nils-herrmann/clean_scirepeval huggingface dataset:
TWO-STEP UNCERTAINTY NETWORK FOR TASKDRIVEN SENSOR PLACEMENT
Authors: Yangyang Sun, Yang Zhang, Hassan Foroosh, Shuo Pang

Optimal sensor placement achieves the minimal cost of sensors while obtaining the prespecified objectives. In this work, we propose a framework for sensor placement to maximize the information gain called Two-step Uncertainty Network(TUN). TUN encodes an arbitrary number of measurements, models the conditional distribution of high dimensional data, and estimates the task-specific information gain at un-observed locations. Experiments on the synthetic data show that TUN outperforms the random sampling strategy and Gaussian Process-based strategy consistently.
Neural Spectral Marked Point Processes
Authors: Shixiang Zhu, Haoyun Wang, Zheng Dong, Xiuyuan Cheng, Yao Xie

Self- and mutually-exciting point processes are popular models in machine learning and statistics for dependent discrete event data. To date, most existing models assume stationary kernels (including the classical Hawkes processes) and simple parametric models. Modern applications with complex event data require more general point process models that can incorporate contextual information of the events, called marks, besides the temporal and location information. Moreover, such applications often require non-stationary models to capture more complex spatio-temporal dependence. To tackle these challenges, a key question is to devise a versatile influence kernel in the point process model. In this paper, we introduce a novel and general neural network-based non-stationary influence kernel with high expressiveness for handling complex discrete events data while providing theoretical performance guarantees. We demonstrate the superior performance of our proposed method compared with the state-of-the-art on synthetic and real data.
FedBE: Making Bayesian Model Ensemble Applicable to Federated Learning
Authors: Hong-You Chen, Wei-Lun Chao

Federated learning aims to collaboratively train a strong global model by accessing users' locally trained models but not their own data. A crucial step is therefore to aggregate local models into a global model, which has been shown challenging when users have non-i.i.d. data. In this paper, we propose a novel aggregation algorithm named FedBE, which takes a Bayesian inference perspective by sampling higher-quality global models and combining them via Bayesian model Ensemble, leading to much robust aggregation. We show that an effective model distribution can be constructed by simply fitting a Gaussian or Dirichlet distribution to the local models. Our empirical studies validate FedBE's superior performance, especially when users' data are not i.i.d. and when the neural networks go deeper. Moreover, FedBE is compatible with recent efforts in regularizing users' model training, making it an easily applicable module: you only need to replace the aggregation method but leave other parts of your federated learning algorithm intact.
Large Associative Memory Problem in Neurobiology and Machine Learning
Authors: Dmitry Krotov, John J. Hopfield

Dense Associative Memories or modern Hopfield networks permit storage and reliable  retrieval of an exponentially large (in the dimension of feature space) number of memories. At the same time, their naive implementation is non-biological, since it seemingly requires the existence of many-body synaptic junctions between the neurons.  We show that these models are effective descriptions of a more microscopic (written in terms of biological degrees of freedom) theory that has additional (hidden) neurons and only requires two-body interactions between them. For this reason our proposed microscopic theory is a valid model of large associative memory with a degree of biological plausibility. The dynamics of our network and its reduced dimensional equivalent both minimize energy (Lyapunov) functions. When certain dynamical variables (hidden neurons) are integrated out from our microscopic theory, one can recover many of the models that were previously discussed in the literature, e.g. the model presented in "Hopfield Networks is All You Need" paper. We also provide an alternative derivation of the energy function and the update rule proposed in the aforementioned paper and clarify the relationships between various models of this class.
Improved Uncertainty Post-Calibration via Rank Preserving Transforms
Authors: Yu Bai, Tengyu Ma, Huan Wang, Caiming Xiong

Modern machine learning models with high accuracy often exhibit poor uncertainty calibration: the output probabilities of the model do not reflect its accuracy, and tend to be over-confident. Existing post-calibration methods such as temperature scaling recalibrate a trained model using rather simple calibrators with one or few parameters, which can have a rather limited capacity. In this paper, we propose Neural Rank Preserving Transforms (NRPT), a new post-calibration method that adjusts the output probabilities of a trained classifier using a calibrator of higher capacity, while maintaining its prediction accuracy. NRPT learns a calibrator that preserves the rank of the probabilities through general monotonic transforms, individualizes to the original input, and allows learning with any loss function that encourages calibration. We show experimentally that NRPT improves the expected calibration error (ECE) significantly over existing post-calibration methods such as (local) temperature scaling on large-scale image and text classification tasks. The performance of NRPT can further match ensemble methods such as deep ensembles, while being much more parameter-efficient. We further demonstrate the improved calibration ability of NRPT beyond the ECE metric, such as accuracy among top-confidence predictions, as well as optimizing the tradeoff between calibration and sharpness.
Topology Adaptive Graph Convolutional  Networks
Authors: Jian Du, Shanghang Zhang, Guanhang Wu, José M. F. Moura, Soummya Kar

Convolution acts as a local feature extractor in convolutional neural networks (CNNs). However, the convolution operation is not applicable when the input data is supported on an irregular graph such as with social networks, citation networks, or knowledge graphs. This paper proposes the topology adaptive graph convolutional network (TAGCN), a novel graph convolutional network that generalizes CNN architectures to graph-structured data and provides a systematic way to design a set of fixed-size learnable filters to perform convolutions on graphs. The topologies of these filters are adaptive to the topology of the graph when they scan the graph to perform convolution, replacing the square filter for the grid-structured data in traditional CNNs. The outputs are the weighted sum of these filters’ outputs, extraction of both vertex features and strength of correlation between vertices. It
can be used with both directed and undirected graphs. The proposed TAGCN not only inherits the properties of convolutions in CNN for grid-structured data, but it is also consistent with convolution as defined in graph signal processing. Further, as no approximation to the convolution is needed, TAGCN exhibits better performance than existing graph-convolution-approximation methods on a number
of data sets. As only the polynomials of degree two of the adjacency matrix are used, TAGCN is also computationally simpler than other recent methods.
Recurrent Neural Networks for Multivariate Time Series with Missing Values
Authors: Zhengping Che, Sanjay Purushotham, Kyunghyun Cho, David Sontag, Yan Liu

Multivariate time series data in practical applications, such as health care, geoscience, and biology, are characterized by a variety of missing values. In time series prediction and other related tasks, it has been noted that missing values and their missing patterns are often correlated with the target labels, a.k.a., informative missingness. There is very limited work on exploiting the missing patterns for effective imputation and improving prediction performance. In this paper, we develop novel deep learning models, namely GRU-D, as one of the early attempts. GRU-D is based on Gated Recurrent Units (GRU), a state-of-the-art recurrent neural network. It takes two representations of missing patterns, i.e., masking and time interval, and effectively incorporates them into a deep model architecture so that it not only captures the long-term temporal dependencies in time series, but also utilizes the missing patterns to achieve better prediction results. Experiments of time series classification tasks on real-world clinical datasets (MIMIC-III, PhysioNet) and synthetic datasets demonstrate that our models achieve state-of-the-art performance and provides useful insights for better understanding and utilization of missing values in time series analysis.
Bootstrapped Meta-Learning
Authors: Sebastian Flennerhag, Yannick Schroecker, Tom Zahavy, Hado van Hasselt, David Silver, Satinder Singh

Meta-learning empowers artificial intelligence to increase its efficiency by learning how to learn. Unlocking this potential involves overcoming a challenging meta-optimisation problem. We propose an algorithm that tackles this problem by letting the meta-learner teach itself. The algorithm first bootstraps a target from the meta-learner, then optimises the meta-learner by minimising the distance to that target under a chosen (pseudo-)metric. Focusing on meta-learning with gradients, we establish conditions that guarantee performance improvements and show that metric can be used to control meta-optimisation. Meanwhile, the bootstrapping mechanism can extend the effective meta-learning horizon without requiring backpropagation through all updates. We achieve a new state-of-the art for model-free agents on the Atari ALE benchmark and demonstrate that it yields both performance and efficiency gains in multi-task meta-learning. Finally, we explore how bootstrapping opens up new possibilities and find that it can meta-learn efficient exploration in an epsilon-greedy Q-learning agent - without backpropagating through the update rule.
Data Augmentation in Training CNNs: Injecting Noise to Images
Authors: Murtaza Eren Akbiyik

Noise injection is a fundamental tool for data augmentation, and yet there is no widely accepted procedure to incorporate it with learning frameworks. This study analyzes the effects of adding or applying different noise models of varying magnitudes to Convolutional Neural Network (CNN) architectures. Noise models that are distributed with different density functions are given common magnitude levels via Structural Similarity (SSIM) metric in order to create an appropriate ground for comparison. The basic results are conforming with the most of the common notions in machine learning, and also introduces some novel heuristics and recommendations on noise injection. The new approaches will provide better understanding on optimal learning procedures for image classification.
DCN+: Mixed Objective And Deep Residual Coattention for Question Answering
Authors: Caiming Xiong, Victor Zhong, Richard Socher

Traditional models for question answering optimize using cross entropy loss, which encourages exact answers at the cost of penalizing nearby or overlapping answers that are sometimes equally accurate. We propose a mixed objective that combines cross entropy loss with self-critical policy learning, using rewards derived from word overlap to solve the misalignment between evaluation metric and optimization objective. In addition to the mixed objective, we introduce a deep residual coattention encoder that is inspired by recent work in deep self-attention and residual networks. Our proposals improve model performance across question types and input lengths, especially for long questions that requires the ability to capture long-term dependencies. On the Stanford Question Answering Dataset, our model achieves state of the art results with 75.1% exact match accuracy and 83.1% F1, while the ensemble obtains 78.9% exact match accuracy and 86.0% F1.
Detecting Misclassification Errors in Neural Networks with a Gaussian Process Model
Authors: Xin Qiu, Risto Miikkulainen

As neural network classifiers are deployed in real-world applications, it is crucial that their predictions are not just accurate, but trustworthy as well. One practical solution is to assign confidence scores to each prediction, then filter out low-confidence predictions. However, existing confidence metrics are not yet sufficiently reliable for this role. This paper presents a new framework that produces more reliable confidence scores for detecting misclassification errors. This framework, RED, calibrates the classifier's inherent confidence indicators and estimates uncertainty of the calibrated confidence scores using Gaussian Processes. Empirical comparisons with other confidence estimation methods on 125 UCI datasets demonstrate that this approach is effective. An experiment on a vision task with a large deep learning architecture further confirms that the method can scale up, and a case study involving out-of-distribution and adversarial samples shows potential of the proposed method to improve robustness of neural network classifiers more broadly in the future.
Automatic prior selection for meta Bayesian optimization with a case study on tuning deep neural network optimizers
Authors: Zi Wang, George Edward Dahl, Kevin Swersky, Chansoo Lee, Zelda E Mariet, Zachary Nado, Justin Gilmer, Jasper Snoek, Zoubin Ghahramani

The performance of deep neural networks can be highly sensitive to the choice of a variety of meta-parameters, such as optimizer parameters and model hyperparameters. Tuning these well, however, often requires extensive and costly experimentation. Bayesian optimization (BO) is a principled approach to solve such expensive hyperparameter tuning problems efficiently. Key to the performance of BO is specifying and refining a distribution over functions, which is used to reason about the optima of the underlying function being optimized. In this work, we consider the scenario where we have data from similar functions that allows us to specify a tighter distribution a priori. Specifically, we focus on the common but potentially costly task of tuning optimizer parameters for training neural networks. Building on the meta BO method from Wang et al. (2018), we develop practical improvements that (a) boost its performance by leveraging tuning results on multiple tasks without requiring observations for the same meta-parameter points across all tasks, and (b) retain its regret bound for a special case of our method. As a result, we provide a coherent BO solution for iterative optimization of continuous optimizer parameters. To verify our approach in realistic model training setups, we collected a large multi-task hyperparameter tuning dataset by training tens of thousands of configurations of near-state-of-the-art models on popular image and text datasets, as well as a protein sequence dataset. Our results show that on average, our method is able to locate good hyperparameters at least 3 times more efficiently than the best competing methods.
Regularizing Black-box Models for Improved Interpretability
Authors: Gregory Plumb, Maruan Al-Shedivat, Eric Xing, Ameet Talwalkar

Most of the work on interpretable machine learning has focused on designingeither inherently interpretable models, which typically trade-off accuracyfor interpretability, or post-hoc explanation systems, which lack guarantees about their explanation quality.  We explore an alternative to theseapproaches by directly regularizing a black-box model for interpretabilityat training time.  Our approach explicitly connects three key aspects ofinterpretable machine learning:  (i) the model’s internal interpretability, (ii)the explanation system used at test time, and (iii) the metrics that measureexplanation quality.  Our regularization results in substantial improvementin terms of the explanation fidelity and stability metrics across a range ofdatasets and black-box explanation systems while slightly improving accuracy.  Finally, we justify theoretically that the benefits of our regularizationgeneralize to unseen points.
First-Order Optimization Inspired from Finite-Time Convergent Flows
Authors: Siqi Zhang, Mouhacine Benosman, Orlando Romero, Anoop Cherian

In this paper, we investigate the performance of two first-order optimization algorithms, obtained from forward Euler discretization of finite-time optimization flows. These flows are the rescaled-gradient flow (RGF) and the signed-gradient flow (SGF), and consist of non-Lipscthiz or discontinuous dynamical systems that converge locally in finite time to the minima of gradient-dominated functions. We propose an Euler discretization for these first-order finite-time flows, and provide convergence guarantees, in the deterministic and the stochastic setting. We then apply the proposed algorithms to academic examples, as well as deep neural networks training, where we empirically test their performances on the SVHN dataset. Our results show that our schemes demonstrate faster convergences against standard optimization alternatives.
Training BatchNorm and Only BatchNorm: On the Expressive Power of Random Features in CNNs
Authors: Jonathan Frankle, David J. Schwab, Ari S. Morcos

A wide variety of deep learning techniques from style transfer to multitask learning rely on training affine transformations of features. Most prominent among these is the popular feature normalization technique BatchNorm, which normalizes activations and then subsequently applies a learned affine transform. In this paper, we aim to understand the role and expressive power of affine parameters used to transform features in this way. To isolate the contribution of these parameters from that of the learned features they transform, we investigate the performance achieved when training only these parameters in BatchNorm and freezing all weights at their random initializations. Doing so leads to surprisingly high performance considering the significant limitations that this style of training imposes. For example, sufficiently deep ResNets reach 82% (CIFAR-10) and 32% (ImageNet, top-5) accuracy in this configuration, far higher than when training an equivalent number of randomly chosen parameters elsewhere in the network. BatchNorm achieves this performance in part by naturally learning to disable around a third of the random features. Not only do these results highlight the expressive power of affine parameters in deep learning, but - in a broader sense - they characterize the expressive power of neural networks constructed simply by shifting and rescaling random features.
CAPACITY-LIMITED REINFORCEMENT LEARNING: APPLICATIONS IN DEEP ACTOR-CRITIC METHODS FOR CONTINUOUS CONTROL
Authors: Tyler James Malloy, Matthew Riemer, Miao Liu, Tim Klinger, Gerald Tesauro, Chris R. Sims

Biological and artificial agents must learn to act optimally in spite of a limited capacity for processing, storing, and attending to information. We formalize this type of bounded rationality in terms of an information-theoretic constraint on the complexity of policies that agents seek to learn. We present the Capacity-Limited Reinforcement Learning (CLRL) objective which defines an optimal policy subject to an information capacity constraint. This objective is optimized by drawing from methods used in rate distortion theory and information theory, and applied to the reinforcement learning setting. Using this objective we implement a novel Capacity-Limited Actor-Critic (CLAC) algorithm and situate it within a broader family of RL algorithms such as the Soft Actor Critic (SAC) and discuss their similarities and differences. Our experiments show that compared to alternative approaches, CLAC offers improvements in generalization between training and modified test environments. This is achieved in the CLAC model while displaying high sample efficiency and minimal requirements for hyper-parameter tuning.
Learning Latent State Spaces for Planning through Reward Prediction
Authors: Aaron Havens, Yi Ouyang, Prabhat Nagarajan, Yasuhiro Fujita

Model-based reinforcement learning methods typically learn models for high-dimensional state spaces by aiming to reconstruct and predict the original observations. However, drawing inspiration from model-free reinforcement learning, we propose learning a latent dynamics model directly from rewards. In this work, we introduce a model-based planning framework which learns a latent reward prediction model and then plan in the latent state-space. The latent representation is learned exclusively from multi-step reward prediction which we show to be the only necessary information for successful planning.  With this framework, we are able to benefit from the concise model-free representation, while still enjoying the data-efficiency of model-based algorithms.  We demonstrate our framework in multi-pendulum and multi-cheetah environments where several pendulums or cheetahs are shown to the agent but only one of them produces rewards. In these environments, it is important for the agent to construct a concise latent representation to filter out irrelevant observations. We find that our method can successfully learn an accurate latent reward prediction model in the presence of the irrelevant information while existing model-based methods fail. Planning in the learned latent state-space shows strong performance and high sample efficiency over model-free and model-based baselines.
Deep probabilistic subsampling for task-adaptive compressed sensing
Authors: Iris A.M. Huijben, Bastiaan S. Veeling, Ruud J.G. van Sloun

The field of deep learning is commonly concerned with optimizing predictive models using large pre-acquired datasets of densely sampled datapoints or signals. In this work, we demonstrate that the deep learning paradigm can be extended to incorporate a subsampling scheme that is jointly optimized under a desired minimum sample rate. We present Deep Probabilistic Subsampling (DPS), a widely applicable framework for task-adaptive compressed sensing that enables end-to end optimization of an optimal subset of signal samples with a subsequent model that performs a required task. We demonstrate strong performance on reconstruction and classification tasks of a toy dataset, MNIST, and CIFAR10 under stringent subsampling rates in both the pixel and the spatial frequency domain. Due to the task-agnostic nature of the framework, DPS is directly applicable to all real-world domains that benefit from sample rate reduction.
Compositional Visual Generation with Energy Based Models
Authors: Yilun Du, Shuang Li, Igor Mordatch

Humans are able to both learn quickly and rapidly adapt their knowledge. One major component is the ability to incrementally combine many simple concepts to accelerates the learning process. We show that energy based models are a promising class of models towards exhibiting these properties by directly combining probability distributions. This allows us to combine an arbitrary number of different distributions in a globally coherent manner. We show this compositionality property allows us to define three basic operators, logical conjunction, disjunction, and negation, on different concepts to generate plausible naturalistic images. Furthermore, by applying these abilities, we show that we are able to extrapolate concept combinations, continually combine previously learned concepts, and infer concept properties in a compositional manner.