Publications

Parallel-mentoring for Offline Model-based Optimization

Can Chen

Christopher Beckham

Zixuan Liu

Xue (Steve) Liu

Chris Pal

openreview.net

Policy Optimization in a Noisy Neighborhood: On Return Landscapes in Continuous Control

Nathan Rahn

Pierluca D'Oro

Harley Wiltzer

Pierre-Luc Bacon

Marc Gendron-Bellemare

Deep reinforcement learning agents for continuous control are known to exhibit significant instability in their performance over time. In th… (voir plus)is work, we provide a fresh perspective on these behaviors by studying the return landscape: the mapping between a policy and a return. We find that popular algorithms traverse noisy neighborhoods of this landscape, in which a single update to the policy parameters leads to a wide range of returns. By taking a distributional view of these returns, we map the landscape, characterizing failure-prone regions of policy space and revealing a hidden dimension of policy quality. We show that the landscape exhibits surprising structure by finding simple paths in parameter space which improve the stability of a policy. To conclude, we develop a distribution-aware procedure which finds such paths, navigating away from noisy neighborhoods in order to improve the robustness of a policy. Taken together, our results provide new insight into the optimization, evaluation, and design of agents.

openreview.net

Prediction and Control in Continual Reinforcement Learning

Nishanth Anand

Doina Precup

Temporal difference (TD) learning is often used to update the estimate of the value function which is used by RL agents to extract useful po… (voir plus)licies. In this paper, we focus on value function estimation in continual reinforcement learning. We propose to decompose the value function into two components which update at different timescales: a _permanent_ value function, which holds general knowledge that persists over time, and a _transient_ value function, which allows quick adaptation to new situations. We establish theoretical results showing that our approach is well suited for continual learning and draw connections to the complementary learning systems (CLS) theory from neuroscience. Empirically, this approach improves performance significantly on both prediction and control problems.

openreview.net

Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction

Zuobai Zhang

Minghao Xu

Aurelie Lozano

Vijil Chenthamarakshan

Payel Das

Jian Tang

Self-supervised pre-training methods on proteins have recently gained attention, with most approaches focusing on either protein sequences o… (voir plus)r structures, neglecting the exploration of their joint distribution, which is crucial for a comprehensive understanding of protein functions by integrating co-evolutionary information and structural characteristics. In this work, inspired by the success of denoising diffusion models in generative tasks, we propose the DiffPreT approach to pre-train a protein encoder by sequence-structure joint diffusion modeling. DiffPreT guides the encoder to recover the native protein sequences and structures from the perturbed ones along the joint diffusion trajectory, which acquires the joint distribution of sequences and structures. Considering the essential protein conformational variations, we enhance DiffPreT by a method called Siamese Diffusion Trajectory Prediction (SiamDiff) to capture the correlation between different conformers of a protein. SiamDiff attains this goal by maximizing the mutual information between representations of diffusion trajectories of structurally-correlated conformers. We study the effectiveness of DiffPreT and SiamDiff on both atom- and residue-level structure-based protein understanding tasks. Experimental results show that the performance of DiffPreT is consistently competitive on all tasks, and SiamDiff achieves new state-of-the-art performance, considering the mean ranks on all tasks. Our implementation is available at https://github.com/DeepGraphLearning/SiamDiff.

openreview.net

Prioritizing Samples in Reinforcement Learning with Reducible Loss

Shiva Kanth Sujit

Somjit Nath

Pedro Braga

Samira Ebrahimi Kahou

openreview.net

Retrieval-Augmented Multiple Instance Learning

Yufei Cui

Ziquan Liu

Yixin CHEN

Yuchen Lu

Xinyue Yu

Xue (Steve) Liu

Tei-Wei Kuo

Miguel R. D. Rodrigues

Chun Jason Xue

Antoni B. Chan

Multiple Instance Learning (MIL) is a crucial weakly supervised learning method applied across various domains, e.g., medical diagnosis base… (voir plus)d on whole slide images (WSIs). Recent advancements in MIL algorithms have yielded exceptional performance when the training and test data originate from the same domain, such as WSIs obtained from the same hospital. However, this paper reveals a performance deterioration of MIL models when tested on an out-of-domain test set, exemplified by WSIs sourced from a novel hospital. To address this challenge, this paper introduces the Retrieval-AugMented MIL (RAM-MIL) framework, which integrates Optimal Transport (OT) as the distance metric for nearest neighbor retrieval. The development of RAM-MIL is driven by two key insights. First, a theoretical discovery indicates that reducing the input's intrinsic dimension can minimize the approximation error in attention-based MIL. Second, previous studies highlight a link between input intrinsic dimension and the feature merging process with the retrieved data. Empirical evaluations conducted on WSI classification demonstrate that the proposed RAM-MIL framework achieves state-of-the-art performance in both in-domain scenarios, where the training and retrieval data are in the same domain, and more crucially, in out-of-domain scenarios, where the (unlabeled) retrieval data originates from a different domain. Furthermore, the use of the transportation matrix derived from OT renders the retrieval results interpretable at the instance level, in contrast to the vanilla

openreview.net

Retrieval-Augmented Multiple Instance Learning

Yufei Cui

Ziquan Liu

Yixin CHEN

Yuchen Lu

Xinyue Yu

Xue (Steve) Liu

Tei-Wei Kuo

Miguel R. D. Rodrigues

Chun Jason Xue

Antoni B. Chan

Multiple Instance Learning (MIL) is a crucial weakly supervised learning method applied across various domains, e.g., medical diagnosis base… (voir plus)d on whole slide images (WSIs). Recent advancements in MIL algorithms have yielded exceptional performance when the training and test data originate from the same domain, such as WSIs obtained from the same hospital. However, this paper reveals a performance deterioration of MIL models when tested on an out-of-domain test set, exemplified by WSIs sourced from a novel hospital. To address this challenge, this paper introduces the Retrieval-AugMented MIL (RAM-MIL) framework, which integrates Optimal Transport (OT) as the distance metric for nearest neighbor retrieval. The development of RAM-MIL is driven by two key insights. First, a theoretical discovery indicates that reducing the input's intrinsic dimension can minimize the approximation error in attention-based MIL. Second, previous studies highlight a link between input intrinsic dimension and the feature merging process with the retrieved data. Empirical evaluations conducted on WSI classification demonstrate that the proposed RAM-MIL framework achieves state-of-the-art performance in both in-domain scenarios, where the training and retrieval data are in the same domain, and more crucially, in out-of-domain scenarios, where the (unlabeled) retrieval data originates from a different domain. Furthermore, the use of the transportation matrix derived from OT renders the retrieval results interpretable at the instance level, in contrast to the vanilla

2023-09-21

NeurIPS.cc/2023/Conference (poster)

openreview.net

Reusable Slotwise Mechanisms

Trang Nguyen

Amin Mansouri

Kanika Madan

Khuong N. Nguyen

Nguyen Duy Khuong

Kartik Ahuja

Dianbo Liu

Yoshua Bengio

Agents with the ability to comprehend and reason about the dynamics of objects would be expected to exhibit improved robustness and generali… (voir plus)zation in novel scenarios. However, achieving this capability necessitates not only an effective scene representation but also an understanding of the mechanisms governing interactions among object subsets. Recent studies have made significant progress in representing scenes using object slots. In this work, we introduce Reusable Slotwise Mechanisms, or RSM, a framework that models object dynamics by leveraging communication among slots along with a modular architecture capable of dynamically selecting reusable mechanisms for predicting the future states of each object slot. Crucially, RSM leverages the Central Contextual Information (CCI), enabling selected mechanisms to access the remaining slots through a bottleneck, effectively allowing for modeling of higher order and complex interactions that might require a sparse subset of objects. Experimental results demonstrate the superior performance of RSM compared to state-of-the-art methods across various future prediction and related downstream tasks, including Visual Question Answering and action planning. Furthermore, we showcase RSM's Out-of-Distribution generalization ability to handle scenes in intricate scenarios.

openreview.net

Small batch deep reinforcement learning

Johan Samir Obando Ceron

Marc Gendron-Bellemare

Pablo Samuel Castro

In value-based deep reinforcement learning with replay memories, the batch size parameter specifies how many transitions to sample for each … (voir plus)gradient update. Although critical to the learning process, this value is typically not adjusted when proposing new algorithms. In this work we present a broad empirical study that suggests {\em reducing} the batch size can result in a number of significant performance gains; this is surprising, as the general tendency when training neural networks is towards larger batch sizes for improved performance. We complement our experimental findings with a set of empirical analyses towards better understanding this phenomenon.

openreview.net

Do SSL Models Have Déjà Vu? A Case of Unintended Memorization in Self-supervised Learning

Casey Meehan

Florian Bordes

Pascal Vincent

Kamalika Chaudhuri

Chuan Guo

Self-supervised learning (SSL) algorithms can produce useful image representations by learning to associate different parts of natural image… (voir plus)s with one another. However, when taken to the extreme, SSL models can unintendedly memorize specific parts in individual training samples rather than learning semantically meaningful associations. In this work, we perform a systematic study of the unintended memorization of image-specific information in SSL models -- which we refer to as d\'ej\`a vu memorization. Concretely, we show that given the trained model and a crop of a training image containing only the background (e.g., water, sky, grass), it is possible to infer the foreground object with high accuracy or even visually reconstruct it. Furthermore, we show that d\'ej\`a vu memorization is common to different SSL algorithms, is exacerbated by certain design choices, and cannot be detected by conventional techniques for evaluating representation quality. Our study of d\'ej\`a vu memorization reveals previously unknown privacy risks in SSL models, as well as suggests potential practical mitigation strategies. Code is available at https://github.com/facebookresearch/DejaVu.

openreview.net

Statistical Guarantees for Variational Autoencoders using PAC-Bayesian Theory

Sokhna Diarra Mbacke

Florence Clerc

Pascal Germain

2023-09-21

NeurIPS.cc/2023/Conference (spotlight)

openreview.net