pwc-archive/papers-with-abstracts huggingface dataset:
Multi-label classification: do Hamming loss and subset accuracy really conflict with each other?
Authors: Guoqiang Wu, Jun Zhu
Date: 2020-11-16 00:00:00
Proceeding: NeurIPS 2020 12
Tasks: General Classification, Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION

Various evaluation measures have been developed for multi-label classification, including Hamming Loss (HL), Subset Accuracy (SA) and Ranking Loss (RL). However, there is a gap between empirical results and the existing theories: 1) an algorithm often empirically performs well on some measure(s) while poorly on others, while a formal theoretical analysis is lacking; and 2) in small label space cases, the algorithms optimizing HL often have comparable or even better performance on the SA measure than those optimizing SA directly, while existing theoretical results show that SA and HL are conflicting measures. This paper provides an attempt to fill up this gap by analyzing the learning guarantees of the corresponding learning algorithms on both SA and HL measures. We show that when a learning algorithm optimizes HL with its surrogate loss, it enjoys an error bound for the HL measure independent of $c$ (the number of labels), while the bound for the SA measure depends on at most $O(c)$. On the other hand, when directly optimizing SA with its surrogate loss, it has learning guarantees that depend on $O(\sqrt{c})$ for both HL and SA measures. This explains the observation that when the label space is not large, optimizing HL with its surrogate loss can have promising performance for SA. We further show that our techniques are applicable to analyze the learning guarantees of algorithms on other measures, such as RL. Finally, the theoretical analyses are supported by experimental results.
On the equivalence of molecular graph convolution and molecular wave function with poor basis set
Authors: Masashi Tsubaki, Teruyasu Mizoguchi
Date: 2020-11-16 00:00:00
Proceeding: NeurIPS 2020 12

In this study, we demonstrate that the linear combination of atomic orbitals (LCAO), an approximation of quantum physics introduced by Pauling and Lennard-Jones in the 1920s, corresponds to graph convolutional networks (GCNs) for molecules. However, GCNs involve unnecessary nonlinearity and deep architecture. We also verify that molecular GCNs are based on a poor basis function set compared with the standard one used in theoretical calculations or quantum chemical simulations. From these observations, we describe the quantum deep field (QDF), a machine learning (ML) model based on an underlying quantum physics, in particular the density functional theory (DFT). We believe that the QDF model can be easily understood because it can be regarded as a single linear layer GCN. Moreover, it uses two vanilla feedforward neural networks to learn an energy functional and a Hohenberg--Kohn map that have nonlinearities inherent in quantum physics and the DFT. For molecular energy prediction tasks, we demonstrated the viability of an ``extrapolation,'' in which we trained a QDF model with small molecules, tested it with large molecules, and achieved high extrapolation performance. This will lead to reliable and practical applications for discovering effective materials. The implementation is available at https://github.com/masashitsubaki/QuantumDeepField_molecule.
RL-QN: A Reinforcement Learning Framework for Optimal Control of Queueing Systems
Authors: Bai Liu, Qiaomin Xie, Eytan Modiano
Date: 2020-11-14 00:00:00
Tasks: Model-based Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

With the rapid advance of information technology, network systems have become increasingly complex and hence the underlying system dynamics are often unknown or difficult to characterize. Finding a good network control policy is of significant importance to achieve desirable network performance (e.g., high throughput or low delay). In this work, we consider using model-based reinforcement learning (RL) to learn the optimal control policy for queueing networks so that the average job delay (or equivalently the average queue backlog) is minimized. Traditional approaches in RL, however, cannot handle the unbounded state spaces of the network control problem. To overcome this difficulty, we propose a new algorithm, called Reinforcement Learning for Queueing Networks (RL-QN), which applies model-based RL methods over a finite subset of the state space, while applying a known stabilizing policy for the rest of the states. We establish that the average queue backlog under RL-QN with an appropriately constructed subset can be arbitrarily close to the optimal result. We evaluate RL-QN in dynamic server allocation, routing and switching problems. Simulation results show that RL-QN minimizes the average queue backlog effectively.
Deep Interpretable Classification and Weakly-Supervised Segmentation of Histology Images via Max-Min Uncertainty
Authors: Soufiane Belharbi, Jérôme Rony, Jose Dolz, Ismail Ben Ayed, Luke McCaffrey, Eric Granger
Date: 2020-11-14 00:00:00
Tasks: General Classification, Weakly-supervised Learning, Weakly supervised segmentation

Weakly-supervised learning (WSL) has recently triggered substantial interest as it mitigates the lack of pixel-wise annotations. Given global image labels, WSL methods yield pixel-level predictions (segmentations), which enable to interpret class predictions. Despite their recent success, mostly with natural images, such methods can face important challenges when the foreground and background regions have similar visual cues, yielding high false-positive rates in segmentations, as is the case in challenging histology images. WSL training is commonly driven by standard classification losses, which implicitly maximize model confidence, and locate the discriminative regions linked to classification decisions. Therefore, they lack mechanisms for modeling explicitly non-discriminative regions and reducing false-positive rates. We propose novel regularization terms, which enable the model to seek both non-discriminative and discriminative regions, while discouraging unbalanced segmentations. We introduce high uncertainty as a criterion to localize non-discriminative regions that do not affect classifier decision, and describe it with original Kullback-Leibler (KL) divergence losses evaluating the deviation of posterior predictions from the uniform distribution. Our KL terms encourage high uncertainty of the model when the latter inputs the latent non-discriminative regions. Our loss integrates: (i) a cross-entropy seeking a foreground, where model confidence about class prediction is high; (ii) a KL regularizer seeking a background, where model uncertainty is high; and (iii) log-barrier terms discouraging unbalanced segmentations. Comprehensive experiments and ablation studies over the public GlaS colon cancer data and a Camelyon16 patch-based benchmark for breast cancer show substantial improvements over state-of-the-art WSL methods, and confirm the effect of our new regularizers.
pymgrid: An Open-Source Python Microgrid Simulator for Applied Artificial Intelligence Research
Authors: Gonzague Henri, Tanguy Levent, Avishai Halev, REDA ALAMI, Philippe Cordier
Date: 2020-11-11 00:00:00
Tasks: Reinforcement Learning (RL)

Microgrids, self contained electrical grids that are capable of disconnecting from the main grid, hold potential in both tackling climate change mitigation via reducing CO2 emissions and adaptation by increasing infrastructure resiliency. Due to their distributed nature, microgrids are often idiosyncratic; as a result, control of these systems is nontrivial. While microgrid simulators exist, many are limited in scope and in the variety of microgrids they can simulate. We propose pymgrid, an open-source Python package to generate and simulate a large number of microgrids, and the first open-source tool that can generate more than 600 different microgrids. pymgrid abstracts most of the domain expertise, allowing users to focus on control algorithms. In particular, pymgrid is built to be a reinforcement learning (RL) platform, and includes the ability to model microgrids as Markov decision processes. pymgrid also introduces two pre-computed list of microgrids, intended to allow for research reproducibility in the microgrid setting.
Fast and Robust Cascade Model for Multiple Degradation Single Image Super-Resolution
Authors: Santiago López-Tapia, Nicolás Pérez de la Blanca
Date: 2020-11-16 00:00:00
Tasks: Deblurring, Image Super-Resolution, Super-Resolution

Single Image Super-Resolution (SISR) is one of the low-level computer vision problems that has received increased attention in the last few years. Current approaches are primarily based on harnessing the power of deep learning models and optimization techniques to reverse the degradation model. Owing to its hardness, isotropic blurring or Gaussians with small anisotropic deformations have been mainly considered. Here, we widen this scenario by including large non-Gaussian blurs that arise in real camera movements. Our approach leverages the degradation model and proposes a new formulation of the Convolutional Neural Network (CNN) cascade model, where each network sub-module is constrained to solve a specific degradation: deblurring or upsampling. A new densely connected CNN-architecture is proposed where the output of each sub-module is restricted using some external knowledge to focus it on its specific task. As far we know this use of domain-knowledge to module-level is a novelty in SISR. To fit the finest model, a final sub-module takes care of the residual errors propagated by the previous sub-modules. We check our model with three state of the art (SOTA) datasets in SISR and compare the results with the SOTA models. The results show that our model is the only one able to manage our wider set of deformations. Furthermore, our model overcomes all current SOTA methods for a standard set of deformations. In terms of computational load, our model also improves on the two closest competitors in terms of efficiency. Although the approach is non-blind and requires an estimation of the blur kernel, it shows robustness to blur kernel estimation errors, making it a good alternative to blind models.
A Long Horizon Planning Framework for Manipulating Rigid Pointcloud Objects
Authors: Anthony Simeonov, Yilun Du, Beomjoon Kim, Francois R. Hogan, Joshua Tenenbaum, Pulkit Agrawal, Alberto Rodriguez
Date: 2020-11-16 00:00:00
Tasks: Graph Attention, Motion Planning, Object, Task and Motion Planning

We present a framework for solving long-horizon planning problems involving manipulation of rigid objects that operates directly from a point-cloud observation, i.e. without prior object models. Our method plans in the space of object subgoals and frees the planner from reasoning about robot-object interaction dynamics by relying on a set of generalizable manipulation primitives. We show that for rigid bodies, this abstraction can be realized using low-level manipulation skills that maintain sticking contact with the object and represent subgoals as 3D transformations. To enable generalization to unseen objects and improve planning performance, we propose a novel way of representing subgoals for rigid-body manipulation and a graph-attention based neural network architecture for processing point-cloud inputs. We experimentally validate these choices using simulated and real-world experiments on the YuMi robot. Results demonstrate that our method can successfully manipulate new objects into target configurations requiring long-term planning. Overall, our framework realizes the best of the worlds of task-and-motion planning (TAMP) and learning-based approaches. Project website: https://anthonysimeonov.github.io/rpo-planning-framework/.
Policy design in experiments with unknown interference
Authors: Davide Viviano, Jess Rudder
Date: 2020-11-16 00:00:00
Tasks: Experimental Design, Two-sample testing

This paper studies experimental designs for estimation and inference on policies with spillover effects. Units are organized into a finite number of large clusters and interact in unknown ways within each cluster. First, we introduce a single-wave experiment that, by varying the randomization across cluster pairs, estimates the marginal effect of a change in treatment probabilities, taking spillover effects into account. Using the marginal effect, we propose a test for policy optimality. Second, we design a multiple-wave experiment to estimate welfare-maximizing treatment rules. We provide strong theoretical guarantees and an implementation in a large-scale field experiment.
Temporal Dynamic Model for Resting State fMRI Data: A Neural Ordinary Differential Equation approach
Authors: Zheyu Wen
Date: 2020-11-16 00:00:00
Tasks: Representation Learning

The objective of this paper is to provide a temporal dynamic model for resting state functional Magnetic Resonance Imaging (fMRI) trajectory to predict future brain images based on the given sequence. To this end, we came up with the model that takes advantage of representation learning and Neural Ordinary Differential Equation (Neural ODE) to compress the fMRI image data into latent representation and learn to predict the trajectory following differential equation. Latent space was analyzed by Gaussian Mixture Model. The learned fMRI trajectory embedding can be used to explain the variance of the trajectory and predict human traits for each subject. This method achieves average 0.5 spatial correlation for the whole predicted trajectory, and provide trained ODE parameter for further analysis.
Combining Self-Supervised and Supervised Learning with Noisy Labels
Authors: Yongqi Zhang, HUI ZHANG, Quanming Yao, Jun Wan
Date: 2020-11-16 00:00:00
Tasks: Learning with noisy labels, Representation Learning, Self-Supervised Learning

Since convolutional neural networks (CNNs) can easily overfit noisy labels, which are ubiquitous in visual classification tasks, it has been a great challenge to train CNNs against them robustly. Various methods have been proposed for this challenge. However, none of them pay attention to the difference between representation and classifier learning of CNNs. Thus, inspired by the observation that classifier is more robust to noisy labels while representation is much more fragile, and by the recent advances of self-supervised representation learning (SSRL) technologies, we design a new method, i.e., CS$^3$NL, to obtain representation by SSRL without labels and train the classifier directly with noisy labels. Extensive experiments are performed on both synthetic and real benchmark datasets. Results demonstrate that the proposed method can beat the state-of-the-art ones by a large margin, especially under a high noisy level.
Cinematic-L1 Video Stabilization with a Log-Homography Model
Authors: Arwen Bradley, Jason Klivington, Joseph Triscari, Rudolph van der Merwe
Date: 2020-11-16 00:00:00
Tasks: Video Stabilization

We present a method for stabilizing handheld video that simulates the camera motions cinematographers achieve with equipment like tripods, dollies, and Steadicams. We formulate a constrained convex optimization problem minimizing the $\ell_1$-norm of the first three derivatives of the stabilized motion. Our approach extends the work of Grundmann et al. [9] by solving with full homographies (rather than affinities) in order to correct perspective, preserving linearity by working in log-homography space. We also construct crop constraints that preserve field-of-view; model the problem as a quadratic (rather than linear) program to allow for an $\ell_2$ term encouraging fidelity to the original trajectory; and add constraints and objectives to reduce distortion. Furthermore, we propose new methods for handling salient objects via both inclusion constraints and centering objectives. Finally, we describe a windowing strategy to approximate the solution in linear time and bounded memory. Our method is computationally efficient, running at 300fps on an iPhone XS, and yields high-quality results, as we demonstrate with a collection of stabilized videos, quantitative and qualitative comparisons to [9] and other methods, and an ablation study.
Coarse-grained and emergent distributed parameter systems from data
Authors: Hassan Arbabi, Felix P. Kemeth, Tom Bertalan, Ioannis Kevrekidis
Date: 2020-11-16 00:00:00
Tasks: Variable Detection

We explore the derivation of distributed parameter system evolution laws (and in particular, partial differential operators and associated partial differential equations, PDEs) from spatiotemporal data. This is, of course, a classical identification problem; our focus here is on the use of manifold learning techniques (and, in particular, variations of Diffusion Maps) in conjunction with neural network learning algorithms that allow us to attempt this task when the dependent variables, and even the independent variables of the PDE are not known a priori and must be themselves derived from the data. The similarity measure used in Diffusion Maps for dependent coarse variable detection involves distances between local particle distribution observations; for independent variable detection we use distances between local short-time dynamics. We demonstrate each approach through an illustrative established PDE example. Such variable-free, emergent space identification algorithms connect naturally with equation-free multiscale computation tools.
The Influence of Domain-Based Preprocessing on Subject-Specific Clustering
Authors: Alexandra Gkolia, Nikhil Fernandes, Nicolas Pizzo, James Davenport, Akshar Nair
Date: 2020-11-16 00:00:00
Tasks: Clustering

The sudden change of moving the majority of teaching online at Universities due to the global Covid-19 pandemic has caused an increased amount of workload for academics. One of the contributing factors is answering a high volume of queries coming from students. As these queries are not limited to the synchronous time frame of a lecture, there is a high chance of many of them being related or even equivalent. One way to deal with this problem is to cluster these questions depending on their topic. In our previous work, we aimed to find an improved method of clustering that would give us a high efficiency, using a recurring LDA model. Our data set contained questions posted online from a Computer Science course at the University of Bath. A significant number of these questions contained code excerpts, which we found caused a problem in clustering, as certain terms were being considered as common words in the English language and not being recognised as specific code terms. To address this, we implemented tagging of these technical terms using Python, as part of preprocessing the data set. In this paper, we explore the realms of tagging data sets, focusing on identifying code excerpts and providing empirical results in order to justify our reasoning.
On the Marginal Benefit of Active Learning: Does Self-Supervision Eat Its Cake?
Authors: Yao-Chun Chan, Mingchen Li, Samet Oymak
Date: 2020-11-16 00:00:00
Tasks: Active Learning, Contrastive Learning, Data Augmentation

Active learning is the set of techniques for intelligently labeling large unlabeled datasets to reduce the labeling effort. In parallel, recent developments in self-supervised and semi-supervised learning (S4L) provide powerful techniques, based on data-augmentation, contrastive learning, and self-training, that enable superior utilization of unlabeled data which led to a significant reduction in required labeling in the standard machine learning benchmarks. A natural question is whether these paradigms can be unified to obtain superior results. To this aim, this paper provides a novel algorithmic framework integrating self-supervised pretraining, active learning, and consistency-regularized self-training. We conduct extensive experiments with our framework on CIFAR10 and CIFAR100 datasets. These experiments enable us to isolate and assess the benefits of individual components which are evaluated using state-of-the-art methods (e.g.~Core-Set, VAAL, simCLR, FixMatch). Our experiments reveal two key insights: (i) Self-supervised pre-training significantly improves semi-supervised learning, especially in the few-label regime, (ii) The benefit of active learning is undermined and subsumed by S4L techniques. Specifically, we fail to observe any additional benefit of state-of-the-art active learning algorithms when combined with state-of-the-art S4L techniques.
Learning from Task Descriptions
Authors: Orion Weller, Nicholas Lourie, Matt Gardner, Matthew E. Peters
Date: 2020-11-16 00:00:00
Proceeding: EMNLP 2020 11
Tasks: Systematic Generalization

Typically, machine learning systems solve new tasks by training on thousands of examples. In contrast, humans can solve new tasks by reading some instructions, with perhaps an example or two. To take a step toward closing this gap, we introduce a framework for developing NLP systems that solve new tasks after reading their descriptions, synthesizing prior work in this area. We instantiate this framework with a new English language dataset, ZEST, structured for task-oriented evaluation on unseen tasks. Formulating task descriptions as questions, we ensure each is general enough to apply to many possible inputs, thus comprehensively evaluating a model's ability to solve each task. Moreover, the dataset's structure tests specific types of systematic generalization. We find that the state-of-the-art T5 model achieves a score of 12% on ZEST, leaving a significant challenge for NLP researchers.
Stylized Neural Painting
Authors: Zhengxia Zou, Tianyang Shi, Shuang Qiu, Yi Yuan, Zhenwei Shi
Date: 2020-11-16 00:00:00
Proceeding: CVPR 2021 1
Tasks: Disentanglement, Image-to-Image Translation, Style Transfer, Translation

This paper proposes an image-to-painting translation method that generates vivid and realistic painting artworks with controllable styles. Different from previous image-to-image translation methods that formulate the translation as pixel-wise prediction, we deal with such an artistic creation process in a vectorized environment and produce a sequence of physically meaningful stroke parameters that can be further used for rendering. Since a typical vector render is not differentiable, we design a novel neural renderer which imitates the behavior of the vector renderer and then frame the stroke prediction as a parameter searching process that maximizes the similarity between the input and the rendering output. We explored the zero-gradient problem on parameter searching and propose to solve this problem from an optimal transportation perspective. We also show that previous neural renderers have a parameter coupling problem and we re-design the rendering network with a rasterization network and a shading network that better handles the disentanglement of shape and color. Experiments show that the paintings generated by our method have a high degree of fidelity in both global appearance and local textures. Our method can be also jointly optimized with neural style transfer that further transfers visual style from other images. Our code and animated results are available at \url{https://jiupinjia.github.io/neuralpainter/}.