ICLR 2020 Papers

In recent years we have seen fast progress on a number of benchmark problems in AI, with modern methods achieving near or super human performance in Go, Poker and Dota. One common aspect of all of these challenges is that they are by design adversarial or, technically speaking, zero-sum. In contrast to these settings, success in the real world commonly requires humans to collaborate and communicate with others, in settings that are, at least partially, cooperative. In the last year, the card game Hanabi has been established as a new benchmark environment for AI to fill this gap. In particular, Hanabi is interesting to humans since it is entirely focused on theory of mind, i.e. the ability to effectively reason over the intentions, beliefs and point of view of other agents when observing their actions. Learning to be informative when observed by others is an interesting challenge for Reinforcement Learning (RL): Fundamentally, RL requires agents to explore in order to discover good policies. However, when done naively, this randomness will inherently make their actions less informative to others during training. We present a new deep multi-agent RL method, the Simplified Action Decoder (SAD), which resolves this contradiction exploiting the centralized training phase. During training SAD allows other agents to not only observe the (exploratory) action chosen, but agents instead also observe the greedy action of their team mates. By combining this simple intuition with an auxiliary task for state prediction and best practices for multi-agent learning, SAD establishes a new state of the art for 2-5 players on the self-play part of the Hanabi challenge.

Most generative models of audio directly generate samples in one of two domains: time or frequency. While sufficient to express any signal, these representations are inefficient, as they do not utilize existing knowledge of how sound is generated and perceived. A third approach (vocoders/synthesizers) successfully incorporates strong domain knowledge of signal processing and perception, but has been less actively researched due to limited expressivity and difficulty integrating with modern auto-differentiation-based machine learning methods. In this paper, we introduce the Differentiable Digital Signal Processing (DDSP) library, which enables direct integration of classic signal processing elements with deep learning methods. Focusing on audio synthesis, we achieve high-fidelity generation without the need for large autoregressive models or adversarial losses, demonstrating that DDSP enables utilizing strong inductive biases without losing the expressive power of neural networks. Further, we show that combining interpretable modules permits manipulation of each separate model component, with applications such as independent control of pitch and loudness, realistic extrapolation to pitches not seen during training, blind dereverberation of room acoustics, transfer of extracted room acoustics to new environments, and transformation of timbre between disparate sources. In short, DDSP enables an interpretable and modular approach to generative modeling, without sacrificing the benefits of deep learning. The library will is available at https://github.com/magenta/ddsp and we encourage further contributions from the community and domain experts.

While generative adversarial networks (GAN) have been widely adopted in various topics, in this paper we generalize the standard GAN to a new perspective by treating realness as a random variable that can be estimated from multiple angles. In this generalized framework, referred to as RealnessGAN, the discriminator outputs a distribution as the measure of realness. While RealnessGAN shares similar theoretical guarantees with the standard GAN, it provides more insights on adversarial learning. More importantly, compared to multiple baselines, RealnessGAN provides stronger guidance for the generator, achieving improvements on both synthetic and real-world datasets. Moreover, it enables the basic DCGAN architecture to generate realistic images at 1024*1024 resolution when trained from scratch.

We consider training machine learning models that are fair in the sense that their performance is invariant under certain sensitive perturbations to the inputs. For example, the performance of a resume screening system should be invariant under changes to the gender and/or ethnicity of the applicant. We formalize this notion of algorithmic fairness as a variant of individual fairness and develop a distributionally robust optimization approach to enforce it during training. We also demonstrate the effectiveness of the approach on two ML tasks that are susceptible to gender and racial biases.

Graph neural networks have recently achieved great successes in predicting quantum mechanical properties of molecules. These models represent a molecule as a graph using only the distance between atoms (nodes). They do not, however, consider the spatial direction from one atom to another, despite directional information playing a central role in empirical potentials for molecules, e.g. in angular potentials. To alleviate this limitation we propose directional message passing, in which we embed the messages passed between atoms instead of the atoms themselves. Each message is associated with a direction in coordinate space. These directional message embeddings are rotationally equivariant since the associated directions rotate with the molecule. We propose a message passing scheme analogous to belief propagation, which uses the directional information by transforming messages based on the angle between them. Additionally, we use spherical Bessel functions and spherical harmonics to construct theoretically well-founded, orthogonal representations that achieve better performance than the currently prevalent Gaussian radial basis representations while using fewer than 1/4 of the parameters. We leverage these innovations to construct the directional message passing neural network (DimeNet). DimeNet outperforms previous GNNs on average by 76% on MD17 and by 31% on QM9. Our implementation is available online.

Neural ordinary differential equations (ODEs) have been attracting increasing attention in various research domains recently. There have been some works studying optimization issues and approximation capabilities of neural ODEs, but their robustness is still yet unclear. In this work, we fill this important gap by exploring robustness properties of neural ODEs both empirically and theoretically. We first present an empirical study on the robustness of the neural ODE-based networks (ODENets) by exposing them to inputs with various types of perturbations and subsequently investigating the changes of the corresponding outputs. In contrast to conventional convolutional neural networks (CNNs), we find that the ODENets are more robust against both random Gaussian perturbations and adversarial attack examples. We then provide an insightful understanding of this phenomenon by exploiting a certain desirable property of the flow of a continuous-time ODE, namely that integral curves are non-intersecting. Our work suggests that, due to their intrinsic robustness, it is promising to use neural ODEs as a basic block for building robust deep network models. To further enhance the robustness of vanilla neural ODEs, we propose the time-invariant steady neural ODE (TisODE), which regularizes the flow on perturbed data via the time-invariant property and the imposition of a steady-state constraint. We show that the TisODE method outperforms vanilla neural ODEs and also can work in conjunction with other state-of-the-art architectural methods to build more robust deep networks.

Designing a convolution for a spherical neural network requires a delicate tradeoff between efficiency and rotation equivariance. DeepSphere, a method based on a graph representation of the discretized sphere, strikes a controllable balance between these two desiderata. This contribution is twofold. First, we study both theoretically and empirically how equivariance is affected by the underlying graph with respect to the number of pixels and neighbors. Second, we evaluate DeepSphere on relevant problems. Experiments show state-of-the-art performance and demonstrates the efficiency and flexibility of this formulation. Perhaps surprisingly, comparison with previous work suggests that anisotropic filters might be an unnecessary price to pay. Our code is available at https://github.com/deepsphere.