Publications

A Reinforcement Learning Pipeline for Band Gap-directed Crystal Generation

Prashant Govindarajan

Mathieu Reymond

Santiago Miret

Antoine Clavaud

Mariano Phielipp

Sarath Chandar

Property-driven AI-automated material discovery presents unique challenges owing to the complex nature of the chemical structural space and … (see more)computationally expensive simulations. For crystalline solids, the band gap is an important property for designing semiconductors and batteries. However, optimizing crystals for a target band gap is difficult and not well-explored. Reinforcement learning (RL) shows promise towards optimizing crystals, as it can freely explore the chemical space. However, it relies on regular band gap evaluations, which can only be accurately computed through expensive Density Functional Theory (DFT) simulations. In this study, we propose an active learning-inspired pipeline that combines RL and DFT simulations for optimizing crystal compositions given a target band gap. The pipeline includes an RL policy for predicting atom types and a band gap network that is fine-tuned with DFT data. Preliminary results indicate the need for furthering the state-of-the-art to address the inherent challenges of the problem.

2019-12-31

International Conference on Machine Learning (published)

Reinforcement Learning with Competitive Ensembles of Information-Constrained Primitives

Anirudh Goyal

Shagun Sodhani

Jonathan Binas

Xue Bin Peng

Sergey Levine

Reinforcement learning agents that operate in diverse and complex environments can benefit from the structured decomposition of their behavi… (see more)or. Often, this is addressed in the context of hierarchical reinforcement learning, where the aim is to decompose a policy into lower-level primitives or options, and a higher-level meta-policy that triggers the appropriate behaviors for a given situation. However, the meta-policy must still produce appropriate decisions in all states. In this work, we propose a policy design that decomposes into primitives, similarly to hierarchical reinforcement learning, but without a high-level meta-policy. Instead, each primitive can decide for themselves whether they wish to act in the current state. We use an information-theoretic mechanism for enabling this decentralized decision: each primitive chooses how much information it needs about the current state to make a decision and the primitive that requests the most information about the current state acts in the world. The primitives are regularized to use as little information as possible, which leads to natural competition and specialization. We experimentally demonstrate that this policy architecture improves over both flat and hierarchical policies in terms of generalization.

2019-12-31

ICLR.cc/2020/Conference (poster)

Revisiting Successor Features for Inverse Reinforcement Learning

Sanjiban Choudhury

2019-12-31

International Conference on Machine Learning (published)

Reward Redistribution Mechanisms in Multi-agent Reinforcement Learning

Aly Ibrahim

Anirudha Jitani

Piracha

Daoud

Doina Precup

In typical Multi-Agent Reinforcement Learning (MARL) settings, each agent acts to maximize its individual reward objective. However, for col… (see more)lective social welfare maximization, some agents may need to act non-selfishly. We propose a reward shaping mechanism using extrinsic motivation for achieving modularity and increased cooperation among agents in Sequential Social Dilemma (SSD) problems. Our mechanism, inspired by capitalism, provides extrinsic motivation to agents by redistributing a portion of collected re-wards based on each agent’s individual contribution towards team rewards. We demonstrate empirically that this mechanism leads to higher collective welfare relative to existing baselines. Furthermore, this reduces free rider issues and leads to more diverse policies. We evaluate our proposed mechanism for already specialised agents that are pre-trained for specific roles. We show that our mechanism, in the most challenging CleanUp environment, significantly out-performs two baselines (based roughly on socialism and anarchy) and accumulates 2-3 times higher rewards in an easier setting of the environment.

2019-12-31

(published)

www.semanticscholar.org

Seeing Through Your Skin: A Novel Visuo-Tactile Sensor for Robotic Manipulation

Francois Hogan

Sahand Rezaei-Shoshtari

M. Jenkin

Yashveer Girdhar

David Meger

Gregory Dudek

This work describes the development of the novel tactile sensor, named Semitransparent Tactile Sensor (STS), designed to enable reactive and… (see more) robust manipulation skills. The design, inspired from recent developments in optical tactile sensing technology, addresses a key missing features of these sensors: the ability to capture an “in the hand” perspective prior to and during the contact interaction. Whereas optical tactile sensors are typically opaque and obscure the view of the object at the critical moment prior to manipulator-object contact, we present a sensor that has the dual capabilities of acting as a tactile sensor and as a visual camera. This paper details the design and fabrication of the sensor, showcases its dual sensing capabilities, and introduces a simulated environment of the sensor within the PyBullet simulator.

2019-12-31

(published)

www.semanticscholar.org

3D Shape Reconstruction from Vision and Touch

Edward J. Smith

Roberto Calandra

Adriana Romero

Georgia Gkioxari

David Meger

Jitendra Malik

Michal Drozdzal

When a toddler is presented a new toy, their instinctual behaviour is to pick it up and inspect it with their hand and eyes in tandem, clear… (see more)ly searching over its surface to properly understand what they are playing with. Here, touch provides high fidelity localized information while vision provides complementary global context. However, in 3D shape reconstruction, the complementary fusion of visual and haptic modalities remains largely unexplored. In this paper, we study this problem and present an effective chart-based approach to fusing vision and touch, which leverages advances in graph convolutional networks. To do so, we introduce a dataset of simulated touch and vision signals from the interaction between a robotic hand and a large array of 3D objects. Our results show that (1) leveraging both vision and touch signals consistently improves single-modality baselines; (2) our approach outperforms alternative modality fusion methods and strongly benefits from the proposed chart-based structure; (3) the reconstruction quality increases with the number of grasps provided; and (4) the touch information not only enhances the reconstruction at the touch site but also extrapolates to its local neighborhood.

2019-12-31

Advances in Neural Information Processing Systems 33 (NeurIPS 2020) (published)

arxiv.org

Spike-based causal inference for weight alignment

Jordan Guerguiev

Konrad Paul Kording

Blake Aaron Richards

In artificial neural networks trained with gradient descent, the weights used for processing stimuli are also used during backward passes to… (see more) calculate gradients. For the real brain to approximate gradients, gradient information would have to be propagated separately, such that one set of synaptic weights is used for processing and another set is used for backward passes. This produces the so-called "weight transport problem" for biological models of learning, where the backward weights used to calculate gradients need to mirror the forward weights used to process stimuli. This weight transport problem has been considered so hard that popular proposals for biological learning assume that the backward weights are simply random, as in the feedback alignment algorithm. However, such random weights do not appear to work well for large networks. Here we show how the discontinuity introduced in a spiking system can lead to a solution to this problem. The resulting algorithm is a special case of an estimator used for causal inference in econometrics, regression discontinuity design. We show empirically that this algorithm rapidly makes the backward weights approximate the forward weights. As the backward weights become correct, this improves learning performance over feedback alignment on tasks such as Fashion-MNIST, SVHN, CIFAR-10 and VOC. Our results demonstrate that a simple learning rule in a spiking network can allow neurons to produce the right backward connections and thus solve the weight transport problem.

2019-12-31

ICLR.cc/2020/Conference (poster)

Systematicity in a Recurrent Neural Network by Factorizing Syntax and Semantics

Jacob Russin

Jason Jo

R. O’Reilly

Standard methods in deep learning fail to capture compositional or systematic structure in their training data, as shown by their inability … (see more)to generalize outside of the training distribution. However, human learners readily generalize in this way, e.g. by applying known grammatical rules to novel words. The inductive biases that might underlie this powerful cognitive capacity remain unclear. Inspired by work in cognitive science suggesting a functional distinction between systems for syntactic and semantic processing, we implement a modiﬁcation to an existing deep learning architecture, imposing an analogous separation. The resulting architecture substantially out-performs standard recurrent networks on the SCAN dataset, a compositional generalization task, without any additional supervision. Our work suggests that separating syntactic from semantic learning may be a useful heuristic for capturing compositional structure, and highlights the potential of using cognitive principles to inform inductive biases in deep learning.

2019-12-31

CogSci (published)

dblp.uni-trier.de

TDprop: Does Jacobi Preconditioning Help Temporal Difference Learning?

We investigate whether Jacobi preconditioning, accounting for the bootstrap term in temporal difference (TD) learning, can help boost perfor… (see more)mance of adaptive optimizers. Our method, TDprop, computes a per parameter learning rate based on the diagonal preconditioning of the TD update rule. We show how this can be used in both

2019-12-31

arXiv (preprint)

arxiv.org

On the Morality of Artificial Intelligence

Alexandra Luccioni

Much of the existing research on the social and ethical impact of Artificial Intelligence has been focused on defining ethical principles an… (see more)d guidelines surrounding Machine Learning (ML) and other Artificial Intelligence (AI) algorithms [IEEE, 2017, Jobin et al., 2019]. While this is extremely useful for helping define the appropriate social norms of AI, we believe that it is equally important to discuss both the potential and risks of ML and to inspire the community to use ML for beneficial objectives. In the present article, which is specifically aimed at ML practitioners, we thus focus more on the latter, carrying out an overview of existing high-level ethical frameworks and guidelines, but above all proposing both conceptual and practical principles and guidelines for ML research and deployment, insisting on concrete actions that can be taken by practitioners to pursue a more ethical and moral practice of ML aimed at using AI for social good.

2019-12-31

IEEE Technology and Society Magazine (published)

arxiv.org

The Variational Bandwidth Bottleneck: Stochastic Evaluation on an Information Budget

Anirudh Goyal

Matthew Botvinick

Sergey Levine

In many applications, it is desirable to extract only the relevant information from complex input data, which involves making a decision abo… (see more)ut which input features are relevant. The information bottleneck method formalizes this as an information-theoretic optimization problem by maintaining an optimal tradeoff between compression (throwing away irrelevant input information), and predicting the target. In many problem settings, including the reinforcement learning problems we consider in this work, we might prefer to compress only part of the input. This is typically the case when we have a standard conditioning input, such as a state observation, and a "privileged" input, which might correspond to the goal of a task, the output of a costly planning algorithm, or communication with another agent. In such cases, we might prefer to compress the privileged input, either to achieve better generalization (e.g., with respect to goals) or to minimize access to costly information (e.g., in the case of communication). Practical implementations of the information bottleneck based on variational inference require access to the privileged input in order to compute the bottleneck variable, so although they perform compression, this compression operation itself needs unrestricted, lossless access. In this work, we propose the variational bandwidth bottleneck, which decides for each example on the estimated value of the privileged information before seeing it, i.e., only based on the standard input, and then accordingly chooses stochastically, whether to access the privileged input or not. We formulate a tractable approximation to this framework and demonstrate in a series of reinforcement learning experiments that it can improve generalization and reduce access to computationally costly information.

2019-12-31

ICLR (published)