We introduce a machine learning approach to determine the transition dynamics of silicon atoms on a single layer of carbon atoms, when stimulated by the electron beam of a scanning transmission electron microscope (STEM). Our method is data-centric, leveraging data collected on a STEM. The data samples are processed and filtered to produce symbolic representations, which we use to train a neural network to predict transition probabilities. These learned transition dynamics are then leveraged to guide a single silicon atom throughout the lattice to pre-determined target destinations. We present empirical analyses that demonstrate the efficacy and generality of our approach.

We show that large language models (LLMs) can be adapted to be generalizable policies for embodied visual tasks. Our approach, called Large LAnguage model Reinforcement Learning Policy (LLaRP), adapts a pre-trained frozen LLM to take as input text instructions and visual egocentric observations and output actions directly in the environment. Using reinforcement learning, we train LLaRP to see and act solely through environmental interactions. We show that LLaRP is robust to complex paraphrasings of task instructions and can generalize to new tasks that require novel optimal behavior. In particular, on 1,000 unseen tasks it achieves 42% success rate, 1.7x the success rate of other common learned baselines or zero-shot applications of LLMs. Finally, to aid the community in studying language conditioned, massively multi-task, embodied AI problems we release a novel benchmark, Language Rearrangement, consisting of 150,000 training and 1,000 testing tasks for language-conditioned rearrangement.

In this work, we discuss building performant Multimodal Large Language Models (MLLMs). In particular, we study the importance of various architecture components and data choices. Through careful and comprehensive ablations of the image encoder, the vision language connector, and various pre-training data choices, we identified several crucial design lessons. For example, we demonstrate that for large-scale multimodal pre-training using a careful mix of image-caption, interleaved image-text, and text-only data is crucial for achieving state-of-the-art (SOTA) few-shot results across multiple benchmarks, compared to other published multimodal pre-training results. Further, we show that the image encoder together with image resolution and the image token count has substantial impact, while the vision-language connector design is of comparatively negligible importance. By scaling up the presented recipe, we build MM1, a family of multimodal models, including both dense variants up to 30B and mixture-of-experts (MoE) variants up to 64B, that are SOTA in pre-training metrics and achieve competitive performance after supervised fine-tuning on a range of established multimodal benchmarks. Thanks to large-scale pre-training, MM1 enjoys appealing properties such as enhanced in-context learning, and multi-image reasoning, enabling few-shot chain-of-thought prompting.

Journal Article Discovering the Electron Beam Induced Transition Rates for Silicon Dopants in Graphene with Deep Neural Networks in the STEM Get access Kevin M Roccapriore, Kevin M Roccapriore Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, United States Search for other works by this author on: Oxford Academic Google Scholar Max Schwarzer, Max Schwarzer Mila - Québec AI Institute, Montréal, QC, CanadaDepartment of Computer Science and Operations Research, Université de Montréal, Montréal, QC, CanadaGoogle Research, Brain Team Search for other works by this author on: Oxford Academic Google Scholar Joshua Greaves, Joshua Greaves Google Research, Brain Team Search for other works by this author on: Oxford Academic Google Scholar Jesse Farebrother, Jesse Farebrother Mila - Québec AI Institute, Montréal, QC, CanadaGoogle Research, Brain TeamSchool of Computer Science, McGill University, Montréal, QC, Canada Search for other works by this author on: Oxford Academic Google Scholar Rishabh Agarwal, Rishabh Agarwal Mila - Québec AI Institute, Montréal, QC, CanadaDepartment of Computer Science and Operations Research, Université de Montréal, Montréal, QC, CanadaGoogle Research, Brain Team Search for other works by this author on: Oxford Academic Google Scholar Colton Bishop, Colton Bishop Google Research, Brain Team Search for other works by this author on: Oxford Academic Google Scholar Maxim Ziatdinov, Maxim Ziatdinov Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, United StatesComputational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN, United States Search for other works by this author on: Oxford Academic Google Scholar Igor Mordatch, Igor Mordatch Google Research, Brain Team Search for other works by this author on: Oxford Academic Google Scholar Ekin D Cubuk, Ekin D Cubuk Google Research, Brain Team Search for other works by this author on: Oxford Academic Google Scholar Aaron Courville, Aaron Courville Mila - Québec AI Institute, Montréal, QC, CanadaDepartment of Computer Science and Operations Research, Université de Montréal, Montréal, QC, Canada Search for other works by this author on: Oxford Academic Google Scholar ... Show more Pablo Samuel Castro, Pablo Samuel Castro Google Research, Brain Team Search for other works by this author on: Oxford Academic Google Scholar Marc G Bellemare, Marc G Bellemare Mila - Québec AI Institute, Montréal, QC, CanadaGoogle Research, Brain TeamSchool of Computer Science, McGill University, Montréal, QC, Canada Search for other works by this author on: Oxford Academic Google Scholar Sergei V Kalinin Sergei V Kalinin Department of Materials Science and Engineering, University of Tennessee, Knoxville TN, United States Corresponding author: sergei2@utk.edu Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 29, Issue Supplement_1, 1 August 2023, Pages 1932–1933, https://doi.org/10.1093/micmic/ozad067.1000 Published: 22 July 2023

We introduce a value-based RL agent, which we call BBF, that achieves super-human performance in the Atari 100K benchmark. BBF relies on scaling the neural networks used for value estimation, as well as a number of other design choices that enable this scaling in a sample-efficient manner. We conduct extensive analyses of these design choices and provide insights for future work. We end with a discussion about updating the goalposts for sample-efficient RL research on the ALE. We make our code and data publicly available at https://github.com/google-research/google-research/tree/master/bigger_better_faster.

Increasing the replay ratio, the number of updates of an agent's parameters per environment interaction, is an appealing strategy for improving the sample efficiency of deep reinforcement learning algorithms. In this work, we show that fully or partially resetting the parameters of deep reinforcement learning agents causes better replay ratio scaling capabilities to emerge. We push the limits of the sample efficiency of carefully-modified algorithms by training them using an order of magnitude more updates than usual, significantly improving their performance in the Atari 100k and DeepMind Control Suite benchmarks. We then provide an analysis of the design choices required for favorable replay ratio scaling to be possible and discuss inherent limits and tradeoffs.

Simplicial Embeddings (SEM) are representations learned through self-supervised learning (SSL), wherein a representation is projected into $L$ simplices of $V$ dimensions each using a softmax operation. This procedure conditions the representation onto a constrained space during pretraining and imparts an inductive bias for group sparsity. For downstream classification, we formally prove that the SEM representation leads to better generalization than an unnormalized representation. Furthermore, we empirically demonstrate that SSL methods trained with SEMs have improved generalization on natural image datasets such as CIFAR-100 and ImageNet. Finally, when used in a downstream classification task, we show that SEM features exhibit emergent semantic coherence where small groups of learned features are distinctly predictive of semantically-relevant classes.

Learning tabula rasa, that is without any prior knowledge, is the prevalent workflow in reinforcement learning (RL) research. However, RL systems, when applied to large-scale settings, rarely operate tabula rasa. Such large-scale systems undergo multiple design or algorithmic changes during their development cycle and use ad hoc approaches for incorporating these changes without re-training from scratch, which would have been prohibitively expensive. Additionally, the inefficiency of deep RL typically excludes researchers without access to industrial-scale resources from tackling computationally-demanding problems. To address these issues, we present reincarnating RL as an alternative workflow or class of problem settings, where prior computational work (e.g., learned policies) is reused or transferred between design iterations of an RL agent, or from one RL agent to another. As a step towards enabling reincarnating RL from any agent to any other agent, we focus on the specific setting of efficiently transferring an existing sub-optimal policy to a standalone value-based RL agent. We find that existing approaches fail in this setting and propose a simple algorithm to address their limitations. Equipped with this algorithm, we demonstrate reincarnating RL's gains over tabula rasa RL on Atari 2600 games, a challenging locomotion task, and the real-world problem of navigating stratospheric balloons. Overall, this work argues for an alternative approach to RL research, which we believe could significantly improve real-world RL adoption and help democratize it further. Open-sourced code and trained agents at https://agarwl.github.io/reincarnating_rl.

This work identifies a common flaw of deep reinforcement learning (RL) algorithms: a tendency to rely on early interactions and ignore useful evidence encountered later. Because of training on progressively growing datasets, deep RL agents incur a risk of overfitting to earlier experiences, negatively affecting the rest of the learning process. Inspired by cognitive science, we refer to this effect as the primacy bias. Through a series of experiments, we dissect the algorithmic aspects of deep RL that exacerbate this bias. We then propose a simple yet generally-applicable mechanism that tackles the primacy bias by periodically resetting a part of the agent. We apply this mechanism to algorithms in both discrete (Atari 100k) and continuous action (DeepMind Control Suite) domains, consistently improving their performance.

Learning tabula rasa, that is without any prior knowledge, is the prevalent workflow in reinforcement learning (RL) research. However, RL systems, when applied to large-scale settings, rarely operate tabula rasa. Such large-scale systems undergo multiple design or algorithmic changes during their development cycle and use ad hoc approaches for incorporating these changes without re-training from scratch, which would have been prohibitively expensive. Additionally, the inefficiency of deep RL typically excludes researchers without access to industrial-scale resources from tackling computationally-demanding problems. To address these issues, we present reincarnating RL as an alternative workflow, where prior computational work (e.g., learned policies) is reused or transferred between design iterations of an RL agent, or from one RL agent to another. As a step towards enabling reincarnating RL from any agent to any other agent, we focus on the specific setting of efficiently transferring an existing sub-optimal policy to a standalone valuebased RL agent. We find that existing approaches fail in this setting and propose a simple algorithm to address their limitations. Equipped with this algorithm, we demonstrate reincarnating RL’s gains over tabula rasa RL on Atari 2600 games, a challenging locomotion task, and the real-world problem of navigating stratospheric balloons. Overall, this work argues for an alternate approach to RL research, which we believe could significantly improve real-world RL adoption and help democratize it further.

Although neural module networks have an architectural bias towards compositionality, they require gold standard layouts to generalize systematically in practice. When instead learning layouts and modules jointly, compositionality does not arise automatically and an explicit pressure is necessary for the emergence of layouts exhibiting the right structure. We propose to address this problem using iterated learning, a cognitive science theory of the emergence of compositional languages in nature that has primarily been applied to simple referential games in machine learning. Considering the layouts of module networks as samples from an emergent language, we use iterated learning to encourage the development of structure within this language. We show that the resulting layouts support systematic generalization in neural agents solving the more complex task of visual question-answering. Our regularized iterated learning method can outperform baselines without iterated learning on SHAPES-SyGeT (SHAPES Systematic Generalization Test), a new split of the SHAPES dataset we introduce to evaluate systematic generalization, and on CLOSURE, an extension of CLEVR also designed to test systematic generalization. We demonstrate superior performance in recovering ground-truth compositional program structure with limited supervision on both SHAPES-SyGeT and CLEVR.

Deep reinforcement learning (RL) algorithms are predominantly evaluated by comparing their relative performance on a large suite of tasks. Most published results on deep RL benchmarks compare point estimates of aggregate performance such as mean and median scores across tasks, ignoring the statistical uncertainty implied by the use of a finite number of training runs. Beginning with the Arcade Learning Environment (ALE), the shift towards computationally-demanding benchmarks has led to the practice of evaluating only a small number of runs per task, exacerbating the statistical uncertainty in point estimates. In this paper, we argue that reliable evaluation in the few run deep RL regime cannot ignore the uncertainty in results without running the risk of slowing down progress in the field. We illustrate this point using a case study on the Atari 100k benchmark, where we find substantial discrepancies between conclusions drawn from point estimates alone versus a more thorough statistical analysis. With the aim of increasing the field's confidence in reported results with a handful of runs, we advocate for reporting interval estimates of aggregate performance and propose performance profiles to account for the variability in results, as well as present more robust and efficient aggregate metrics, such as interquartile mean scores, to achieve small uncertainty in results. Using such statistical tools, we scrutinize performance evaluations of existing algorithms on other widely used RL benchmarks including the ALE, Procgen, and the DeepMind Control Suite, again revealing discrepancies in prior comparisons. Our findings call for a change in how we evaluate performance in deep RL, for which we present a more rigorous evaluation methodology, accompanied with an open-source library rliable, to prevent unreliable results from stagnating the field.

While deep reinforcement learning excels at solving tasks where large amounts of data can be collected through virtually unlimited interaction with the environment, learning from limited interaction remains a key challenge. We posit that an agent can learn more efficiently if we augment reward maximization with self-supervised objectives based on structure in its visual input and sequential interaction with the environment. Our method, Self-Predictive Representations (SPR), trains an agent to predict its own latent state representations multiple steps into the future. We compute target representations for future states using an encoder which is an exponential moving average of the agent’s parameters and we make predictions using a learned transition model. On its own, this future prediction objective outperforms prior methods for sample-efficient deep RL from pixels. We further improve performance by adding data augmentation to the future prediction loss, which forces the agent’s representations to be consistent across multiple views of an observation. Our full self-supervised objective, which combines future prediction and data augmentation, achieves a median human-normalized score of 0.415 on Atari in a setting limited to 100k steps of environment interaction, which represents a 55% relative improvement over the previous state-of-the-art. Notably, even in this limited data regime, SPR exceeds expert human scores on 7 out of 26 games. We’ve made the code associated with this work available at https://github.com/mila-iqia/spr.

The quality of fully automated text simplification systems is not good enough for use in real-world settings; instead, human simplifications are used. In this paper, we examine how to improve the cost and quality of human simplifications by leveraging crowdsourcing. We introduce a graph-based sentence fusion approach to augment human simplifications and a reranking approach to both select high quality simplifications and to allow for targeting simplifications with varying levels of simplicity. Using the Newsela dataset (Xu et al., 2015) we show consistent improvements over experts at varying simplification levels and find that the additional sentence fusion simplifications allow for simpler output than the human simplifications alone.

Data efficiency is a key challenge for deep reinforcement learning. We address this problem by using unlabeled data to pretrain an encoder which is then finetuned on a small amount of task-specific data. To encourage learning representations which capture diverse aspects of the underlying MDP, we employ a combination of latent dynamics modelling and unsupervised goal-conditioned RL. When limited to 100k steps of interaction on Atari games (equivalent to two hours of human experience), our approach significantly surpasses prior work combining offline representation pretraining with task-specific finetuning, and compares favourably with other pretraining methods that require orders of magnitude more data. Our approach shows particular promise when combined with larger models as well as more diverse, task-aligned observational data -- approaching human-level performance and data-efficiency on Atari in our best setting. We provide code associated with this work at https://github.com/mila-iqia/SGI.

We advocate the use of a notion of entropy that reflects the relative abundances of the symbols in an alphabet, as well as the similarities between them. This concept was originally introduced in theoretical ecology to study the diversity of ecosystems. Based on this notion of entropy, we introduce geometry-aware counterparts for several concepts and theorems in information theory. Notably, our proposed divergence exhibits performance on par with state-of-the-art methods based on the Wasserstein distance, but enjoys a closed-form expression that can be computed efficiently. We demonstrate the versatility of our method via experiments on a broad range of domains: training generative models, computing image barycenters, approximating empirical measures and counting modes.

We advocate the use of a notion of entropy that reflects the relative abundances of the symbols in an alphabet, as well as the similarities between them. This concept was originally introduced in theoretical ecology to study the diversity of ecosystems. Based on this notion of entropy, we introduce geometry-aware counterparts for several concepts and theorems in information theory. Notably, our proposed divergence exhibits performance on par with state-of-the-art methods based on the Wasserstein distance, but enjoys a closed-form expression that can be computed efficiently. We demonstrate the versatility of our method via experiments on a broad range of domains: training generative models, computing image barycenters, approximating empirical measures and counting modes.

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train on simulation data from high-fidelity models, emulating the results of these models while avoiding the overwhelming computational demands associated with running a statistically significant sample of simulations. We employ a graph convolutional network that recognizes features of the fracturing material and a recurrent neural network that models the evolution of these features, along with a novel form of data augmentation that compensates for the modest size of our training data. We simultaneously generate predictions for qualitatively distinct material properties. Results on fracture damage and length are within 3% of their simulated values, and results on time to material failure, which is notoriously difficult to predict even with high-fidelity models, are within approximately 15% of simulated values. Once trained, our neural networks generate predictions within seconds, rather than the hours needed to run a single simulation.