OpenRaiser/Intern-Atlas huggingface dataset:
Quantifying Point-Prediction Uncertainty in Neural Networks via Residual Estimation with an I/O Kernel
Venue: Conference ICLR 2020
Year: 2020

Neural Networks (NNs) have been extensively used for a wide spectrum of real-world regression tasks, where the goal is to predict a numerical outcome such as revenue, effectiveness, or a quantitative result. In many such tasks, the point prediction is not enough: the uncertainty (i.e. risk or confidence) of that prediction must also be estimated. Standard NNs, which are most often used in such tasks, do not provide uncertainty information. Existing approaches address this issue by combining Bayesian models with NNs, but these models are hard to implement, more expensive to train, and usually do not predict as accurately as standard NNs. In this paper, a new framework (RIO) is developed that makes it possible to estimate uncertainty in any pretrained standard NN. The behavior of the NN is captured by modeling its prediction residuals with a Gaussian Process, whose kernel includes both the NN's input and its output. The framework is evaluated in twelve real-world datasets, where it is found to (1) provide reliable estimates of uncertainty, (2) reduce the error of the point predictions, and (3) scale well to large datasets. Given that RIO can be applied to any standard NN without modifications to model architecture or training pipeline, it provides an important ingredient for building real-world NN applications.
Rapid Learning or Feature Reuse? Towards Understanding the Effectiveness of MAML
Venue: Conference ICLR 2020
Year: 2020

An important research direction in machine learning has centered around developing meta-learning algorithms to tackle few-shot learning. An especially successful algorithm has been Model Agnostic Meta-Learning (MAML), a method that consists of two optimization loops, with the outer loop finding a meta-initialization, from which the inner loop can efficiently learn new tasks. Despite MAML's popularity, a fundamental open question remains -- is the effectiveness of MAML due to the meta-initialization being primed for rapid learning (large, efficient changes in the representations) or due to feature reuse, with the meta initialization already containing high quality features? We investigate this question, via ablation studies and analysis of the latent representations, finding that feature reuse is the dominant factor. This leads to the ANIL (Almost No Inner Loop) algorithm, a simplification of MAML where we remove the inner loop for all but the (task-specific) head of a MAML-trained network. ANIL matches MAML's performance on benchmark few-shot image classification and RL and offers computational improvements over MAML. We further study the precise contributions of the head and body of the network, showing that performance on the test tasks is entirely determined by the quality of the learned features, and we can remove even the head of the network (the NIL algorithm). We conclude with a discussion of the rapid learning vs feature reuse question for meta-learning algorithms more broadly.
Optimistic Exploration even with a Pessimistic Initialisation
Venue: Conference ICLR 2020
Year: 2020

Optimistic initialisation is an effective strategy for efficient exploration in reinforcement learning (RL). In the tabular case, all provably efficient model-free algorithms rely on it. However, model-free deep RL algorithms do not use optimistic initialisation despite taking inspiration from these provably efficient tabular algorithms. In particular, in scenarios with only positive rewards, Q-values are initialised at their lowest possible values due to commonly used network initialisation schemes, a pessimistic initialisation. Merely initialising the network to output optimistic Q-values is not enough, since we cannot ensure that they remain optimistic for novel state-action pairs, which is crucial for exploration. We propose a simple count-based augmentation to pessimistically initialised Q-values that separates the source of optimism from the neural network. We show that this scheme is provably efficient in the tabular setting and extend it to the deep RL setting. Our algorithm, Optimistic Pessimistically Initialised Q-Learning (OPIQ), augments the Q-value estimates of a DQN-based agent with count-derived bonuses to ensure optimism during both action selection and bootstrapping. We show that OPIQ outperforms non-optimistic DQN variants that utilise a pseudocount-based intrinsic motivation in hard exploration tasks, and that it predicts optimistic estimates for novel state-action pairs.
Intrinsically Motivated Discovery of Diverse Patterns in Self-Organizing Systems
Venue: Conference ICLR 2020
Year: 2020

In many complex dynamical systems, artificial or natural, one can observe self-organization of patterns emerging from local rules. Cellular automata, like the Game of Life (GOL), have been widely used as abstract models enabling the study of various aspects of self-organization and morphogenesis, such as the emergence of spatially localized patterns. However, findings of self-organized patterns in such models have so far relied on manual tuning of parameters and initial states, and on the human eye to identify interesting patterns. In this paper, we formulate the problem of automated discovery of diverse self-organized patterns in such high-dimensional complex dynamical systems, as well as a framework for experimentation and evaluation. Using a continuous GOL as a testbed, we show that recent intrinsically-motivated machine learning algorithms (POP-IMGEPs), initially developed for learning of inverse models in robotics, can be transposed and used in this novel application area. These algorithms combine intrinsically-motivated goal exploration and unsupervised learning of goal space representations. Goal space representations describe the interesting features of patterns for which diverse variations should be discovered. In particular, we compare various approaches to define and learn goal space representations from the perspective of discovering diverse spatially localized patterns. Moreover, we introduce an extension of a state-of-the-art POP-IMGEP algorithm which incrementally learns a goal representation using a deep auto-encoder, and the use of CPPN primitives for generating initialization parameters. We show that it is more efficient than several baselines and equally efficient as a system pre-trained on a hand-made database of patterns identified by human experts.
Compositional languages emerge in a neural iterated learning model
Venue: Conference ICLR 2020
Year: 2020

The principle of compositionality, which enables natural language to represent complex concepts via a structured combination of simpler ones, allows us to convey an open-ended set of messages using a limited vocabulary. If compositionality is indeed a natural property of language, we may expect it to appear in communication protocols that are created by neural agents in language games. In this paper, we propose an effective neural iterated learning (NIL) algorithm that, when applied to interacting neural agents, facilitates the emergence of a more structured type of language. Indeed, these languages provide learning speed advantages to neural agents during training, which can be incrementally amplified via NIL. We provide a probabilistic model of NIL and an explanation of why the advantage of compositional language exist. Our experiments confirm our analysis, and also demonstrate that the emerged languages largely improve the generalizing power of the neural agent communication.
Query2box: Reasoning over Knowledge Graphs in Vector Space Using Box Embeddings
Venue: Conference ICLR 2020
Year: 2020

Answering complex logical queries on large-scale incomplete knowledge graphs (KGs) is a fundamental yet challenging task. Recently, a promising approach to this problem has been to embed KG entities as well as the query into a vector space such that entities that answer the query are embedded close to the query. However, prior work models queries as single points in the vector space, which is problematic because a complex query represents a potentially large set of its answer entities, but it is unclear how such a set can be represented as a single point. Furthermore, prior work can only handle queries that use conjunctions ($\wedge$) and existential quantifiers ($\exists$). Handling queries with logical disjunctions ($\vee$) remains an open problem. Here we propose query2box, an embedding-based framework for reasoning over arbitrary queries with $\wedge$, $\vee$, and $\exists$ operators in massive and incomplete KGs. Our main insight is that queries can be embedded as boxes (i.e., hyper-rectangles), where a set of points inside the box corresponds to a set of answer entities of the query. We show that conjunctions can be naturally represented as intersections of boxes and also prove a negative result that handling disjunctions would require embedding with dimension proportional to the number of KG entities. However, we show that by transforming queries into a Disjunctive Normal Form, query2box is capable of handling arbitrary logical queries with $\wedge$, $\vee$, $\exists$ in a scalable manner. We demonstrate the effectiveness of query2box on three large KGs and show that query2box achieves up to 25% relative improvement over the state of the art.
Comparing Rewinding and Fine-tuning in Neural Network Pruning
Venue: Conference ICLR 2020
Year: 2020

Many neural network pruning algorithms proceed in three steps: train the network to completion, remove unwanted structure to compress the network, and retrain the remaining structure to recover lost accuracy. The standard retraining technique, fine-tuning, trains the unpruned weights from their final trained values using a small fixed learning rate. In this paper, we compare fine-tuning to alternative retraining techniques. Weight rewinding (as proposed by Frankle et al., (2019)), rewinds unpruned weights to their values from earlier in training and retrains them from there using the original training schedule. Learning rate rewinding (which we propose) trains the unpruned weights from their final values using the same learning rate schedule as weight rewinding. Both rewinding techniques outperform fine-tuning, forming the basis of a network-agnostic pruning algorithm that matches the accuracy and compression ratios of several more network-specific state-of-the-art techniques.
A Target-Agnostic Attack on Deep Models: Exploiting Security Vulnerabilities of Transfer Learning
Venue: Conference ICLR 2020
Year: 2020

Due to insufficient training data and the high computational cost to train a deep neural network from scratch, transfer learning has been extensively used in many deep-neural-network-based applications. A commonly used transfer learning approach involves taking a part of a pre-trained model, adding a few layers at the end, and re-training the new layers with a small dataset. This approach, while efficient and widely used, imposes a security vulnerability because the pre-trained model used in transfer learning is usually publicly available, including to potential attackers. In this paper, we show that without any additional knowledge other than the pre-trained model, an attacker can launch an effective and efficient brute force attack that can craft instances of input to trigger each target class with high confidence. We assume that the attacker has no access to any target-specific information, including samples from target classes, re-trained model, and probabilities assigned by Softmax to each class, and thus making the attack target-agnostic. These assumptions render all previous attack models inapplicable, to the best of our knowledge. To evaluate the proposed attack, we perform a set of experiments on face recognition and speech recognition tasks and show the effectiveness of the attack. Our work reveals a fundamental security weakness of the Softmax layer when used in transfer learning settings.
Co-Attentive Equivariant Neural Networks: Focusing Equivariance On Transformations Co-Occurring in Data
Venue: Conference ICLR 2020
Year: 2020

Equivariance is a nice property to have as it produces much more parameter efficient neural architectures and preserves the structure of the input through the feature mapping. Even though some combinations of transformations might never appear (e.g. an upright face with a horizontal nose), current equivariant architectures consider the set of all possible transformations in a transformation group when learning feature representations. Contrarily, the human visual system is able to attend to the set of relevant transformations occurring in the environment and utilizes this information to assist and improve object recognition. Based on this observation, we modify conventional equivariant feature mappings such that they are able to attend to the set of co-occurring transformations in data and generalize this notion to act on groups consisting of multiple symmetries. We show that our proposed co-attentive equivariant neural networks consistently outperform conventional rotation equivariant and rotation & reflection equivariant neural networks on rotated MNIST and CIFAR-10.
DropEdge: Towards Deep Graph Convolutional Networks on Node Classification
Venue: Conference ICLR 2020
Year: 2020

\emph{Over-fitting} and \emph{over-smoothing} are two main obstacles of developing deep Graph Convolutional Networks (GCNs) for node classification. In particular, over-fitting weakens the generalization ability on small dataset, while over-smoothing impedes model training by isolating output representations from the input features with the increase in network depth. This paper proposes DropEdge, a novel and flexible technique to alleviate both issues. At its core, DropEdge randomly removes a certain number of edges from the input graph at each training epoch, acting like a data augmenter and also a message passing reducer. Furthermore, we theoretically demonstrate that DropEdge either reduces the convergence speed of over-smoothing or relieves the information loss caused by it. More importantly, our DropEdge is a general skill that can be equipped with many other backbone models (e.g. GCN, ResGCN, GraphSAGE, and JKNet) for enhanced performance. Extensive experiments on several benchmarks verify that DropEdge consistently improves the performance on a variety of both shallow and deep GCNs. The effect of DropEdge on preventing over-smoothing is empirically visualized and validated as well. Codes are released on~\url{https://github.com/DropEdge/DropEdge}.
AssembleNet: Searching for Multi-Stream Neural Connectivity in Video Architectures
Venue: Conference ICLR 2020
Year: 2020

Learning to represent videos is a very challenging task both algorithmically and computationally. Standard video CNN architectures have been designed by directly extending architectures devised for image understanding to include the time dimension, using modules such as 3D convolutions, or by using two-stream design to capture both appearance and motion in videos. We interpret a video CNN as a collection of multi-stream convolutional blocks connected to each other, and propose the approach of automatically finding neural architectures with better connectivity and spatio-temporal interactions for video understanding. This is done by evolving a population of overly-connected architectures guided by connection weight learning. Architectures combining representations that abstract different input types (i.e., RGB and optical flow) at multiple temporal resolutions are searched for, allowing different types or sources of information to interact with each other. Our method, referred to as AssembleNet, outperforms prior approaches on public video datasets, in some cases by a great margin. We obtain 58.6% mAP on Charades and 34.27% accuracy on Moments-in-Time.
CAQL: Continuous Action Q-Learning
Venue: Conference ICLR 2020
Year: 2020

Value-based reinforcement learning (RL) methods like Q-learning have shown success in a variety of domains. One challenge in applying Q-learning to continuous-action RL problems, however, is the continuous action maximization (max-Q) required for optimal Bellman backup. In this work, we develop CAQL, a (class of) algorithm(s) for continuous-action Q-learning that can use several plug-and-play optimizers for the max-Q problem. Leveraging recent optimization results for deep neural networks, we show that max-Q can be solved optimally using mixed-integer programming (MIP). When the Q-function representation has sufficient power, MIP-based optimization gives rise to better policies and is more robust than approximate methods (e.g., gradient ascent, cross-entropy search). We further develop several techniques to accelerate inference in CAQL, which despite their approximate nature, perform well. We compare CAQL with state-of-the-art RL algorithms on benchmark continuous-control problems that have different degrees of action constraints and show that CAQL outperforms policy-based methods in heavily constrained environments, often dramatically.
Maximum Likelihood Constraint Inference for Inverse Reinforcement Learning
Venue: Conference ICLR 2020
Year: 2020

While most approaches to the problem of Inverse Reinforcement Learning (IRL) focus on estimating a reward function that best explains an expert agent's policy or demonstrated behavior on a control task, it is often the case that such behavior is more succinctly represented by a simple reward combined with a set of hard constraints. In this setting, the agent is attempting to maximize cumulative rewards subject to these given constraints on their behavior. We reformulate the problem of IRL on Markov Decision Processes (MDPs) such that, given a nominal model of the environment and a nominal reward function, we seek to estimate state, action, and feature constraints in the environment that motivate an agent's behavior. Our approach is based on the Maximum Entropy IRL framework, which allows us to reason about the likelihood of an expert agent's demonstrations given our knowledge of an MDP. Using our method, we can infer which constraints can be added to the MDP to most increase the likelihood of observing these demonstrations. We present an algorithm which iteratively infers the Maximum Likelihood Constraint to best explain observed behavior, and we evaluate its efficacy using both simulated behavior and recorded data of humans navigating around an obstacle.
On Universal Equivariant Set Networks
Venue: Conference ICLR 2020
Year: 2020

Using deep neural networks that are either invariant or equivariant to permutations in order to learn functions on unordered sets has become prevalent. The most popular, basic models are DeepSets [Zaheer et al. 2017] and PointNet [Qi et al. 2017]. While known to be universal for approximating invariant functions, DeepSets and PointNet are not known to be universal when approximating \emph{equivariant} set functions. On the other hand, several recent equivariant set architectures have been proven equivariant universal [Sannai et al. 2019], [Keriven et al. 2019], however these models either use layers that are not permutation equivariant (in the standard sense) and/or use higher order tensor variables which are less practical. There is, therefore, a gap in understanding the universality of popular equivariant set models versus theoretical ones. In this paper we close this gap by proving that: (i) PointNet is not equivariant universal; and (ii) adding a single linear transmission layer makes PointNet universal. We call this architecture PointNetST and argue it is the simplest permutation equivariant universal model known to date. Another consequence is that DeepSets is universal, and also PointNetSeg, a popular point cloud segmentation network (used eg, in [Qi et al. 2017]) is universal. The key theoretical tool used to prove the above results is an explicit characterization of all permutation equivariant polynomial layers. Lastly, we provide numerical experiments validating the theoretical results and comparing different permutation equivariant models.
EMPIR: Ensembles of Mixed Precision Deep Networks for Increased Robustness Against Adversarial Attacks
Venue: Conference ICLR 2020
Year: 2020

Ensuring robustness of Deep Neural Networks (DNNs) is crucial to their adoption in safety-critical applications such as self-driving cars, drones, and healthcare. Notably, DNNs are vulnerable to adversarial attacks in which small input perturbations can produce catastrophic misclassifications. In this work, we propose EMPIR, ensembles of quantized DNN models with different numerical precisions, as a new approach to increase robustness against adversarial attacks. EMPIR is based on the observation that quantized neural networks often demonstrate much higher robustness to adversarial attacks than full precision networks, but at the cost of a substantial loss in accuracy on the original (unperturbed) inputs. EMPIR overcomes this limitation to achieve the 'best of both worlds', i.e., the higher unperturbed accuracies of the full precision models combined with the higher robustness of the low precision models, by composing them in an ensemble. Further, as low precision DNN models have significantly lower computational and storage requirements than full precision models, EMPIR models only incur modest compute and memory overheads compared to a single full-precision model (<25% in our evaluations). We evaluate EMPIR across a suite of DNNs for 3 different image recognition tasks (MNIST, CIFAR-10 and ImageNet) and under 4 different adversarial attacks. Our results indicate that EMPIR boosts the average adversarial accuracies by 42.6%, 15.2% and 10.5% for the DNN models trained on the MNIST, CIFAR-10 and ImageNet datasets respectively, when compared to single full-precision models, without sacrificing accuracy on the unperturbed inputs.
Learning to Guide Random Search
Venue: Conference ICLR 2020
Year: 2020

We are interested in derivative-free optimization of high-dimensional functions. The sample complexity of existing methods is high and depends on problem dimensionality, unlike the dimensionality-independent rates of first-order methods. The recent success of deep learning suggests that many datasets lie on low-dimensional manifolds that can be represented by deep nonlinear models. We therefore consider derivative-free optimization of a high-dimensional function that lies on a latent low-dimensional manifold. We develop an online learning approach that learns this manifold while performing the optimization. In other words, we jointly learn the manifold and optimize the function. Our analysis suggests that the presented method significantly reduces sample complexity. We empirically evaluate the method on continuous optimization benchmarks and high-dimensional continuous control problems. Our method achieves significantly lower sample complexity than Augmented Random Search, Bayesian optimization, covariance matrix adaptation (CMA-ES), and other derivative-free optimization algorithms.
Input Complexity and Out-of-distribution Detection with Likelihood-based Generative Models
Venue: Conference ICLR 2020
Year: 2020

Likelihood-based generative models are a promising resource to detect out-of-distribution (OOD) inputs which could compromise the robustness or reliability of a machine learning system. However, likelihoods derived from such models have been shown to be problematic for detecting certain types of inputs that significantly differ from training data. In this paper, we pose that this problem is due to the excessive influence that input complexity has in generative models' likelihoods. We report a set of experiments supporting this hypothesis, and use an estimate of input complexity to derive an efficient and parameter-free OOD score, which can be seen as a likelihood-ratio, akin to Bayesian model comparison. We find such score to perform comparably to, or even better than, existing OOD detection approaches under a wide range of data sets, models, model sizes, and complexity estimates.