Focusing on residual networks with ReLU activation, we empirically demonstrate a significant improvement in training capacity in the absence of batch normalization or methods of initialization across a broad range of network sizes on benchmark datasets.
Hindsight Foresight Relabeling for Meta-Reinforcement Learning
Authors: Michael Wan, Jian Peng, Tanmay Gangwani

Meta-reinforcement learning (meta-RL) algorithms allow for agents to learn new behaviors from small amounts of experience, mitigating the sample inefficiency problem in RL. However, while meta-RL agents can adapt quickly to new tasks at test time after experiencing only a few trajectories, the meta-training process is still sample-inefficient. Prior works have found that in the multi-task RL setting, relabeling past transitions and thus sharing experience among tasks can improve sample efficiency and asymptotic performance. We apply this idea to the meta-RL setting and devise a new relabeling method called Hindsight Foresight Relabeling (HFR). We construct a relabeling distribution using the combination of "hindsight", which is used to relabel trajectories using reward functions from the training task distribution, and "foresight", which takes the relabeled trajectories and computes the utility of each trajectory for each task. HFR is easy to implement and readily compatible with existing meta-RL algorithms. We find that HFR improves performance when compared to other relabeling methods on a variety of meta-RL tasks.
Adversarial Attacks on Binary Image Recognition Systems
Authors: Eric Balkanski, Harrison Chase, Kojin Oshiba, Alexander Rilee, Yaron Singer, Richard Wang

We initiate the study of adversarial attacks on models for binary (i.e. black and white) image classification. Although there has been a great deal of work on attacking models for colored and grayscale images, little is known about attacks on models for binary images. Models trained to classify binary images are used in text recognition applications such as check processing, license plate recognition, invoice processing, and many others. In contrast to colored and grayscale images, the search space of attacks on binary images is extremely restricted and noise cannot be hidden with minor perturbations in each pixel. Thus, the optimization landscape of attacks on binary images introduces new fundamental challenges.

In this paper we introduce a new attack algorithm called Scar, designed to fool classifiers of binary images. We show that Scar significantly outperforms existing L0 attacks applied to the binary setting and use it to demonstrate the vulnerability of real-world text recognition systems. Scar’s strong performance in practice contrasts with hardness results that show the existence of worst-case classifiers for binary images that are robust to large perturbations. In many cases, altering a single pixel is sufficient to trick Tesseract, a popular open-source text recognition system, to misclassify a word as a different word in the English dictionary. We also demonstrate the vulnerability of check recognition by fooling commercial check processing systems used by major US banks for mobile deposits. These systems are substantially harder to fool since they classify both the handwritten amounts in digits and letters, independently. Nevertheless, we generalize Scar to design attacks that fool state-of-the-art check processing systems using unnoticeable perturbations that lead to misclassification of deposit amounts. Consequently, this is a powerful method to perform financial fraud.
CATER: A diagnostic dataset for Compositional Actions & TEmporal Reasoning
Authors: Rohit Girdhar, Deva Ramanan

Computer vision has undergone a dramatic revolution in performance, driven in large part through deep features trained on large-scale supervised datasets. However, much of these improvements have focused on static image analysis; video understanding has seen rather modest improvements. Even though new datasets and spatiotemporal models have been proposed, simple frame-by-frame classification methods often still remain competitive. We posit that current video datasets are plagued with implicit biases over scene and object structure that can dwarf variations in temporal structure. In this work, we build a video dataset with fully observable and controllable object and scene bias, and which truly requires spatiotemporal understanding in order to be solved. Our dataset, named CATER, is rendered synthetically using a library of standard 3D objects, and tests the ability to recognize compositions of object movements that require long-term reasoning. In addition to being a challenging dataset, CATER also provides a plethora of diagnostic tools to analyze modern spatiotemporal video architectures by being completely observable and controllable. Using CATER, we provide insights into some of the most recent state of the art deep video architectures.
Towards Robust Neural Networks via Close-loop Control
Authors: Zhuotong Chen, Qianxiao Li, Zheng Zhang

Despite their success in massive engineering applications, deep neural networks are vulnerable to various perturbations due to their black-box nature. Recent study has shown that a deep neural network can misclassify the data even if the input data is perturbed by an imperceptible amount. In this paper, we address the robustness issue of neural networks by a novel close-loop control method from the perspective of dynamic systems. Instead of modifying the parameters in a fixed neural network architecture, a close-loop control process is added to generate control signals adaptively for the perturbed or corrupted data. We connect the robustness of neural networks with optimal control using the geometrical information of underlying data to design the control objective. The detailed analysis shows how the embedding manifolds of state trajectory affect error estimation of the proposed method. Our approach can simultaneously maintain the performance on clean data and improve the robustness against many types of data perturbations. It can also further improve the performance of robustly trained neural networks against different perturbations. To the best of our knowledge, this is the first work that improves the robustness of neural networks with close-loop control.
Recurrent Neural Network Architecture based on Dynamic Systems Theory for Data Driven Modelling of Complex Physical Systems
Authors: Deniz Neufeld

While dynamic systems can be modelled  as sequence-to-sequence tasks  by deep learning using different network architectures like DNN, CNN, RNNs or neural ODEs, the resulting models often provide poor understanding of the underlying system properties. We propose a new recurrent network architecture, the Dynamic Recurrent Network, where the computation function is based on the discrete difference equations of basic linear system transfer functions known from dynamic system identification. This results in a more explainable model, since the learnt weights can provide insight on a system's time dependent  behaviour.  It also introduces the sequences' sampling rate as an additional model parameter, which can be leveraged, for example, for time series data augmentation and model robustness checks. The network is trained using traditional gradient descent optimization and can be used in combination with other state of the art neural network layers. We show that our new layer type yields results comparable to or better than other recurrent layer types on several system identification tasks.
Learning to Act by Predicting the Future
Authors: Alexey Dosovitskiy, Vladlen Koltun

We present an approach to sensorimotor control in immersive environments. Our approach utilizes a high-dimensional sensory stream and a lower-dimensional measurement stream. The cotemporal structure of these streams provides a rich supervisory signal, which enables training a sensorimotor control model by interacting with the environment. The model is trained using supervised learning techniques, but without extraneous supervision. It learns to act based on raw sensory input from a complex three-dimensional environment. The presented formulation enables learning without a fixed goal at training time, and pursuing dynamically changing goals at test time. We conduct extensive experiments in three-dimensional simulations based on the classical first-person game Doom. The results demonstrate that the presented approach outperforms sophisticated prior formulations, particularly on challenging tasks. The results also show that trained models successfully generalize across environments and goals. A model trained using the presented approach won the Full Deathmatch track of the Visual Doom AI Competition, which was held in previously unseen environments.
Neural networks are a priori biased towards Boolean functions with low entropy
Authors: Chris Mingard, Joar Skalse, Guillermo Valle-Pérez, David Martínez-Rubio, Vladimir Mikulik, Ard A. Louis

Understanding the inductive bias of neural networks is critical to explaining their ability to generalise.  Here,  
for one of the simplest neural networks -- a single-layer perceptron with $n$ input neurons,  one output neuron, and no threshold bias term -- we prove that upon random initialisation of weights, the a priori probability  $P(t)$ that it represents a Boolean function that classifies $t$ points in $\{0,1\}^n$ as $1$ has a remarkably simple form: $
P(t) = 2^{-n} \,\, {\rm for} \,\, 0\leq t < 2^n$.
Since a perceptron can express far fewer Boolean functions with small or large values of $t$ (low "entropy") than with intermediate values of $t$ (high "entropy") there is, on average, a strong intrinsic a-priori bias towards individual functions with low entropy. Furthermore, within a class of functions with fixed $t$, we often observe a further intrinsic bias towards functions of lower complexity.
Finally, we prove that, regardless of the distribution of inputs, the bias towards low entropy becomes monotonically stronger upon adding ReLU layers, and empirically show that increasing the variance of the bias term has a similar effect.
Learning Compact Embedding Layers via Differentiable Product Quantization
Authors: Ting Chen, Lala Li, Yizhou Sun

Embedding layers are commonly used to map discrete symbols into continuous embedding vectors that reflect their semantic meanings. Despite their effectiveness, the number of parameters in an embedding layer increases linearly with the number of symbols and poses a critical challenge on memory and storage constraints. In this work, we propose a generic and end-to-end learnable compression framework termed differentiable product quantization (DPQ). We present two instantiations of DPQ that leverage different approximation techniques to enable differentiability in end-to-end learning. Our method can readily serve as a drop-in alternative for any existing embedding layer. Empirically, DPQ offers significant compression ratios (14-238x) at negligible or no performance cost on 10 datasets across three different language tasks.
DLVM: A modern compiler infrastructure for deep learning systems
Authors: Richard Wei, Lane Schwartz, Vikram Adve

Deep learning software demands reliability and performance. However, many of the existing deep learning frameworks are software libraries that act as an unsafe DSL in Python and a computation graph interpreter. We present DLVM, a design and implementation of a compiler infrastructure with a linear algebra intermediate representation, algorithmic differentiation by adjoint code generation, domain- specific optimizations and a code generator targeting GPU via LLVM. Designed as a modern compiler infrastructure inspired by LLVM, DLVM is more modular and more generic than existing deep learning compiler frameworks, and supports tensor DSLs with high expressivity. With our prototypical staged DSL embedded in Swift, we argue that the DLVM system enables a form of modular, safe and performant frameworks for deep learning.
Graph Learning via Spectral Densification
Authors: Zhuo Feng, Yongyu Wang, Zhiqiang Zhao

Graph learning plays important role in many data mining and machine learning tasks, such as manifold learning, data representation and analysis, dimensionality reduction, data clustering, and visualization, etc. For the first time, we present a highly-scalable spectral graph densification approach (GRASPEL) for graph learning from data. By limiting the precision matrix to be a graph-Laplacian-like matrix in graphical Lasso, our approach aims to learn ultra-sparse undirected graphs from potentially high-dimensional input data. A very unique property of the graphs learned by GRASPEL is that the spectral embedding (or approximate effective-resistance) distances on the graph will encode the similarities between the original input data points. By interleaving the latest high-performance nearly-linear
time spectral methods, ultrasparse yet spectrally-robust graphs can be learned by identifying and including the most spectrally-critical edges into the graph. Compared with prior state-of-the-art graph learning approaches, GRASPEL is more scalable and allows substantially improving computing efficiency and solution quality of a variety of data mining and
machine learning applications, such as manifold learning, spectral clustering (SC), and dimensionality reduction.
ProtoAttend: Attention-Based Prototypical Learning
Authors: Sercan O. Arik, Tomas Pfister

We propose a novel inherently interpretable machine learning method that bases decisions on few relevant examples that we call prototypes. Our method, ProtoAttend, can be integrated into a wide range of neural network architectures including pre-trained models. It utilizes an attention mechanism that relates the encoded representations to samples in order to determine prototypes. The resulting model outperforms state of the art in three high impact problems without sacrificing accuracy of the original model: (1) it enables high-quality interpretability that outputs samples most relevant to the decision-making (i.e. a sample-based interpretability method); (2) it achieves state of the art confidence estimation by quantifying the mismatch across prototype labels; and (3) it obtains state of the art in distribution mismatch detection. All this can be achieved with minimal additional test time and a practically viable training time computational cost.
Loss-aware Weight Quantization of Deep Networks
Authors: Lu Hou, James T. Kwok

The huge size of deep networks hinders their use in small computing devices. In this paper, we consider compressing the network by weight quantization. We extend a recently proposed loss-aware weight binarization scheme to ternarization, with possibly different scaling parameters for the positive and negative weights, and m-bit (where m > 2) quantization. Experiments on feedforward and recurrent neural networks show that the proposed scheme outperforms state-of-the-art weight quantization algorithms, and is as accurate (or even more accurate) than the full-precision network.