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Does GNN Pretraining Help Molecular Representation?
| null |
Extracting informative representations of molecules using Graph neural networks (GNNs) is crucial in AI-driven drug discovery. Recently, the graph research community has been trying to replicate the success of self-supervised pretraining in natural language processing, with several successes claimed. However, we find the benefit brought by self-supervised pretraining on small molecular data can be negligible in many cases. We conduct thorough ablation studies on the key components of GNN pretraining, including pretraining objectives, data splitting methods, input features, pretraining dataset scales, and GNN architectures, to see how they affect the accuracy of the downstream tasks. Our first important finding is, self-supervised graph pretraining do not always have statistically significant advantages over non-pretraining methods in many settings. Secondly, although noticeable improvement can be observed with additional supervised pretraining, the improvement may diminish with richer features or more balanced data splits. Thirdly, hyper-parameters could have larger impacts on accuracy of downstream tasks than the choice of pretraining tasks, especially when the scales of downstream tasks are small. Finally, we provide our conjectures where the complexity of some pretraining methods on small molecules might be insufficient, followed by empirical evidences on different pretraining datasets.
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Ruoxi Sun, Hanjun Dai, Adams Wei Yu
| null | null | 2,022 |
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Spending Thinking Time Wisely: Accelerating MCTS with Virtual Expansions
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One of the most important AI research questions is to trade off computation versus performance since ``perfect rationality" exists in theory but is impossible to achieve in practice. Recently, Monte-Carlo tree search (MCTS) has attracted considerable attention due to the significant performance improvement in various challenging domains. However, the expensive time cost during search severely restricts its scope for applications. This paper proposes the Virtual MCTS (V-MCTS), a variant of MCTS that spends more search time on harder states and less search time on simpler states adaptively. We give theoretical bounds of the proposed method and evaluate the performance and computations on $9 \times 9$ Go board games and Atari games. Experiments show that our method can achieve comparable performances to the original search algorithm while requiring less than $50\%$ search time on average. We believe that this approach is a viable alternative for tasks under limited time and resources. The code is available at \url{https://github.com/YeWR/V-MCTS.git}.
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Weirui Ye, Pieter Abbeel, Yang Gao
| null | null | 2,022 |
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Unsupervised Object Detection Pretraining with Joint Object Priors Generation and Detector Learning
| null |
Unsupervised pretraining methods for object detection aim to learn object discrimination and localization ability from large amounts of images. Typically, recent works design pretext tasks that supervise the detector to predict the defined object priors. They normally leverage heuristic methods to produce object priors, \emph{e.g.,} selective search, which separates the prior generation and detector learning and leads to sub-optimal solutions. In this work, we propose a novel object detection pretraining framework that could generate object priors and learn detectors jointly by generating accurate object priors from the model itself. Specifically, region priors are extracted by attention maps from the encoder, which highlights foregrounds. Instance priors are the selected high-quality output bounding boxes of the detection decoder. By assuming objects as instances in the foreground, we can generate object priors with both region and instance priors. Moreover, our object priors are jointly refined along with the detector optimization. With better object priors as supervision, the model could achieve better detection capability, which in turn promotes the object priors generation. Our method improves the competitive approaches by \textbf{+1.3 AP}, \textbf{+1.7 AP} in 1\% and 10\% COCO low-data regimes object detection.
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Yizhou Wang, Meilin Chen, SHIXIANG TANG, Feng Zhu, Haiyang Yang, LEI BAI, Rui Zhao, Yunfeng Yan, Donglian Qi, Wanli Ouyang
| null | null | 2,022 |
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Learning Optimal Flows for Non-Equilibrium Importance Sampling
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Many applications in computational sciences and statistical inference require the computation of expectations with respect to complex high-dimensional distributions with unknown normalization constants, as well as the estimation of these constants. Here we develop a method to perform these calculations based on generating samples from a simple base distribution, transporting them by the flow generated by a velocity field, and performing averages along these flowlines. This non-equilibrium importance sampling (NEIS) strategy is straightforward to implement and can be used for calculations with arbitrary target distributions. On the theory side, we discuss how to tailor the velocity field to the target and establish general conditions under which the proposed estimator is a perfect estimator with zero-variance. We also draw connections between NEIS and approaches based on mapping a base distribution onto a target via a transport map. On the computational side, we show how to use deep learning to represent the velocity field by a neural network and train it towards the zero variance optimum. These results are illustrated numerically on benchmark examples (with dimension up to $10$), where after training the velocity field, the variance of the NEIS estimator is reduced by up to $6$ orders of magnitude than that of a vanilla estimator. We also compare the performances of NEIS with those of Neal's annealed importance sampling (AIS).
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Yu Cao, Eric Vanden-Eijnden
| null | null | 2,022 |
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Modular Flows: Differential Molecular Generation
| null |
Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between encoding and decoding steps that necessitates post hoc validity correction. Inspired by graph PDEs, we circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of coupled node ODEs, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message passing temporal networks, and result in superlative density estimation and molecular generation. In particular, our generated samples achieve state of the art on both the standard QM9 and ZINC250K benchmarks.
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Yogesh Verma, Samuel Kaski, Markus Heinonen, Vikas Garg
| null | null | 2,022 |
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Reinforced Genetic Algorithm for Structure-based Drug Design
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Structure-based drug design (SBDD) aims to discover drug candidates by finding molecules (ligands) that bind tightly to a disease-related protein (targets), which is the primary approach to computer-aided drug discovery. Recently, applying deep generative models for three-dimensional (3D) molecular design conditioned on protein pockets to solve SBDD has attracted much attention, but their formulation as probabilistic modeling often leads to unsatisfactory optimization performance. On the other hand, traditional combinatorial optimization methods such as genetic algorithms (GA) have demonstrated state-of-the-art performance in various molecular optimization tasks. However, they do not utilize protein target structure to inform design steps but rely on a random-walk-like exploration, which leads to unstable performance and no knowledge transfer between different tasks despite the similar binding physics. To achieve a more stable and efficient SBDD, we propose Reinforced Genetic Algorithm (RGA) that uses neural models to prioritize the profitable design steps and suppress random-walk behavior. The neural models take the 3D structure of the targets and ligands as inputs and are pre-trained using native complex structures to utilize the knowledge of the shared binding physics from different targets and then fine-tuned during optimization. We conduct thorough empirical studies on optimizing binding affinity to various disease targets and show that RGA outperforms the baselines in terms of docking scores and is more robust to random initializations. The ablation study also indicates that the training on different targets helps improve the performance by leveraging the shared underlying physics of the binding processes. The code is available at https://github.com/futianfan/reinforced-genetic-algorithm.
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Tianfan Fu, Wenhao Gao, Connor Coley, Jimeng Sun
| null | null | 2,022 |
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EAGER: Asking and Answering Questions for Automatic Reward Shaping in Language-guided RL
| null |
Reinforcement learning (RL) in long horizon and sparse reward tasks is notoriously difficult and requires a lot of training steps. A standard solution to speed up the process is to leverage additional reward signals, shaping it to better guide the learning process.In the context of language-conditioned RL, the abstraction and generalisation properties of the language input provide opportunities for more efficient ways of shaping the reward.In this paper, we leverage this idea and propose an automated reward shaping method where the agent extracts auxiliary objectives from the general language goal. These auxiliary objectives use a question generation (QG) and a question answering (QA) system: they consist of questions leading the agent to try to reconstruct partial information about the global goal using its own trajectory.When it succeeds, it receives an intrinsic reward proportional to its confidence in its answer. This incentivizes the agent to generate trajectories which unambiguously explain various aspects of the general language goal.Our experimental study using various BabyAI environments shows that this approach, which does not require engineer intervention to design the auxiliary objectives, improves sample efficiency by effectively directing the exploration.
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Thomas Carta, Pierre-Yves Oudeyer, Olivier Sigaud, Sylvain Lamprier
| null | null | 2,022 |
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A Variational Edge Partition Model for Supervised Graph Representation Learning
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Graph neural networks (GNNs), which propagate the node features through the edges and learn how to transform the aggregated features under label supervision, have achieved great success in supervised feature extraction for both node-level and graph-level classification tasks. However, GNNs typically treat the graph structure as given and ignore how the edges are formed. This paper introduces a graph generative process to model how the observed edges are generated by aggregating the node interactions over a set of overlapping node communities, each of which contributes to the edges via a logical OR mechanism. Based on this generative model, we partition each edge into the summation of multiple community-specific weighted edges and use them to define community-specific GNNs. A variational inference framework is proposed to jointly learn a GNN-based inference network that partitions the edges into different communities, these community-specific GNNs, and a GNN-based predictor that combines community-specific GNNs for the end classification task. Extensive evaluations on real-world graph datasets have verified the effectiveness of the proposed method in learning discriminative representations for both node-level and graph-level classification tasks.
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Yilin He, Chaojie Wang, Hao Zhang, Bo Chen, Mingyuan Zhou
| null | null | 2,022 |
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QueryPose: Sparse Multi-Person Pose Regression via Spatial-Aware Part-Level Query
| null |
We propose a sparse end-to-end multi-person pose regression framework, termed QueryPose, which can directly predict multi-person keypoint sequences from the input image. The existing end-to-end methods rely on dense representations to preserve the spatial detail and structure for precise keypoint localization. However, the dense paradigm introduces complex and redundant post-processes during inference. In our framework, each human instance is encoded by several learnable spatial-aware part-level queries associated with an instance-level query. First, we propose the Spatial Part Embedding Generation Module (SPEGM) that considers the local spatial attention mechanism to generate several spatial-sensitive part embeddings, which contain spatial details and structural information for enhancing the part-level queries. Second, we introduce the Selective Iteration Module (SIM) to adaptively update the sparse part-level queries via the generated spatial-sensitive part embeddings stage-by-stage. Based on the two proposed modules, the part-level queries are able to fully encode the spatial details and structural information for precise keypoint regression. With the bipartite matching, QueryPose avoids the hand-designed post-processes. Without bells and whistles, QueryPose surpasses the existing dense end-to-end methods with 73.6 AP on MS COCO mini-val set and 72.7 AP on CrowdPose test set. Code is available at https://github.com/buptxyb666/QueryPose.
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Yabo Xiao, Kai Su, Xiaojuan Wang, Dongdong Yu, Lei Jin, Mingshu He, Zehuan Yuan
| null | null | 2,022 |
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OpenFilter: A Framework to Democratize Research Access to Social Media AR Filters
| null |
Augmented Reality or AR filters on selfies have become very popular on social media platforms for a variety of applications, including marketing, entertainment and aesthetics. Given the wide adoption of AR face filters and the importance of faces in our social structures and relations, there is increased interest by the scientific community to analyze the impact of such filters from a psychological, artistic and sociological perspective. However, there are few quantitative analyses in this area mainly due to a lack of publicly available datasets of facial images with applied AR filters. The proprietary, close nature of most social media platforms does not allow users, scientists and practitioners to access the code and the details of the available AR face filters. Scraping faces from these platforms to collect data is ethically unacceptable and should, therefore, be avoided in research. In this paper, we present OpenFilter, a flexible framework to apply AR filters available in social media platforms on existing large collections of human faces. Moreover, we share FairBeauty and B-LFW, two beautified versions of the publicly available FairFace and LFW datasets and we outline insights derived from the analysis of these beautified datasets.
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Piera Riccio, Bill Psomas, Francesco Galati, Francisco Escolano, Thomas Hofmann, Nuria Oliver
| null | null | 2,022 |
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Sparse Fourier Backpropagation in Cryo-EM Reconstruction
| null |
Electron cryo-microscopy (cryo-EM) is a powerful method for investigating the structures of protein molecules, with important implications for understanding the molecular processes of life and drug development. In this technique, many noisy, two-dimensional projection images of protein molecules in unknown poses are combined into one or more three-dimensional reconstructions. The presence of multiple structural states in the data represents a major bottleneck in existing processing pipelines, often requiring expert user supervision. Variational auto-encoders (VAEs) have recently been proposed as an attractive means for learning the data manifold of data sets with a large number of different states. These methods are based on a coordinate-based approach, similar to Neural Radiance Fields (NeRF), to make volumetric reconstructions from 2D image data in Fourier-space. Although NeRF is a powerful method for real-space reconstruction, many of the benefits of the method do not transfer to Fourier-space, e.g. inductive bias for spatial locality. We present an approach where the VAE reconstruction is expressed on a volumetric grid, and demonstrate how this model can be trained efficiently through a novel backpropagation method that exploits the sparsity of the projection operation in Fourier-space. We achieve improved results on a simulated data set and at least equivalent results on an experimental data set when compared to the coordinate-based approach, while also substantially lowering computational cost. Our approach is computationally more efficient, especially in inference, enabling interactive analysis of the latent space by the user.
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Dari Kimanius, Kiarash Jamali, Sjors Scheres
| null | null | 2,022 |
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Learning Dense Object Descriptors from Multiple Views for Low-shot Category Generalization
| null |
A hallmark of the deep learning era for computer vision is the successful use of large-scale labeled datasets to train feature representations. This has been done for tasks ranging from object recognition and semantic segmentation to optical flow estimation and novel view synthesis of 3D scenes. In this work, we aim to learn dense discriminative object representations for low-shot category recognition without requiring any category labels. To this end, we propose Deep Object Patch Encodings (DOPE), which can be trained from multiple views of object instances without any category or semantic object part labels. To train DOPE, we assume access to sparse depths, foreground masks and known cameras, to obtain pixel-level correspondences between views of an object, and use this to formulate a self-supervised learning task to learn discriminative object patches. We find that DOPE can directly be used for low-shot classification of novel categories using local-part matching, and is competitive with and outperforms supervised and self-supervised learning baselines.
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Stefan Stojanov, Anh Thai, Zixuan Huang, James M. Rehg
| null | null | 2,022 |
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Invariance Learning in Deep Neural Networks with Differentiable Laplace Approximations
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Data augmentation is commonly applied to improve performance of deep learning by enforcing the knowledge that certain transformations on the input preserve the output. Currently, the data augmentation parameters are chosen by human effort and costly cross-validation, which makes it cumbersome to apply to new datasets. We develop a convenient gradient-based method for selecting the data augmentation without validation data during training of a deep neural network. Our approach relies on phrasing data augmentation as an invariance in the prior distribution on the functions of a neural network, which allows us to learn it using Bayesian model selection. This has been shown to work in Gaussian processes, but not yet for deep neural networks. We propose a differentiable Kronecker-factored Laplace approximation to the marginal likelihood as our objective, which can be optimised without human supervision or validation data. We show that our method can successfully recover invariances present in the data, and that this improves generalisation and data efficiency on image datasets.
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Alexander Immer, Tycho van der Ouderaa, Gunnar Rätsch, Vincent Fortuin, Mark van der Wilk
| null | null | 2,022 |
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Learning Energy Networks with Generalized Fenchel-Young Losses
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Energy-based models, a.k.a. energy networks, perform inference by optimizing an energy function, typically parametrized by a neural network. This allows one to capture potentially complex relationships between inputs andoutputs.To learn the parameters of the energy function, the solution to thatoptimization problem is typically fed into a loss function.The key challenge for training energy networks lies in computing loss gradients,as this typically requires argmin/argmax differentiation.In this paper, building upon a generalized notion of conjugate function,which replaces the usual bilinear pairing with a general energy function,we propose generalized Fenchel-Young losses, a natural loss construction forlearning energy networks. Our losses enjoy many desirable properties and theirgradients can be computed efficiently without argmin/argmax differentiation.We also prove the calibration of their excess risk in the case of linear-concaveenergies. We demonstrate our losses on multilabel classification and imitation learning tasks.
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Mathieu Blondel, Felipe Llinares-Lopez, Robert Dadashi, Leonard Hussenot, Matthieu Geist
| null | null | 2,022 |
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Teacher Forcing Recovers Reward Functions for Text Generation
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Reinforcement learning (RL) has been widely used in text generation to alleviate the exposure bias issue or to utilize non-parallel datasets. The reward function plays an important role in making RL training successful. However, previous reward functions are typically task-specific and sparse, restricting the use of RL. In our work, we propose a task-agnostic approach that derives a step-wise reward function directly from a model trained with teacher forcing. We additionally propose a simple modification to stabilize the RL training on non-parallel datasets with our induced reward function. Empirical results show that our method outperforms self-training and reward regression methods on several text generation tasks, confirming the effectiveness of our reward function.
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Yongchang Hao, Yuxin Liu, Lili Mou
| null | null | 2,022 |
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Interaction-Grounded Learning with Action-Inclusive Feedback
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Consider the problem setting of Interaction-Grounded Learning (IGL), in which a learner's goal is to optimally interact with the environment with no explicit reward to ground its policies. The agent observes a context vector, takes an action, and receives a feedback vector, using this information to effectively optimize a policy with respect to a latent reward function. Prior analyzed approaches fail when the feedback vector contains the action, which significantly limits IGL’s success in many potential scenarios such as Brain-computer interface (BCI) or Human-computer interface (HCI) applications. We address this by creating an algorithm and analysis which allows IGL to work even when the feedback vector contains the action, encoded in any fashion. We provide theoretical guarantees and large-scale experiments based on supervised datasets to demonstrate the effectiveness of the new approach.
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Tengyang Xie, Akanksha Saran, Dylan J Foster, Lekan Molu, Ida Momennejad, Nan Jiang, Paul Mineiro, John Langford
| null | null | 2,022 |
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Making Look-Ahead Active Learning Strategies Feasible with Neural Tangent Kernels
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We propose a new method for approximating active learning acquisition strategies that are based on retraining with hypothetically-labeled candidate data points. Although this is usually infeasible with deep networks, we use the neural tangent kernel to approximate the result of retraining, and prove that this approximation works asymptotically even in an active learning setup -- approximating look-ahead'' selection criteria with far less computation required. This also enables us to conduct sequential active learning, i.e.\ updating the model in a streaming regime, without needing to retrain the model with SGD after adding each new data point. Moreover, our querying strategy, which better understands how the model's predictions will change by adding new data points in comparison to the standard (myopic'') criteria, beats other look-ahead strategies by large margins, and achieves equal or better performance compared to state-of-the-art methods on several benchmark datasets in pool-based active learning.
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Mohamad Amin Mohamadi, Wonho Bae, Danica J. Sutherland
| null | null | 2,022 |
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Distributional Reward Estimation for Effective Multi-agent Deep Reinforcement Learning
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Multi-agent reinforcement learning has drawn increasing attention in practice, e.g., robotics and automatic driving, as it can explore optimal policies using samples generated by interacting with the environment. However, high reward uncertainty still remains a problem when we want to train a satisfactory model, because obtaining high-quality reward feedback is usually expensive and even infeasible. To handle this issue, previous methods mainly focus on passive reward correction. At the same time, recent active reward estimation methods have proven to be a recipe for reducing the effect of reward uncertainty. In this paper, we propose a novel Distributional Reward Estimation framework for effective Multi-Agent Reinforcement Learning (DRE-MARL). Our main idea is to design the multi-action-branch reward estimation and policy-weighted reward aggregation for stabilized training. Specifically, we design the multi-action-branch reward estimation to model reward distributions on all action branches. Then we utilize reward aggregation to obtain stable updating signals during training. Our intuition is that consideration of all possible consequences of actions could be useful for learning policies. The superiority of the DRE-MARL is demonstrated using benchmark multi-agent scenarios, compared with the SOTA baselines in terms of both effectiveness and robustness.
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Jifeng Hu, Yanchao Sun, Hechang Chen, Sili Huang, haiyin piao, Yi Chang, Lichao Sun
| null | null | 2,022 |
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Improving Policy Learning via Language Dynamics Distillation
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Recent work has shown that augmenting environments with language descriptions improves policy learning. However, for environments with complex language abstractions, learning how to ground language to observations is difficult due to sparse, delayed rewards. We propose Language Dynamics Distillation (LDD), which pretrains a model to predict environment dynamics given demonstrations with language descriptions, and then fine-tunes these language-aware pretrained representations via reinforcement learning (RL). In this way, the model is trained to both maximize expected reward and retain knowledge about how language relates to environment dynamics. On SILG, a benchmark of five tasks with language descriptions that evaluate distinct generalization challenges on unseen environments (NetHack, ALFWorld, RTFM, Messenger, and Touchdown), LDD outperforms tabula-rasa RL, VAE pretraining, and methods that learn from unlabeled demonstrations in inverse RL and reward shaping with pretrained experts. In our analyses, we show that language descriptions in demonstrations improve sample-efficiency and generalization across environments, and that dynamics modeling with expert demonstrations is more effective than with non-experts.
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Victor Zhong, Jesse Mu, Luke Zettlemoyer, Edward Grefenstette, Tim Rocktäschel
| null | null | 2,022 |
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Monte Carlo Tree Descent for Black-Box Optimization
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The key to Black-Box Optimization is to efficiently search through input regions with potentially widely-varying numerical properties, to achieve low-regret descent and fast progress toward the optima. Monte Carlo Tree Search (MCTS) methods have recently been introduced to improve Bayesian optimization by computing better partitioning of the search space that balances exploration and exploitation. Extending this promising framework, we study how to further integrate sample-based descent for faster optimization. We design novel ways of expanding Monte Carlo search trees, with new descent methods at vertices that incorporate stochastic search and Gaussian Processes. We propose the corresponding rules for balancing progress and uncertainty, branch selection, tree expansion, and backpropagation. The designed search process puts more emphasis on sampling for faster descent and uses localized Gaussian Processes as auxiliary metrics for both exploitation and exploration. We show empirically that the proposed algorithms can outperform state-of-the-art methods on many challenging benchmark problems.
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Yaoguang Zhai, Sicun Gao
| null | null | 2,022 |
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Masked Autoencoding for Scalable and Generalizable Decision Making
| null |
We are interested in learning scalable agents for reinforcement learning that can learn from large-scale, diverse sequential data similar to current large vision and language models. To this end, this paper presents masked decision prediction (MaskDP), a simple and scalable self-supervised pretraining method for reinforcement learning (RL) and behavioral cloning (BC). In our MaskDP approach, we employ a masked autoencoder (MAE) to state-action trajectories, wherein we randomly mask state and action tokens and reconstruct the missing data. By doing so, the model is required to infer masked out states and actions and extract information about dynamics. We find that masking different proportions of the input sequence significantly helps with learning a better model that generalizes well to multiple downstream tasks. In our empirical study we find that a MaskDP model gains the capability of zero-shot transfer to new BC tasks, such as single and multiple goal reaching, and it can zero-shot infer skills from a few example transitions. In addition, MaskDP transfers well to offline RL and shows promising scaling behavior w.r.t. to model size. It is amenable to data efficient finetuning, achieving competitive results with prior methods based on autoregressive pretraining.
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Fangchen Liu, Hao Liu, Aditya Grover, Pieter Abbeel
| null | null | 2,022 |
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Training Spiking Neural Networks with Local Tandem Learning
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Spiking neural networks (SNNs) are shown to be more biologically plausible and energy efficient over their predecessors. However, there is a lack of an efficient and generalized training method for deep SNNs, especially for deployment on analog computing substrates. In this paper, we put forward a generalized learning rule, termed Local Tandem Learning (LTL). The LTL rule follows the teacher-student learning approach by mimicking the intermediate feature representations of a pre-trained ANN. By decoupling the learning of network layers and leveraging highly informative supervisor signals, we demonstrate rapid network convergence within five training epochs on the CIFAR-10 dataset while having low computational complexity. Our experimental results have also shown that the SNNs thus trained can achieve comparable accuracies to their teacher ANNs on CIFAR-10, CIFAR-100, and Tiny ImageNet datasets. Moreover, the proposed LTL rule is hardware friendly. It can be easily implemented on-chip to perform fast parameter calibration and provide robustness against the notorious device non-ideality issues. It, therefore, opens up a myriad of opportunities for training and deployment of SNN on ultra-low-power mixed-signal neuromorphic computing chips.
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Qu Yang, Jibin Wu, Malu Zhang, Yansong Chua, Xinchao Wang, Haizhou Li
| null | null | 2,022 |
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ELASTIC: Numerical Reasoning with Adaptive Symbolic Compiler
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Numerical reasoning over text is a challenging task of Artificial Intelligence (AI), requiring reading comprehension and numerical reasoning abilities. Previous approaches use numerical reasoning programs to represent the reasoning process. However, most works do not separate the generation of operators and operands, which are key components of a numerical reasoning program, thus limiting their ability to generate such programs for complicated tasks. In this paper, we introduce the numEricaL reASoning with adapTive symbolIc Compiler (ELASTIC) model, which is constituted of the RoBERTa as the Encoder and a Compiler with four modules: Reasoning Manager, Operator Generator, Operands Generator, and Memory Register. ELASTIC is robust when conducting complicated reasoning. Also, it is domain agnostic by supporting the expansion of diverse operators without caring about the number of operands it contains. Experiments show that ELASTIC achieves 68.96 and 65.21 of execution accuracy and program accuracy on the FinQA dataset and 83.00 program accuracy on the MathQA dataset, outperforming previous state-of-the-art models significantly.
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Jiaxin Zhang, Yashar Moshfeghi
| null | null | 2,022 |
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FiLM: Frequency improved Legendre Memory Model for Long-term Time Series Forecasting
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Recent studies have shown that deep learning models such as RNNs and Transformers have brought significant performance gains for long-term forecasting of time series because they effectively utilize historical information. We found, however, that there is still great room for improvement in how to preserve historical information in neural networks while avoiding overfitting to noise present in the history. Addressing this allows better utilization of the capabilities of deep learning models. To this end, we design a Frequency improved Legendre Memory model, or FiLM: it applies Legendre polynomial projections to approximate historical information, uses Fourier projection to remove noise, and adds a low-rank approximation to speed up computation. Our empirical studies show that the proposed FiLM significantly improves the accuracy of state-of-the-art models in multivariate and univariate long-term forecasting by (19.2%, 22.6%), respectively. We also demonstrate that the representation module developed in this work can be used as a general plugin to improve the long-term prediction performance of other deep learning modules. Code is available at https://github.com/tianzhou2011/FiLM/.
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Tian Zhou, Ziqing MA, xue wang, Qingsong Wen, Liang Sun, Tao Yao, Wotao Yin, Rong Jin
| null | null | 2,022 |
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Scalable Neural Video Representations with Learnable Positional Features
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Succinct representation of complex signals using coordinate-based neural representations (CNRs) has seen great progress, and several recent efforts focus on extending them for handling videos. Here, the main challenge is how to (a) alleviate a compute-inefficiency in training CNRs to (b) achieve high-quality video encoding while (c) maintaining the parameter-efficiency. To meet all requirements (a), (b), and (c) simultaneously, we propose neural video representations with learnable positional features (NVP), a novel CNR by introducing "learnable positional features" that effectively amortize a video as latent codes. Specifically, we first present a CNR architecture based on designing 2D latent keyframes to learn the common video contents across each spatio-temporal axis, which dramatically improves all of those three requirements. Then, we propose to utilize existing powerful image and video codecs as a compute-/memory-efficient compression procedure of latent codes. We demonstrate the superiority of NVP on the popular UVG benchmark; compared with prior arts, NVP not only trains 2 times faster (less than 5 minutes) but also exceeds their encoding quality as 34.07$\rightarrow$34.57 (measured with the PSNR metric), even using $>$8 times fewer parameters. We also show intriguing properties of NVP, e.g., video inpainting, video frame interpolation, etc.
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Subin Kim, Sihyun Yu, Jaeho Lee, Jinwoo Shin
| null | null | 2,022 |
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Coordinates Are NOT Lonely - Codebook Prior Helps Implicit Neural 3D representations
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Implicit neural 3D representation has achieved impressive results in surface or scene reconstruction and novel view synthesis, which typically uses the coordinate-based multi-layer perceptrons (MLPs) to learn a continuous scene representation. However, existing approaches, such as Neural Radiance Field (NeRF) and its variants, usually require dense input views (i.e. 50-150) to obtain decent results. To relive the over-dependence on massive calibrated images and enrich the coordinate-based feature representation, we explore injecting the prior information into the coordinate-based network and introduce a novel coordinate-based model, CoCo-INR, for implicit neural 3D representation. The cores of our method are two attention modules: codebook attention and coordinate attention. The former extracts the useful prototypes containing rich geometry and appearance information from the prior codebook, and the latter propagates such prior information into each coordinate and enriches its feature representation for a scene or object surface. With the help of the prior information, our method can render 3D views with more photo-realistic appearance and geometries than the current methods using fewer calibrated images available. Experiments on various scene reconstruction datasets, including DTU and BlendedMVS, and the full 3D head reconstruction dataset, H3DS, demonstrate the robustness under fewer input views and fine detail-preserving capability of our proposed method.
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Fukun Yin, Wen Liu, Zilong Huang, Pei Cheng, Tao Chen, Gang Yu
| null | null | 2,022 |
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Verification and search algorithms for causal DAGs
| null |
We study two problems related to recovering causal graphs from interventional data: (i) $\textit{verification}$, where the task is to check if a purported causal graph is correct, and (ii) $\textit{search}$, where the task is to recover the correct causal graph. For both, we wish to minimize the number of interventions performed. For the first problem, we give a characterization of a minimal sized set of atomic interventions that is necessary and sufficient to check the correctness of a claimed causal graph. Our characterization uses the notion of $\textit{covered edges}$, which enables us to obtain simple proofs and also easily reason about earlier known results. We also generalize our results to the settings of bounded size interventions and node-dependent interventional costs. For all the above settings, we provide the first known provable algorithms for efficiently computing (near)-optimal verifying sets on general graphs. For the second problem, we give a simple adaptive algorithm based on graph separators that produces an atomic intervention set which fully orients any essential graph while using $\mathcal{O}(\log n)$ times the optimal number of interventions needed to $\textit{verify}$ (verifying size) the underlying DAG on $n$ vertices. This approximation is tight as $\textit{any}$ search algorithm on an essential line graph has worst case approximation ratio of $\Omega(\log n)$ with respect to the verifying size. With bounded size interventions, each of size $\leq k$, our algorithm gives an $\mathcal{O}(\log n \cdot \log k)$ factor approximation. Our result is the first known algorithm that gives a non-trivial approximation guarantee to the verifying size on general unweighted graphs and with bounded size interventions.
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Davin Choo, Kirankumar Shiragur, Arnab Bhattacharyya
| null | null | 2,022 |
neurips
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Differentially Private Linear Sketches: Efficient Implementations and Applications
| null |
Linear sketches have been widely adopted to process fast data streams, and they can be used to accurately answer frequency estimation, approximate top K items, and summarize data distributions. When data are sensitive, it is desirable to provide privacy guarantees for linear sketches to preserve private information while delivering useful results with theoretical bounds. We show that linear sketches can ensure privacy and maintain their unique properties with a small amount of noise added at initialization. From the differentially private linear sketches, we showcase that the state-of-the-art quantile sketch in the turnstile model can also be private and maintain high performance. Experiments further demonstrate that our proposed differentially private sketches are quantitatively and qualitatively similar to noise-free sketches with high utilization on synthetic and real datasets.
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Fuheng Zhao, Dan Qiao, Rachel Redberg, Divyakant Agrawal, Amr El Abbadi, Yu-Xiang Wang
| null | null | 2,022 |
neurips
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Learning Equivariant Segmentation with Instance-Unique Querying
| null |
Prevalent state-of-the-art instance segmentation methods fall into a query-based scheme, in which instance masks are derived by querying the image feature using a set of instance-aware embeddings. In this work, we devise a new training framework that boosts query-based models through discriminative query embedding learning. It explores two essential properties, namely dataset-level uniqueness and transformation equivariance, of the relation between queries and instances. First, our algorithm uses the queries to retrieve the corresponding instances from the whole training dataset, instead of only searching within individual scenes. As querying instances across scenes is more challenging, the segmenters are forced to learn more discriminative queries for effective instance separation. Second, our algorithm encourages both image (instance) representations and queries to be equivariant against geometric transformations, leading to more robust, instance-query matching. On top of four famous, query-based models (i.e., CondInst, SOLOv2, SOTR, and Mask2Former), our training algorithm provides significant performance gains (e.g., +1.6 – 3.2 AP) on COCO dataset. In addition, our algorithm promotes the performance of SOLOv2 by 2.7 AP, on LVISv1 dataset.
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Wenguan Wang, James Liang, Dongfang Liu
| null | null | 2,022 |
neurips
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Bayesian Optimization over Discrete and Mixed Spaces via Probabilistic Reparameterization
| null |
Optimizing expensive-to-evaluate black-box functions of discrete (and potentially continuous) design parameters is a ubiquitous problem in scientific and engineering applications. Bayesian optimization (BO) is a popular, sample-efficient method that leverages a probabilistic surrogate model and an acquisition function (AF) to select promising designs to evaluate. However, maximizing the AF over mixed or high-cardinality discrete search spaces is challenging standard gradient-based methods cannot be used directly or evaluating the AF at every point in the search space would be computationally prohibitive. To address this issue, we propose using probabilistic reparameterization (PR). Instead of directly optimizing the AF over the search space containing discrete parameters, we instead maximize the expectation of the AF over a probability distribution defined by continuous parameters. We prove that under suitable reparameterizations, the BO policy that maximizes the probabilistic objective is the same as that which maximizes the AF, and therefore, PR enjoys the same regret bounds as the original BO policy using the underlying AF. Moreover, our approach provably converges to a stationary point of the probabilistic objective under gradient ascent using scalable, unbiased estimators of both the probabilistic objective and its gradient. Therefore, as the number of starting points and gradient steps increase, our approach will recover of a maximizer of the AF (an often-neglected requisite for commonly used BO regret bounds). We validate our approach empirically and demonstrate state-of-the-art optimization performance on a wide range of real-world applications. PR is complementary to (and benefits) recent work and naturally generalizes to settings with multiple objectives and black-box constraints.
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Samuel Daulton, Xingchen Wan, David Eriksson, Maximilian Balandat, Michael A Osborne, Eytan Bakshy
| null | null | 2,022 |
neurips
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Learning to Constrain Policy Optimization with Virtual Trust Region
| null |
We introduce a constrained optimization method for policy gradient reinforcement learning, which uses two trust regions to regulate each policy update. In addition to using the proximity of one single old policy as the first trust region as done by prior works, we propose forming a second trust region by constructing another virtual policy that represents a wide range of past policies. We then enforce the new policy to stay closer to the virtual policy, which is beneficial if the old policy performs poorly. We propose a mechanism to automatically build the virtual policy from a memory buffer of past policies, providing a new capability for dynamically selecting appropriate trust regions during the optimization process. Our proposed method, dubbed Memory-Constrained Policy Optimization (MCPO), is examined in diverse environments, including robotic locomotion control, navigation with sparse rewards and Atari games, consistently demonstrating competitive performance against recent on-policy constrained policy gradient methods.
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Thai Hung Le, Thommen Karimpanal George, Majid Abdolshah, Dung Nguyen, Kien Do, Sunil Gupta, Svetha Venkatesh
| null | null | 2,022 |
neurips
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NeuPhysics: Editable Neural Geometry and Physics from Monocular Videos
| null |
We present a method for learning 3D geometry and physics parameters of a dynamic scene from only a monocular RGB video input. To decouple the learning of underlying scene geometry from dynamic motion, we represent the scene as a time-invariant signed distance function (SDF) which serves as a reference frame, along with a time-conditioned deformation field. We further bridge this neural geometry representation with a differentiable physics simulator by designing a two-way conversion between the neural field and its corresponding hexahedral mesh, enabling us to estimate physics parameters from the source video by minimizing a cycle consistency loss. Our method also allows a user to interactively edit 3D objects from the source video by modifying the recovered hexahedral mesh, and propagating the operation back to the neural field representation. Experiments show that our method achieves superior mesh and video reconstruction of dynamic scenes compared to competing Neural Field approaches, and we provide extensive examples which demonstrate its ability to extract useful 3D representations from videos captured with consumer-grade cameras.
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Yi-Ling Qiao, Alexander Gao, Ming Lin
| null | null | 2,022 |
neurips
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Data Augmentation MCMC for Bayesian Inference from Privatized Data
| null |
Differentially private mechanisms protect privacy by introducing additional randomness into the data. Restricting access to only the privatized data makes it challenging to perform valid statistical inference on parameters underlying the confidential data. Specifically, the likelihood function of the privatized data requires integrating over the large space of confidential databases and is typically intractable. For Bayesian analysis, this results in a posterior distribution that is doubly intractable, rendering traditional MCMC techniques inapplicable. We propose an MCMC framework to perform Bayesian inference from the privatized data, which is applicable to a wide range of statistical models and privacy mechanisms. Our MCMC algorithm augments the model parameters with the unobserved confidential data, and alternately updates each one. For the potentially challenging step of updating the confidential data, we propose a generic approach that exploits the privacy guarantee of the mechanism to ensure efficiency. We give results on the computational complexity, acceptance rate, and mixing properties of our MCMC. We illustrate the efficacy and applicability of our methods on a naïve-Bayes log-linear model and on a linear regression model.
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Nianqiao Ju, Jordan Awan, Ruobin Gong, Vinayak Rao
| null | null | 2,022 |
neurips
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Avalon: A Benchmark for RL Generalization Using Procedurally Generated Worlds
| null |
Despite impressive successes, deep reinforcement learning (RL) systems still fall short of human performance on generalization to new tasks and environments that differ from their training. As a benchmark tailored for studying RL generalization, we introduce Avalon, a set of tasks in which embodied agents in highly diverse procedural 3D worlds must survive by navigating terrain, hunting or gathering food, and avoiding hazards. Avalon is unique among existing RL benchmarks in that the reward function, world dynamics, and action space are the same for every task, with tasks differentiated solely by altering the environment; its 20 tasks, ranging in complexity from eat and throw to hunt and navigate, each create worlds in which the agent must perform specific skills in order to survive. This setup enables investigations of generalization within tasks, between tasks, and to compositional tasks that require combining skills learned from previous tasks. Avalon includes a highly efficient simulator, a library of baselines, and a benchmark with scoring metrics evaluated against hundreds of hours of human performance, all of which are open-source and publicly available. We find that standard RL baselines make progress on most tasks but are still far from human performance, suggesting Avalon is challenging enough to advance the quest for generalizable RL.
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Joshua Albrecht, Abraham Fetterman, Bryden Fogelman, Ellie Kitanidis, Bartosz Wróblewski, Nicole Seo, Michael Rosenthal, Maksis Knutins, Zack Polizzi, James Simon, Kanjun Qiu
| null | null | 2,022 |
neurips
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Causally motivated multi-shortcut identification and removal
| null |
For predictive models to provide reliable guidance in decision making processes, they are often required to be accurate and robust to distribution shifts. Shortcut learning--where a model relies on spurious correlations or shortcuts to predict the target label--undermines the robustness property, leading to models with poor out-of-distribution accuracy despite good in-distribution performance. Existing work on shortcut learning either assumes that the set of possible shortcuts is known a priori or is discoverable using interpretability methods such as saliency maps, which might not always be true. Instead, we propose a two step approach to (1) efficiently identify relevant shortcuts, and (2) leverage the identified shortcuts to build models that are robust to distribution shifts. Our approach relies on having access to a (possibly) high dimensional set of auxiliary labels at training time, some of which correspond to possible shortcuts. We show both theoretically and empirically that our approach is able to identify a sufficient set of shortcuts leading to more efficient predictors in finite samples.
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Jiayun Zheng, Maggie Makar
| null | null | 2,022 |
neurips
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Sampling from Log-Concave Distributions with Infinity-Distance Guarantees
| null |
For a $d$-dimensional log-concave distribution $\pi(\theta) \propto e^{-f(\theta)}$ constrained to a convex body $K$, the problem of outputting samples from a distribution $\nu$ which is $\varepsilon$-close in infinity-distance $\sup_{\theta \in K} |\log \frac{\nu(\theta)}{\pi(\theta)}|$ to $\pi$ arises in differentially private optimization. While sampling within total-variation distance $\varepsilon$ of $\pi$ can be done by algorithms whose runtime depends polylogarithmically on $\frac{1}{\varepsilon}$, prior algorithms for sampling in $\varepsilon$ infinity distance have runtime bounds that depend polynomially on $\frac{1}{\varepsilon}$. We bridge this gap by presenting an algorithm that outputs a point $\varepsilon$-close to $\pi$ in infinity distance that requires at most $\mathrm{poly}(\log \frac{1}{\varepsilon}, d)$ calls to a membership oracle for $K$ and evaluation oracle for $f$, when $f$ is Lipschitz. Our approach departs from prior works that construct Markov chains on a $\frac{1}{\varepsilon^2}$-discretization of $K$ to achieve a sample with $\varepsilon$ infinity-distance error, and present a method to directly convert continuous samples from $K$ with total-variation bounds to samples with infinity bounds. This approach also allows us to obtain an improvement on the dimension $d$ in the running time for the problem of sampling from a log-concave distribution on polytopes $K$ with infinity distance $\varepsilon$, by plugging in TV-distance running time bounds for the Dikin Walk Markov chain.
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Oren Mangoubi, Nisheeth Vishnoi
| null | null | 2,022 |
neurips
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ZARTS: On Zero-order Optimization for Neural Architecture Search
| null |
Differentiable architecture search (DARTS) has been a popular one-shot paradigm for NAS due to its high efficiency. It introduces trainable architecture parameters to represent the importance of candidate operations and proposes first/second-order approximation to estimate their gradients, making it possible to solve NAS by gradient descent algorithm. However, our in-depth empirical results show that the approximation often distorts the loss landscape, leading to the biased objective to optimize and, in turn, inaccurate gradient estimation for architecture parameters. This work turns to zero-order optimization and proposes a novel NAS scheme, called ZARTS, to search without enforcing the above approximation. Specifically, three representative zero-order optimization methods are introduced: RS, MGS, and GLD, among which MGS performs best by balancing the accuracy and speed. Moreover, we explore the connections between RS/MGS and gradient descent algorithm and show that our ZARTS can be seen as a robust gradient-free counterpart to DARTS. Extensive experiments on multiple datasets and search spaces show the remarkable performance of our method. In particular, results on 12 benchmarks verify the outstanding robustness of ZARTS, where the performance of DARTS collapses due to its known instability issue. Also, we search on the search space of DARTS to compare with peer methods, and our discovered architecture achieves 97.54\% accuracy on CIFAR-10 and 75.7\% top-1 accuracy on ImageNet. Finally, we combine our ZARTS with three orthogonal variants of DARTS for faster search speed and better performance. Source code will be made publicly available at: \url{https://github.com/vicFigure/ZARTS}.
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Xiaoxing Wang, Wenxuan Guo, Jianlin Su, Xiaokang Yang, Junchi Yan
| null | null | 2,022 |
neurips
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Make Some Noise: Reliable and Efficient Single-Step Adversarial Training
| null |
Recently, Wong et al. (2020) showed that adversarial training with single-step FGSM leads to a characteristic failure mode named catastrophic overfitting (CO), in which a model becomes suddenly vulnerable to multi-step attacks. Experimentally they showed that simply adding a random perturbation prior to FGSM (RS-FGSM) could prevent CO. However, Andriushchenko & Flammarion (2020) observed that RS-FGSM still leads to CO for larger perturbations, and proposed a computationally expensive regularizer (GradAlign) to avoid it. In this work, we methodically revisit the role of noise and clipping in single-step adversarial training. Contrary to previous intuitions, we find that using a stronger noise around the clean sample combined with \textit{not clipping} is highly effective in avoiding CO for large perturbation radii. We then propose Noise-FGSM (N-FGSM) that, while providing the benefits of single-step adversarial training, does not suffer from CO. Empirical analyses on a large suite of experiments show that N-FGSM is able to match or surpass the performance of previous state of-the-art GradAlign while achieving 3$\times$ speed-up.
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Pau de Jorge Aranda, Adel Bibi, Riccardo Volpi, Amartya Sanyal, Philip Torr, Gregory Rogez, Puneet Dokania
| null | null | 2,022 |
neurips
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The Dollar Street Dataset: Images Representing the Geographic and Socioeconomic Diversity of the World
| null |
It is crucial that image datasets for computer vision are representative and contain accurate demographic information to ensure their robustness and fairness, especially for smaller subpopulations. To address this issue, we present Dollar Street - a supervised dataset that contains 38,479 images of everyday household items from homes around the world. This dataset was manually curated and fully labeled, including tags for objects (e.g. “toilet,” “toothbrush,” “stove”) and demographic data such as region, country and home monthly income. This dataset includes images from homes with no internet access and incomes as low as \$26.99 per month, visually capturing valuable socioeconomic diversity of traditionally under-represented populations. All images and data are licensed under CC-BY, permitting their use in academic and commercial work. Moreover, we show that this dataset can improve the performance of classification tasks for images of household items from lower income homes, addressing a critical need for datasets that combat bias.
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William Gaviria Rojas, Sudnya Diamos, Keertan Kini, David Kanter, Vijay Janapa Reddi, Cody Coleman
| null | null | 2,022 |
neurips
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EfficientFormer: Vision Transformers at MobileNet Speed
| null |
Vision Transformers (ViT) have shown rapid progress in computer vision tasks, achieving promising results on various benchmarks. However, due to the massive number of parameters and model design, e.g., attention mechanism, ViT-based models are generally times slower than lightweight convolutional networks. Therefore, the deployment of ViT for real-time applications is particularly challenging, especially on resource-constrained hardware such as mobile devices. Recent efforts try to reduce the computation complexity of ViT through network architecture search or hybrid design with MobileNet block, yet the inference speed is still unsatisfactory. This leads to an important question: can transformers run as fast as MobileNet while obtaining high performance? To answer this, we first revisit the network architecture and operators used in ViT-based models and identify inefficient designs. Then we introduce a dimension-consistent pure transformer (without MobileNet blocks) as a design paradigm. Finally, we perform latency-driven slimming to get a series of final models dubbed EfficientFormer. Extensive experiments show the superiority of EfficientFormer in performance and speed on mobile devices. Our fastest model, EfficientFormer-L1, achieves $79.2\%$ top-1 accuracy on ImageNet-1K with only $1.6$ ms inference latency on iPhone 12 (compiled with CoreML), which runs as fast as MobileNetV2$\times 1.4$ ($1.6$ ms, $74.7\%$ top-1), and our largest model, EfficientFormer-L7, obtains $83.3\%$ accuracy with only $7.0$ ms latency. Our work proves that properly designed transformers can reach extremely low latency on mobile devices while maintaining high performance.
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Yanyu Li, Geng Yuan, Yang Wen, Ju Hu, Georgios Evangelidis, Sergey Tulyakov, Yanzhi Wang, Jian Ren
| null | null | 2,022 |
neurips
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Measuring Data Reconstruction Defenses in Collaborative Inference Systems
| null |
The collaborative inference systems are designed to speed up the prediction processes in edge-cloud scenarios, where the local devices and the cloud system work together to run a complex deep-learning model. However, those edge-cloud collaborative inference systems are vulnerable to emerging reconstruction attacks, where malicious cloud service providers are able to recover the edge-side users’ private data. To defend against such attacks, several defense countermeasures have been recently introduced. Unfortunately, little is known about the robustness of those defense countermeasures. In this paper, we take the first step towards measuring the robustness of those state-of-the-art defenses with respect to reconstruction attacks. Specifically, we show that the latent privacy features are still retained in the obfuscated representations. Motivated by such an observation, we design a technology called Sensitive Feature Distillation (SFD) to restore sensitive information from the protected feature representations. Our experiments show that SFD can break through defense mechanisms in model partitioning scenarios, demonstrating the inadequacy of existing defense mechanisms as a privacy-preserving technique against reconstruction attacks. We hope our findings inspire further work in improving the robustness of defense mechanisms against reconstruction attacks for collaborative inference systems.
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Mengda Yang, Ziang Li, Juan Wang, Hongxin Hu, Ao Ren, Xiaoyang Xu, Wenzhe Yi
| null | null | 2,022 |
neurips
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Unlabelled Sample Compression Schemes for Intersection-Closed Classes and Extremal Classes
| null |
The sample compressibility of concept classes plays an important role in learning theory, as a sufficient condition for PAC learnability, and more recently as an avenue for robust generalisation in adaptive data analysis. Whether compression schemes of size $O(d)$ must necessarily exist for all classes of VC dimension $d$ is unknown, but conjectured to be true by Warmuth. Recently Chalopin, Chepoi, Moran, and Warmuth (2018) gave a beautiful unlabelled sample compression scheme of size VC dimension for all maximum classes: classes that meet the Sauer-Shelah-Perles Lemma with equality. They also offered a counterexample to compression schemes based on a promising approach known as corner peeling. In this paper we simplify and extend their proof technique to deal with so-called extremal classes of VC dimension $d$ which contain maximum classes of VC dimension $d-1$. A criterion is given which would imply that all extremal classes admit unlabelled compression schemes of size $d$. We also prove that all intersection-closed classes with VC dimension $d$ admit unlabelled compression schemes of size at most $11d$.
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Joachim Rubinstein, Benjamin Rubinstein
| null | null | 2,022 |
neurips
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Decision-based Black-box Attack Against Vision Transformers via Patch-wise Adversarial Removal
| null |
Vision transformers (ViTs) have demonstrated impressive performance and stronger adversarial robustness compared to Convolutional Neural Networks (CNNs). On the one hand, ViTs' focus on global interaction between individual patches reduces the local noise sensitivity of images. On the other hand, the neglect of noise sensitivity differences between image regions by existing decision-based attacks further compromises the efficiency of noise compression, especially for ViTs. Therefore, validating the black-box adversarial robustness of ViTs when the target model can only be queried still remains a challenging problem. In this paper, we theoretically analyze the limitations of existing decision-based attacks from the perspective of noise sensitivity difference between regions of the image, and propose a new decision-based black-box attack against ViTs, termed Patch-wise Adversarial Removal (PAR). PAR divides images into patches through a coarse-to-fine search process and compresses the noise on each patch separately. PAR records the noise magnitude and noise sensitivity of each patch and selects the patch with the highest query value for noise compression. In addition, PAR can be used as a noise initialization method for other decision-based attacks to improve the noise compression efficiency on both ViTs and CNNs without introducing additional calculations. Extensive experiments on three datasets demonstrate that PAR achieves a much lower noise magnitude with the same number of queries.
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Yucheng Shi, Yahong Han, Yu-an Tan, Xiaohui Kuang
| null | null | 2,022 |
neurips
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Holomorphic Equilibrium Propagation Computes Exact Gradients Through Finite Size Oscillations
| null |
Equilibrium propagation (EP) is an alternative to backpropagation (BP) that allows the training of deep neural networks with local learning rules. It thus provides a compelling framework for training neuromorphic systems and understanding learning in neurobiology. However, EP requires infinitesimal teaching signals, thereby limiting its applicability to noisy physical systems. Moreover, the algorithm requires separate temporal phases and has not been applied to large-scale problems. Here we address these issues by extending EP to holomorphic networks. We show analytically that this extension naturally leads to exact gradients for finite-amplitude teaching signals. Importantly, the gradient can be computed as the first Fourier coefficient from finite neuronal activity oscillations in continuous time without requiring separate phases. Further, we demonstrate in numerical simulations that our approach permits robust estimation of gradients in the presence of noise and that deeper models benefit from the finite teaching signals. Finally, we establish the first benchmark for EP on the ImageNet $32 \times 32$ dataset and show that it matches the performance of an equivalent network trained with BP. Our work provides analytical insights that enable scaling EP to large-scale problems and establishes a formal framework for how oscillations could support learning in biological and neuromorphic systems.
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Axel Laborieux, Friedemann Zenke
| null | null | 2,022 |
neurips
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Structural Pruning via Latency-Saliency Knapsack
| null |
Structural pruning can simplify network architecture and improve inference speed. We propose Hardware-Aware Latency Pruning (HALP) that formulates structural pruning as a global resource allocation optimization problem, aiming at maximizing the accuracy while constraining latency under a predefined budget on targeting device. For filter importance ranking, HALP leverages latency lookup table to track latency reduction potential and global saliency score to gauge accuracy drop. Both metrics can be evaluated very efficiently during pruning, allowing us to reformulate global structural pruning under a reward maximization problem given target constraint. This makes the problem solvable via our augmented knapsack solver, enabling HALP to surpass prior work in pruning efficacy and accuracy-efficiency trade-off. We examine HALP on both classification and detection tasks, over varying networks, on ImageNet and VOC datasets, on different platforms. In particular, for ResNet-50/-101 pruning on ImageNet, HALP improves network throughput by $1.60\times$/$1.90\times$ with $+0.3\%$/$-0.2\%$ top-1 accuracy changes, respectively. For SSD pruning on VOC, HALP improves throughput by $1.94\times$ with only a $0.56$ mAP drop. HALP consistently outperforms prior art, sometimes by large margins. Project page at \url{https://halp-neurips.github.io/}.
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Maying Shen, Hongxu Yin, Pavlo Molchanov, Lei Mao, Jianna Liu, Jose M. Alvarez
| null | null | 2,022 |
neurips
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LST: Ladder Side-Tuning for Parameter and Memory Efficient Transfer Learning
| null |
Fine-tuning large pre-trained models on downstream tasks has been adopted in a variety of domains recently. However, it is costly to update the entire parameter set of large pre-trained models. Although recently proposed parameter-efficient transfer learning (PETL) techniques allow updating a small subset of parameters (e.g. only using 2% of parameters) inside a pre-trained backbone network for a new task, they only reduce the training memory requirement by up to 30%. This is because the gradient computation for the trainable parameters still requires back-propagation through the large pre-trained backbone model. To address this, we propose Ladder Side-Tuning (LST), a new PETL technique that can reduce training memory requirements by more substantial amounts. Unlike existing parameter-efficient methods that insert additional parameters inside backbone networks, we train a ladder side network, a small and separate network that takes intermediate activations as input via shortcut connections (ladders) from backbone networks and makes predictions. LST has significantly lower memory requirements than previous methods, because it does not require back-propagation through the backbone network, but instead only through the side network and ladder connections. We evaluate our method with various models (T5 and CLIP-T5) on both natural language processing (GLUE) and vision-and-language (VQA, GQA, NLVR2, MSCOCO) tasks. LST saves 69% of the memory costs to fine-tune the whole network, while other methods only save 26% of that in similar parameter usages (hence, 2.7x more memory savings). Moreover, LST achieves higher accuracy than Adapter and LoRA in a low-memory regime. To further show the advantage of this better memory efficiency, we also apply LST to larger T5 models (T5-large, T5-3B), attaining better GLUE performance than full fine-tuning and other PETL methods. The trend also holds in the experiments on vision-and-language tasks, where LST achieves similar accuracy to other PETL methods when training a similar number of parameters while also having 2.7x more memory savings. Our code is available at: https://github.com/ylsung/Ladder-Side-Tuning.
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Yi-Lin Sung, Jaemin Cho, Mohit Bansal
| null | null | 2,022 |
neurips
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Risk Bounds of Multi-Pass SGD for Least Squares in the Interpolation Regime
| null |
Stochastic gradient descent (SGD) has achieved great success due to its superior performance in both optimization and generalization. Most of existing generalization analyses are made for single-pass SGD, which is a less practical variant compared to the commonly-used multi-pass SGD. Besides, theoretical analyses for multi-pass SGD often concern a worst-case instance in a class of problems, which may be pessimistic to explain the superior generalization ability for some particular problem instance. The goal of this paper is to provide an instance-dependent excess risk bound of multi-pass SGD for least squares in the interpolation regime, which is expressed as a function of the iteration number, stepsize, and data covariance. We show that the excess risk of SGD can be exactly decomposed into the excess risk of GD and a positive fluctuation error, suggesting that SGD always performs worse, instance-wisely, than GD, in generalization. On the other hand, we show that although SGD needs more iterations than GD to achieve the same level of excess risk, it saves the number of stochastic gradient evaluations, and therefore is preferable in terms of computational time.
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Difan Zou, Jingfeng Wu, Vladimir Braverman, Quanquan Gu, Sham Kakade
| null | null | 2,022 |
neurips
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Selective compression learning of latent representations for variable-rate image compression
| null |
Recently, many neural network-based image compression methods have shown promising results superior to the existing tool-based conventional codecs. However, most of them are often trained as separate models for different target bit rates, thus increasing the model complexity. Therefore, several studies have been conducted for learned compression that supports variable rates with single models, but they require additional network modules, layers, or inputs that often lead to complexity overhead, or do not provide sufficient coding efficiency. In this paper, we firstly propose a selective compression method that partially encodes the latent representations in a fully generalized manner for deep learning-based variable-rate image compression. The proposed method adaptively determines essential representation elements for compression of different target quality levels. For this, we first generate a 3D importance map as the nature of input content to represent the underlying importance of the representation elements. The 3D importance map is then adjusted for different target quality levels using importance adjustment curves. The adjusted 3D importance map is finally converted into a 3D binary mask to determine the essential representation elements for compression. The proposed method can be easily integrated with the existing compression models with a negligible amount of overhead increase. Our method can also enable continuously variable-rate compression via simple interpolation of the importance adjustment curves among different quality levels. The extensive experimental results show that the proposed method can achieve comparable compression efficiency as those of the separately trained reference compression models and can reduce decoding time owing to the selective compression.
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Jooyoung Lee, Seyoon Jeong, Munchurl Kim
| null | null | 2,022 |
neurips
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Emergent Graphical Conventions in a Visual Communication Game
| null |
Humans communicate with graphical sketches apart from symbolic languages. Primarily focusing on the latter, recent studies of emergent communication overlook the sketches; they do not account for the evolution process through which symbolic sign systems emerge in the trade-off between iconicity and symbolicity. In this work, we take the very first step to model and simulate this process via two neural agents playing a visual communication game; the sender communicates with the receiver by sketching on a canvas. We devise a novel reinforcement learning method such that agents are evolved jointly towards successful communication and abstract graphical conventions. To inspect the emerged conventions, we define three key properties -- iconicity, symbolicity, and semanticity -- and design evaluation methods accordingly. Our experimental results under different controls are consistent with the observation in studies of human graphical conventions. Of note, we find that evolved sketches can preserve the continuum of semantics under proper environmental pressures. More interestingly, co-evolved agents can switch between conventionalized and iconic communication based on their familiarity with referents. We hope the present research can pave the path for studying emergent communication with the modality of sketches.
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Shuwen Qiu, Sirui Xie, Lifeng Fan, Tao Gao, Jungseock Joo, Song-Chun Zhu, Yixin Zhu
| null | null | 2,022 |
neurips
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Causal Inference with Non-IID Data using Linear Graphical Models
| null |
Traditional causal inference techniques assume data are independent and identically distributed (IID) and thus ignores interactions among units. However, a unit’s treatment may affect another unit's outcome (interference), a unit’s treatment may be correlated with another unit’s outcome, or a unit’s treatment and outcome may be spuriously correlated through another unit. To capture such nuances, we model the data generating process using causal graphs and conduct a systematic analysis of the bias caused by different types of interactions when computing causal effects. We derive theorems to detect and quantify the interaction bias, and derive conditions under which it is safe to ignore interactions. Put differently, we present conditions under which causal effects can be computed with negligible bias by assuming that samples are IID. Furthermore, we develop a method to eliminate bias in cases where blindly assuming IID is expected to yield a significantly biased estimate. Finally, we test the coverage and performance of our methods through simulations.
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Chi Zhang, Karthika Mohan, Judea Pearl
| null | null | 2,022 |
neurips
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Repairing Neural Networks by Leaving the Right Past Behind
| null |
Prediction failures of machine learning models often arise from deficiencies in training data, such as incorrect labels, outliers, and selection biases. However, such data points that are responsible for a given failure mode are generally not known a priori, let alone a mechanism for repairing the failure. This work draws on the Bayesian view of continual learning, and develops a generic framework for both, identifying training examples which have given rise to the target failure, and fixing the model through erasing information about them. This framework naturally allows leveraging recent advances in continual learning to this new problem of model repairment, while subsuming the existing works on influence functions and data deletion as specific instances. Experimentally, the proposed approach outperforms the baselines for both identification of detrimental training data and fixing model failures in a generalisable manner.
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Ryutaro Tanno, Melanie F. Pradier, Aditya Nori, Yingzhen Li
| null | null | 2,022 |
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CGLB: Benchmark Tasks for Continual Graph Learning
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Continual learning on graph data, which aims to accommodate new tasks over newly emerged graph data while maintaining the model performance over existing tasks, is attracting increasing attention from the community. Unlike continual learning on Euclidean data ($\textit{e.g.}$, images, texts, etc.) that has established benchmarks and unified experimental settings, benchmark tasks are rare for Continual Graph Learning (CGL). Moreover, due to the variety of graph data and its complex topological structures, existing works adopt different protocols to configure datasets and experimental settings. This creates a great obstacle to compare different techniques and thus hinders the development of CGL. To this end, we systematically study the task configurations in different application scenarios and develop a comprehensive Continual Graph Learning Benchmark (CGLB) curated from different public datasets. Specifically, CGLB contains both node-level and graph-level continual graph learning tasks under task-incremental (currently widely adopted) and class-incremental (more practical, challenging, yet underexplored) settings, as well as a toolkit for training, evaluating, and visualizing different CGL methods. Within CGLB, we also systematically explain the difference among these task configurations by comparing them to classical continual learning settings. Finally, we comprehensively compare state-of-the-art baselines on CGLB to investigate their effectiveness. Given CGLB and the developed toolkit, the barrier to exploring CGL has been greatly lowered and researchers can focus more on the model development without worrying about tedious work on pre-processing of datasets or encountering unseen pitfalls. The benchmark and the toolkit are available through https://github.com/QueuQ/CGLB.
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Xikun Zhang, Dongjin Song, Dacheng Tao
| null | null | 2,022 |
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Learning Substructure Invariance for Out-of-Distribution Molecular Representations
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Molecule representation learning (MRL) has been extensively studied and current methods have shown promising power for various tasks, e.g., molecular property prediction and target identification. However, a common hypothesis of existing methods is that either the model development or experimental evaluation is mostly based on i.i.d. data across training and testing. Such a hypothesis can be violated in real-world applications where testing molecules could come from new environments, bringing about serious performance degradation or unexpected prediction. We propose a new representation learning framework entitled MoleOOD to enhance the robustness of MRL models against such distribution shifts, motivated by an observation that the (bio)chemical properties of molecules are usually invariantly associated with certain privileged molecular substructures across different environments (e.g., scaffolds, sizes, etc.). Specifically, We introduce an environment inference model to identify the latent factors that impact data generation from different distributions in a fully data-driven manner. We also propose a new learning objective to guide the molecule encoder to leverage environment-invariant substructures that more stably relate with the labels across environments. Extensive experiments on ten real-world datasets demonstrate that our model has a stronger generalization ability than existing methods under various out-of-distribution (OOD) settings, despite the absence of manual specifications of environments. Particularly, our method achieves up to 5.9\% and 3.9\% improvement over the strongest baselines on OGB and DrugOOD benchmarks in terms of ROC-AUC, respectively. Our source code is publicly available at \url{https://github.com/yangnianzu0515/MoleOOD}.
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Nianzu Yang, Kaipeng Zeng, Qitian Wu, Xiaosong Jia, Junchi Yan
| null | null | 2,022 |
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Single-Stage Visual Relationship Learning using Conditional Queries
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Research in scene graph generation (SGG) usually considers two-stage models, that is, detecting a set of entities, followed by combining them and labeling all possible relationships. While showing promising results, the pipeline structure induces large parameter and computation overhead, and typically hinders end-to-end optimizations. To address this, recent research attempts to train single-stage models that are more computationally efficient. With the advent of DETR, a set-based detection model, one-stage models attempt to predict a set of subject-predicate-object triplets directly in a single shot. However, SGG is inherently a multi-task learning problem that requires modeling entity and predicate distributions simultaneously. In this paper, we propose Transformers with conditional queries for SGG, namely, TraCQ with a new formulation for SGG that avoids the multi-task learning problem and the combinatorial entity pair distribution. We employ a DETR-based encoder-decoder design and leverage conditional queries to significantly reduce the entity label space as well, which leads to 20% fewer parameters compared to state-of-the-art one-stage models. Experimental results show that TraCQ not only outperforms existing single-stage scene graph generation methods, it also beats state-of-the-art two-stage methods on the Visual Genome dataset, yet is capable of end-to-end training and faster inference.
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Alakh Desai, Tz-Ying Wu, Subarna Tripathi, Nuno Vasconcelos
| null | null | 2,022 |
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Pre-Trained Image Encoder for Generalizable Visual Reinforcement Learning
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Learning generalizable policies that can adapt to unseen environments remains challenging in visual Reinforcement Learning (RL). Existing approaches try to acquire a robust representation via diversifying the appearances of in-domain observations for better generalization. Limited by the specific observations of the environment, these methods ignore the possibility of exploring diverse real-world image datasets. In this paper, we investigate how a visual RL agent would benefit from the off-the-shelf visual representations. Surprisingly, we find that the early layers in an ImageNet pre-trained ResNet model could provide rather generalizable representations for visual RL. Hence, we propose Pre-trained Image Encoder for Generalizable visual reinforcement learning (PIE-G), a simple yet effective framework that can generalize to the unseen visual scenarios in a zero-shot manner. Extensive experiments are conducted on DMControl Generalization Benchmark, DMControl Manipulation Tasks, Drawer World, and CARLA to verify the effectiveness of PIE-G. Empirical evidence suggests PIE-G improves sample efficiency and significantly outperforms previous state-of-the-art methods in terms of generalization performance. In particular, PIE-G boasts a 55% generalization performance gain on average in the challenging video background setting. Project Page: https://sites.google.com/view/pie-g/home.
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Zhecheng Yuan, Zhengrong Xue, Bo Yuan, Xueqian Wang, YI WU, Yang Gao, Huazhe Xu
| null | null | 2,022 |
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Amortized Inference for Causal Structure Learning
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Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici
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Lars Lorch, Scott Sussex, Jonas Rothfuss, Andreas Krause, Bernhard Schölkopf
| null | null | 2,022 |
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Increasing Confidence in Adversarial Robustness Evaluations
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Hundreds of defenses have been proposed to make deep neural networks robust against minimal (adversarial) input perturbations. However, only a handful of these defenses held up their claims because correctly evaluating robustness is extremely challenging: Weak attacks often fail to find adversarial examples even if they unknowingly exist, thereby making a vulnerable network look robust. In this paper, we propose a test to identify weak attacks and, thus, weak defense evaluations. Our test slightly modifies a neural network to guarantee the existence of an adversarial example for every sample. Consequentially, any correct attack must succeed in breaking this modified network. For eleven out of thirteen previously-published defenses, the original evaluation of the defense fails our test, while stronger attacks that break these defenses pass it. We hope that attack unit tests - such as ours - will be a major component in future robustness evaluations and increase confidence in an empirical field that is currently riddled with skepticism.
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Roland S. Zimmermann, Wieland Brendel, Florian Tramer, Nicholas Carlini
| null | null | 2,022 |
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VCT: A Video Compression Transformer
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We show how transformers can be used to vastly simplify neural video compression. Previous methods have been relying on an increasing number of architectural biases and priors, including motion prediction and warping operations, resulting in complex models. Instead, we independently map input frames to representations and use a transformer to model their dependencies, letting it predict the distribution of future representations given the past. The resulting video compression transformer outperforms previous methods on standard video compression data sets. Experiments on synthetic data show that our model learns to handle complex motion patterns such as panning, blurring and fading purely from data. Our approach is easy to implement, and we release code to facilitate future research.
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Fabian Mentzer, George D Toderici, David Minnen, Sergi Caelles, Sung Jin Hwang, Mario Lucic, Eirikur Agustsson
| null | null | 2,022 |
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Amortized Inference for Heterogeneous Reconstruction in Cryo-EM
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Cryo-electron microscopy (cryo-EM) is an imaging modality that provides unique insights into the dynamics of proteins and other building blocks of life. The algorithmic challenge of jointly estimating the poses, 3D structure, and conformational heterogeneity of a biomolecule from millions of noisy and randomly oriented 2D projections in a computationally efficient manner, however, remains unsolved. Our method, cryoFIRE, performs ab initio heterogeneous reconstruction with unknown poses in an amortized framework, thereby avoiding the computationally expensive step of pose search while enabling the analysis of conformational heterogeneity. Poses and conformation are jointly estimated by an encoder while a physics-based decoder aggregates the images into an implicit neural representation of the conformational space. We show that our method can provide one order of magnitude speedup on datasets containing millions of images, without any loss of accuracy. We validate that the joint estimation of poses and conformations can be amortized over the size of the dataset. For the first time, we prove that an amortized method can extract interpretable dynamic information from experimental datasets.
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Axel Levy, Gordon Wetzstein, Julien N.P Martel, Frederic Poitevin, Ellen Zhong
| null | null | 2,022 |
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Learning Symmetric Rules with SATNet
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SATNet is a differentiable constraint solver with a custom backpropagation algorithm, which can be used as a layer in a deep-learning system. It is a promising proposal for bridging deep learning and logical reasoning. In fact, SATNet has been successfully applied to learn, among others, the rules of a complex logical puzzle, such as Sudoku, just from input and output pairs where inputs are given as images. In this paper, we show how to improve the learning of SATNet by exploiting symmetries in the target rules of a given but unknown logical puzzle or more generally a logical formula. We present SymSATNet, a variant of SATNet that translates the given symmetries of the target rules to a condition on the parameters of SATNet and requires that the parameters should have a particular parametric form that guarantees the condition. The requirement dramatically reduces the number of parameters to learn for the rules with enough symmetries, and makes the parameter learning of SymSATNet much easier than that of SATNet. We also describe a technique for automatically discovering symmetries of the target rules from examples. Our experiments with Sudoku and Rubik's cube show the substantial improvement of SymSATNet over the baseline SATNet.
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Sangho Lim, Eun-Gyeol Oh, Hongseok Yang
| null | null | 2,022 |
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Shield Decentralization for Safe Multi-Agent Reinforcement Learning
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Learning safe solutions is an important but challenging problem in multi-agent reinforcement learning (MARL). Shielded reinforcement learning is one approach for preventing agents from choosing unsafe actions. Current shielded reinforcement learning methods for MARL make strong assumptions about communication and full observability. In this work, we extend the formalization of the shielded reinforcement learning problem to a decentralized multi-agent setting. We then present an algorithm for decomposition of a centralized shield, allowing shields to be used in such decentralized, communication-free environments. Our results show that agents equipped with decentralized shields perform comparably to agents with centralized shields in several tasks, allowing shielding to be used in environments with decentralized training and execution for the first time.
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Daniel Melcer, Christopher Amato, Stavros Tripakis
| null | null | 2,022 |
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Multi-LexSum: Real-world Summaries of Civil Rights Lawsuits at Multiple Granularities
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With the advent of large language models, methods for abstractive summarization have made great strides, creating potential for use in applications to aid knowledge workers processing unwieldy document collections. One such setting is the Civil Rights Litigation Clearinghouse (CRLC, https://clearinghouse.net), which posts information about large-scale civil rights lawsuits, serving lawyers, scholars, and the general public. Today, summarization in the CRLC requires extensive training of lawyers and law students who spend hours per case understanding multiple relevant documents in order to produce high-quality summaries of key events and outcomes. Motivated by this ongoing real-world summarization effort, we introduce Multi-LexSum, a collection of 9,280 expert-authored summaries drawn from ongoing CRLC writing. Multi-LexSum presents a challenging multi-document summarization task given the length of the source documents, often exceeding two hundred pages per case. Furthermore, Multi-LexSum is distinct from other datasets in its multiple target summaries, each at a different granularity (ranging from one-sentence "extreme" summaries to multi-paragraph narrations of over five hundred words). We present extensive analysis demonstrating that despite the high-quality summaries in the training data (adhering to strict content and style guidelines), state-of-the-art summarization models perform poorly on this task. We release Multi-LexSum for further summarization research and to facilitate the development of applications to assist in the CRLC's mission at https://multilexsum.github.io.
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Zejiang Shen, Kyle Lo, Lauren Yu, Nathan Dahlberg, Margo Schlanger, Doug Downey
| null | null | 2,022 |
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Data-Driven Offline Decision-Making via Invariant Representation Learning
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The goal in offline data-driven decision-making is synthesize decisions that optimize a black-box utility function, using a previously-collected static dataset, with no active interaction. These problems appear in many forms: offline reinforcement learning (RL), where we must produce actions that optimize the long-term reward, bandits from logged data, where the goal is to determine the correct arm, and offline model-based optimization (MBO) problems, where we must find the optimal design provided access to only a static dataset. A key challenge in all these settings is distributional shift: when we optimize with respect to the input into a model trained from offline data, it is easy to produce an out-of-distribution (OOD) input that appears erroneously good. In contrast to prior approaches that utilize pessimism or conservatism to tackle this problem, in this paper, we formulate offline data-driven decision-making as domain adaptation, where the goal is to make accurate predictions for the value of optimized decisions (“target domain”), when training only on the dataset (“source domain”). This perspective leads to invariant objective models (IOM), our approach for addressing distributional shift by enforcing invariance between the learned representations of the training dataset and optimized decisions. In IOM, if the optimized decisions are too different from the training dataset, the representation will be forced to lose much of the information that distinguishes good designs from bad ones, making all choices seem mediocre. Critically, when the optimizer is aware of this representational tradeoff, it should choose not to stray too far from the training distribution, leading to a natural trade-off between distributional shift and learning performance.
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Han Qi, Yi Su, Aviral Kumar, Sergey Levine
| null | null | 2,022 |
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Eliciting Thinking Hierarchy without a Prior
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When we use the wisdom of the crowds, we usually rank the answers according to their popularity, especially when we cannot verify the answers. However, this can be very dangerous when the majority make systematic mistakes. A fundamental question arises: can we build a hierarchy among the answers without any prior where the higher-ranking answers, which may not be supported by the majority, are from more sophisticated people? To address the question, we propose 1) a novel model to describe people's thinking hierarchy; 2) two algorithms to learn the thinking hierarchy without any prior; 3) a novel open-response based crowdsourcing approach based on the above theoretic framework. In addition to theoretic justifications, we conduct four empirical crowdsourcing studies and show that a) the accuracy of the top-ranking answers learned by our approach is much higher than that of plurality voting (In one question, the plurality answer is supported by 74 respondents but the correct answer is only supported by 3 respondents. Our approach ranks the correct answer the highest without any prior); b) our model has a high goodness-of-fit, especially for the questions where our top-ranking answer is correct. To the best of our knowledge, we are the first to propose a thinking hierarchy model with empirical validations in the general problem-solving scenarios; and the first to propose a practical open-response-based crowdsourcing approach that beats plurality voting without any prior.
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Yuqing Kong, Yunqi Li, Yubo Zhang, Zhihuan Huang, Jinzhao Wu
| null | null | 2,022 |
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Untargeted Backdoor Watermark: Towards Harmless and Stealthy Dataset Copyright Protection
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Deep neural networks (DNNs) have demonstrated their superiority in practice. Arguably, the rapid development of DNNs is largely benefited from high-quality (open-sourced) datasets, based on which researchers and developers can easily evaluate and improve their learning methods. Since the data collection is usually time-consuming or even expensive, how to protect their copyrights is of great significance and worth further exploration. In this paper, we revisit dataset ownership verification. We find that existing verification methods introduced new security risks in DNNs trained on the protected dataset, due to the targeted nature of poison-only backdoor watermarks. To alleviate this problem, in this work, we explore the untargeted backdoor watermarking scheme, where the abnormal model behaviors are not deterministic. Specifically, we introduce two dispersibilities and prove their correlation, based on which we design the untargeted backdoor watermark under both poisoned-label and clean-label settings. We also discuss how to use the proposed untargeted backdoor watermark for dataset ownership verification. Experiments on benchmark datasets verify the effectiveness of our methods and their resistance to existing backdoor defenses.
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Yiming Li, Yang Bai, Yong Jiang, Yong Yang, Shu-Tao Xia, Bo Li
| null | null | 2,022 |
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Local Bayesian optimization via maximizing probability of descent
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Local optimization presents a promising approach to expensive, high-dimensional black-box optimization by sidestepping the need to globally explore the search space. For objective functions whose gradient cannot be evaluated directly, Bayesian optimization offers one solution -- we construct a probabilistic model of the objective, design a policy to learn about the gradient at the current location, and use the resulting information to navigate the objective landscape. Previous work has realized this scheme by minimizing the variance in the estimate of the gradient, then moving in the direction of the expected gradient. In this paper, we re-examine and refine this approach. We demonstrate that, surprisingly, the expected value of the gradient is not always the direction maximizing the probability of descent, and in fact, these directions may be nearly orthogonal. This observation then inspires an elegant optimization scheme seeking to maximize the probability of descent while moving in the direction of most-probable descent. Experiments on both synthetic and real-world objectives show that our method outperforms previous realizations of this optimization scheme and is competitive against other, significantly more complicated baselines.
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Quan Nguyen, Kaiwen Wu, Jacob Gardner, Roman Garnett
| null | null | 2,022 |
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Towards Optimal Communication Complexity in Distributed Non-Convex Optimization
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We study the problem of distributed stochastic non-convex optimization with intermittent communication. We consider the full participation setting where $M$ machines work in parallel over $R$ communication rounds and the partial participation setting where $M$ machines are sampled independently every round from some meta-distribution over machines. We propose and analyze a new algorithm that improves existing methods by requiring fewer and lighter variance reduction operations. We also present lower bounds, showing our algorithm is either $\textit{optimal}$ or $\textit{almost optimal}$ in most settings. Numerical experiments demonstrate the superior performance of our algorithm.
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Kumar Kshitij Patel, Lingxiao Wang, Blake E. Woodworth, Brian Bullins, Nati Srebro
| null | null | 2,022 |
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Langevin Autoencoders for Learning Deep Latent Variable Models
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Markov chain Monte Carlo (MCMC), such as Langevin dynamics, is valid for approximating intractable distributions. However, its usage is limited in the context of deep latent variable models owing to costly datapoint-wise sampling iterations and slow convergence. This paper proposes the amortized Langevin dynamics (ALD), wherein datapoint-wise MCMC iterations are entirely replaced with updates of an encoder that maps observations into latent variables. This amortization enables efficient posterior sampling without datapoint-wise iterations. Despite its efficiency, we prove that ALD is valid as an MCMC algorithm, whose Markov chain has the target posterior as a stationary distribution under mild assumptions. Based on the ALD, we also present a new deep latent variable model named the Langevin autoencoder (LAE). Interestingly, the LAE can be implemented by slightly modifying the traditional autoencoder. Using multiple synthetic datasets, we first validate that ALD can properly obtain samples from target posteriors. We also evaluate the LAE on the image generation task, and show that our LAE can outperform existing methods based on variational inference, such as the variational autoencoder, and other MCMC-based methods in terms of the test likelihood.
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Shohei Taniguchi, Yusuke Iwasawa, Wataru Kumagai, Yutaka Matsuo
| null | null | 2,022 |
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Envy-free Policy Teaching to Multiple Agents
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We study envy-free policy teaching. A number of agents independently explore a common Markov decision process (MDP), but each with their own reward function and discounting rate. A teacher wants to teach a target policy to this diverse group of agents, by means of modifying the agents' reward functions: providing additional bonuses to certain actions, or penalizing them. When personalized reward modification programs are used, an important question is how to design the programs so that the agents think they are treated fairly. We adopt the notion of envy-freeness (EF) from the literature on fair division to formalize this problem and investigate several fundamental questions about the existence of EF solutions in our setting, the computation of cost-minimizing solutions, as well as the price of fairness (PoF), which measures the increase of cost due to the consideration of fairness. We show that 1) an EF solution may not exist if penalties are not allowed in the modifications, but otherwise always exists. 2) Computing a cost-minimizing EF solution can be formulated as convex optimization and hence solved efficiently. 3) The PoF increases but at most quadratically with the geometric sum of the discount factor, and at most linearly with the size of the MDP and the number of agents involved; we present tight asymptotic bounds on the PoF. These results indicate that fairness can be incorporated in multi-agent teaching without significant computational or PoF burdens.
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Jiarui Gan, R Majumdar, Adish Singla, Goran Radanovic
| null | null | 2,022 |
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Bridge the Gap Between Architecture Spaces via A Cross-Domain Predictor
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Neural Architecture Search (NAS) can automatically design promising neural architectures without artificial experience. Though it achieves great success, prohibitively high search cost is required to find a high-performance architecture, which blocks its practical implementation. Neural predictor can directly evaluate the performance of neural networks based on their architectures and thereby save much budget. However, existing neural predictors require substantial annotated architectures trained from scratch, which still consume many computational resources. To solve this issue, we propose a Cross-Domain Predictor (CDP), which is trained based on the existing NAS benchmark datasets (e.g., NAS-Bench-101), but can be used to find high-performance architectures in large-scale search spaces. Particularly, we propose a progressive subspace adaptation strategy to address the domain discrepancy between the source architecture space and the target space. Considering the large difference between two architecture spaces, an assistant space is developed to smooth the transfer process. Compared with existing NAS methods, the proposed CDP is much more efficient. For example, CDP only requires the search cost of 0.1 GPU Days to find architectures with 76.9% top-1 accuracy on ImageNet and 97.51% on CIFAR-10.
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Yuqiao Liu, Yehui Tang, Zeqiong Lv, Yunhe Wang, Yanan Sun
| null | null | 2,022 |
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Domain Generalization without Excess Empirical Risk
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Given data from diverse sets of distinct distributions, domain generalization aims to learn models that generalize to unseen distributions. A common approach is designing a data-driven surrogate penalty to capture generalization and minimize the empirical risk jointly with the penalty. We argue that a significant failure mode of this recipe is an excess risk due to an erroneous penalty or hardness in joint optimization. We present an approach that eliminates this problem. Instead of jointly minimizing empirical risk with the penalty, we minimize the penalty under the constraint of optimality of the empirical risk. This change guarantees that the domain generalization penalty cannot impair optimization of the empirical risk, \ie, in-distribution performance. To solve the proposed optimization problem, we demonstrate an exciting connection to rate-distortion theory and utilize its tools to design an efficient method. Our approach can be applied to any penalty-based domain generalization method, and we demonstrate its effectiveness by applying it to three examplar methods from the literature, showing significant improvements.
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Ozan Sener, Vladlen Koltun
| null | null | 2,022 |
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Fair and Efficient Allocations Without Obvious Manipulations
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We consider the fundamental problem of allocating a set of indivisible goods among strategic agents with additive valuation functions. It is well known that, in the absence of monetary transfers, Pareto efficient and truthful rules are dictatorial, while there is no deterministic truthful mechanism that allocates all items and achieves envy-freeness up to one item (EF1), even for the case of two agents. In this paper, we investigate the interplay of fairness and efficiency under a relaxation of truthfulness called non-obvious manipulability (NOM), recently proposed by~\citep{troyan2020obvious}. We show that this relaxation allows us to bypass the aforementioned negative results in a very strong sense. Specifically, we prove that there are deterministic and EF1 algorithms that are not obviously manipulable, and the algorithm that maximizes utilitarian social welfare (the sum of agents' utilities), which is Pareto efficient but not dictatorial, is not obviously manipulable for $n \geq 3$ agents (but obviously manipulable for $n=2$ agents). At the same time, maximizing the egalitarian social welfare (the minimum of agents' utilities) or the Nash social welfare (the product of agents' utilities) is obviously manipulable for any number of agents and items. Our main result is an approximation preserving black-box reduction from the problem of designing EF1 and NOM mechanisms to the problem of designing EF1 algorithms. En route, we prove an interesting structural result about EF1 allocations, as well as new ``best-of-both-worlds'' results (for the problem without incentives), that might be of independent interest.
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Alexandros Psomas, Paritosh Verma
| null | null | 2,022 |
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Provably Efficient Model-Free Constrained RL with Linear Function Approximation
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We study the constrained reinforcement learning problem, in which an agent aims to maximize the expected cumulative reward subject to a constraint on the expected total value of a utility function. In contrast to existing model-based approaches or model-free methods accompanied with a `simulator’, we aim to develop the first \emph{model-free}, \emph{simulator-free} algorithm that achieves a sublinear regret and a sublinear constraint violation even in \emph{large-scale} systems. To this end, we consider the episodic constrained Markov decision processes with linear function approximation, where the transition dynamics and the reward function can be represented as a linear function of some known feature mapping. We show that $\tilde{\mathcal{O}}(\sqrt{d^3H^3T})$ regret and $\tilde{\mathcal{O}}(\sqrt{d^3H^3T})$ constraint violation bounds can be achieved, where $d$ is the dimension of the feature mapping, $H$ is the length of the episode, and $T$ is the total number of steps. Our bounds are attained without explicitly estimating the unknown transition model or requiring a simulator, and they depend on the state space only through the dimension of the feature mapping. Hence our bounds hold even when the number of states goes to infinity. Our main results are achieved via novel adaptations of the standard LSVI-UCB algorithms. In particular, we first introduce primal-dual optimization into the LSVI-UCB algorithm to balance between regret and constraint violation. More importantly, we replace the standard greedy selection with respect to the state-action function with a soft-max policy. This turns out to be key in establishing uniform concentration (a critical step for provably efficient model-free exploration) for the constrained case via its approximation-smoothness trade-off. Finally, we also show that one can achieve an even zero constraint violation for large enough $T$ by trading the regret a little bit but still maintaining the same order with respect to $T$.
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Arnob Ghosh, Xingyu Zhou, Ness Shroff
| null | null | 2,022 |
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The Privacy Onion Effect: Memorization is Relative
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Machine learning models trained on private datasets have been shown to leak their private data. Recent work has found that the average data point is rarely leaked---it is often the outlier samples that are subject to memorization and, consequently, leakage. We demonstrate and analyze an Onion Effect of memorization: removing the "layer" of outlier points that are most vulnerable to a privacy attack exposes a new layer of previously-safe points to the same attack. We perform several experiments that are consistent with this hypothesis. For example, we show that for membership inference attacks, when the layer of easiest-to-attack examples is removed, another layer below becomes easy-to-attack. The existence of this effect has various consequences. For example, it suggests that proposals to defend against memorization without training with rigorous privacy guarantees are unlikely to be effective. Further, it suggests that privacy-enhancing technologies such as machine unlearning could actually harm the privacy of other users.
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Nicholas Carlini, Matthew Jagielski, Chiyuan Zhang, Nicolas Papernot, Andreas Terzis, Florian Tramer
| null | null | 2,022 |
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What Makes a "Good" Data Augmentation in Knowledge Distillation - A Statistical Perspective
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Knowledge distillation (KD) is a general neural network training approach that uses a teacher model to guide the student model. Existing works mainly study KD from the network output side (e.g., trying to design a better KD loss function), while few have attempted to understand it from the input side. Especially, its interplay with data augmentation (DA) has not been well understood. In this paper, we ask: Why do some DA schemes (e.g., CutMix) inherently perform much better than others in KD? What makes a "good" DA in KD? Our investigation from a statistical perspective suggests that a good DA scheme should reduce the covariance of the teacher-student cross-entropy. A practical metric, the stddev of teacher’s mean probability (T. stddev), is further presented and well justified empirically. Besides the theoretical understanding, we also introduce a new entropy-based data-mixing DA scheme, CutMixPick, to further enhance CutMix. Extensive empirical studies support our claims and demonstrate how we can harvest considerable performance gains simply by using a better DA scheme in knowledge distillation. Code: https://github.com/MingSun-Tse/Good-DA-in-KD.
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Huan Wang, Suhas Lohit, Michael N. Jones, Yun Fu
| null | null | 2,022 |
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Supervising the Multi-Fidelity Race of Hyperparameter Configurations
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Multi-fidelity (gray-box) hyperparameter optimization techniques (HPO) have recently emerged as a promising direction for tuning Deep Learning methods. However, existing methods suffer from a sub-optimal allocation of the HPO budget to the hyperparameter configurations. In this work, we introduce DyHPO, a Bayesian Optimization method that learns to decide which hyperparameter configuration to train further in a dynamic race among all feasible configurations. We propose a new deep kernel for Gaussian Processes that embeds the learning curve dynamics, and an acquisition function that incorporates multi-budget information. We demonstrate the significant superiority of DyHPO against state-of-the-art hyperparameter optimization methods through large-scale experiments comprising 50 datasets (Tabular, Image, NLP) and diverse architectures (MLP, CNN/NAS, RNN).
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Martin Wistuba, Arlind Kadra, Josif Grabocka
| null | null | 2,022 |
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Star Temporal Classification: Sequence Modeling with Partially Labeled Data
| null |
We develop an algorithm which can learn from partially labeled and unsegmented sequential data. Most sequential loss functions, such as Connectionist Temporal Classification (CTC), break down when many labels are missing. We address this problem with Star Temporal Classification (STC) which uses a special star token to allow alignments which include all possible tokens whenever a token could be missing. We express STC as the composition of weighted finite-state transducers (WFSTs) and use GTN (a framework for automatic differentiation with WFSTs) to compute gradients. We perform extensive experiments on automatic speech recognition. These experiments show that STC can close the performance gap with supervised baseline to about 1% WER when up to 70% of the labels are missing. We also perform experiments in handwriting recognition to show that our method easily applies to other temporal classification tasks.
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Vineel Pratap, Awni Hannun, Gabriel Synnaeve, Ronan Collobert
| null | null | 2,022 |
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Fault-Aware Neural Code Rankers
| null |
Large language models (LLMs) have demonstrated an impressive ability to generate code for various programming tasks. In many instances, LLMs can generate a correct program for a task when given numerous trials. Consequently, a recent trend is to do large scale sampling of programs using a model and then filtering/ranking the programs based on the program execution on a small number of known unit tests to select one candidate solution. However, these approaches assume that the unit tests are given and assume the ability to safely execute the generated programs (which can do arbitrary dangerous operations such as file manipulations). Both of the above assumptions are impractical in real-world software development. In this paper, we propose CodeRanker, a neural ranker that can predict the correctness of a sampled program without executing it. Our CodeRanker is fault-aware i.e., it is trained to predict different kinds of execution information such as predicting the exact compile/runtime error type (e.g., an IndexError or a TypeError). We show that CodeRanker can significantly increase the pass@1 accuracy of various code generation models (including Codex, GPT-Neo, GPT-J) on APPS, HumanEval and MBPP datasets.
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Jeevana Priya Inala, Chenglong Wang, Mei Yang, Andres Codas, Mark Encarnación, Shuvendu Lahiri, Madanlal Musuvathi, Jianfeng Gao
| null | null | 2,022 |
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Consistency of Constrained Spectral Clustering under Graph Induced Fair Planted Partitions
| null |
Spectral clustering is popular among practitioners and theoreticians alike. While performance guarantees for spectral clustering are well understood, recent studies have focused on enforcing "fairness" in clusters, requiring them to be "balanced" with respect to a categorical sensitive node attribute (e.g. the race distribution in clusters must match the race distribution in the population). In this paper, we consider a setting where sensitive attributes indirectly manifest in an auxiliary representation graph rather than being directly observed. This graph specifies node pairs that can represent each other with respect to sensitive attributes and is observed in addition to the usual similarity graph. Our goal is to find clusters in the similarity graph while respecting a new individual-level fairness constraint encoded by the representation graph. We develop variants of unnormalized and normalized spectral clustering for this task and analyze their performance under a fair planted partition model induced by the representation graph. This model uses both the cluster membership of the nodes and the structure of the representation graph to generate random similarity graphs. To the best of our knowledge, these are the first consistency results for constrained spectral clustering under an individual-level fairness constraint. Numerical results corroborate our theoretical findings.
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Shubham Gupta, Ambedkar Dukkipati
| null | null | 2,022 |
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Prompt Certified Machine Unlearning with Randomized Gradient Smoothing and Quantization
| null |
The right to be forgotten calls for efficient machine unlearning techniques that make trained machine learning models forget a cohort of data. The combination of training and unlearning operations in traditional machine unlearning methods often leads to the expensive computational cost on large-scale data. This paper presents a prompt certified machine unlearning algorithm, PCMU, which executes one-time operation of simultaneous training and unlearning in advance for a series of machine unlearning requests, without the knowledge of the removed/forgotten data. First, we establish a connection between randomized smoothing for certified robustness on classification and randomized smoothing for certified machine unlearning on gradient quantization. Second, we propose a prompt certified machine unlearning model based on randomized data smoothing and gradient quantization. We theoretically derive the certified radius R regarding the data change before and after data removals and the certified budget of data removals about R. Last but not least, we present another practical framework of randomized gradient smoothing and quantization, due to the dilemma of producing high confidence certificates in the first framework. We theoretically demonstrate the certified radius R' regarding the gradient change, the correlation between two types of certified radii, and the certified budget of data removals about R'.
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Zijie Zhang, Yang Zhou, Xin Zhao, Tianshi Che, Lingjuan Lyu
| null | null | 2,022 |
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Streaming Radiance Fields for 3D Video Synthesis
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We present an explicit-grid based method for efficiently reconstructing streaming radiance fields for novel view synthesis of real world dynamic scenes. Instead of training a single model that combines all the frames, we formulate the dynamic modeling problem with an incremental learning paradigm in which per-frame model difference is trained to complement the adaption of a base model on the current frame. By exploiting the simple yet effective tuning strategy with narrow bands, the proposed method realizes a feasible framework for handling video sequences on-the-fly with high training efficiency. The storage overhead induced by using explicit grid representations can be significantly reduced through the use of model difference based compression. We also introduce an efficient strategy to further accelerate model optimization for each frame. Experiments on challenging video sequences demonstrate that our approach is capable of achieving a training speed of 15 seconds per-frame with competitive rendering quality, which attains $1000 \times$ speedup over the state-of-the-art implicit methods.
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Lingzhi LI, Zhen Shen, Zhongshu Wang, Li Shen, Ping Tan
| null | null | 2,022 |
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Signal Processing for Implicit Neural Representations
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Implicit Neural Representations (INRs) encoding continuous multi-media data via multi-layer perceptrons has shown undebatable promise in various computer vision tasks. Despite many successful applications, editing and processing an INR remains intractable as signals are represented by latent parameters of a neural network. Existing works manipulate such continuous representations via processing on their discretized instance, which breaks down the compactness and continuous nature of INR. In this work, we present a pilot study on the question: how to directly modify an INR without explicit decoding? We answer this question by proposing an implicit neural signal processing network, dubbed INSP-Net, via differential operators on INR. Our key insight is that spatial gradients of neural networks can be computed analytically and are invariant to translation, while mathematically we show that any continuous convolution filter can be uniformly approximated by a linear combination of high-order differential operators. With these two knobs, INSP-Net instantiates the signal processing operator as a weighted composition of computational graphs corresponding to the high-order derivatives of INRs, where the weighting parameters can be data-driven learned. Based on our proposed INSP-Net, we further build the first Convolutional Neural Network (CNN) that implicitly runs on INRs, named INSP-ConvNet. Our experiments validate the expressiveness of INSP-Net and INSP-ConvNet in fitting low-level image and geometry processing kernels (e.g. blurring, deblurring, denoising, inpainting, and smoothening) as well as for high-level tasks on implicit fields such as image classification.
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Dejia Xu, Peihao Wang, Yifan Jiang, Zhiwen Fan, Zhangyang Wang
| null | null | 2,022 |
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Byzantine-tolerant federated Gaussian process regression for streaming data
| null |
In this paper, we consider Byzantine-tolerant federated learning for streaming data using Gaussian process regression (GPR). In particular, a cloud and a group of agents aim to collaboratively learn a latent function where some agents are subject to Byzantine attacks. We develop a Byzantine-tolerant federated GPR algorithm, which includes three modules: agent-based local GPR, cloud-based aggregated GPR and agent-based fused GPR. We derive the upper bounds on prediction error between the mean from the cloud-based aggregated GPR and the target function provided that Byzantine agents are less than one quarter of all the agents. We also characterize the lower and upper bounds of the predictive variance. Experiments on a synthetic dataset and two real-world datasets are conducted to evaluate the proposed algorithm.
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Xu Zhang, Zhenyuan Yuan, Minghui Zhu
| null | null | 2,022 |
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Alignment-guided Temporal Attention for Video Action Recognition
| null |
Temporal modeling is crucial for various video learning tasks. Most recent approaches employ either factorized (2D+1D) or joint (3D) spatial-temporal operations to extract temporal contexts from the input frames. While the former is more efficient in computation, the latter often obtains better performance. In this paper, we attribute this to a dilemma between the sufficiency and the efficiency of interactions among various positions in different frames. These interactions affect the extraction of task-relevant information shared among frames. To resolve this issue, we prove that frame-by-frame alignments have the potential to increase the mutual information between frame representations, thereby including more task-relevant information to boost effectiveness. Then we propose Alignment-guided Temporal Attention (ATA) to extend 1-dimensional temporal attention with parameter-free patch-level alignments between neighboring frames. It can act as a general plug-in for image backbones to conduct the action recognition task without any model-specific design. Extensive experiments on multiple benchmarks demonstrate the superiority and generality of our module.
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Yizhou Zhao, Zhenyang Li, Xun Guo, Yan Lu
| null | null | 2,022 |
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Do Current Multi-Task Optimization Methods in Deep Learning Even Help?
| null |
Recent research has proposed a series of specialized optimization algorithms for deep multi-task models. It is often claimed that these multi-task optimization (MTO) methods yield solutions that are superior to the ones found by simply optimizing a weighted average of the task losses. In this paper, we perform large-scale experiments on a variety of language and vision tasks to examine the empirical validity of these claims. We show that, despite the added design and computational complexity of these algorithms, MTO methods do not yield any performance improvements beyond what is achievable via traditional optimization approaches. We highlight alternative strategies that consistently yield improvements to the performance profile and point out common training pitfalls that might cause suboptimal results. Finally, we outline challenges in reliably evaluating the performance of MTO algorithms and discuss potential solutions.
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Derrick Xin, Behrooz Ghorbani, Justin Gilmer, Ankush Garg, Orhan Firat
| null | null | 2,022 |
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TAP-Vid: A Benchmark for Tracking Any Point in a Video
| null |
Generic motion understanding from video involves not only tracking objects, but also perceiving how their surfaces deform and move. This information is useful to make inferences about 3D shape, physical properties and object interactions. While the problem of tracking arbitrary physical points on surfaces over longer video clips has received some attention, no dataset or benchmark for evaluation existed, until now. In this paper, we first formalize the problem, naming it tracking any point (TAP). We introduce a companion benchmark,TAP-Vid, which is composed of both real-world videos with accurate human annotations of point tracks, and synthetic videos with perfect ground-truth point tracks. Central to the construction of our benchmark is a novel semi-automatic crowdsourced pipeline which uses optical flow estimates to compensate for easier, short-term motion like camera shake, allowing annotators to focus on harder sections of the video. We validate our pipeline on synthetic data and propose a simple end-to-end point tracking model, TAP-Net, showing that it outperforms all prior methods on our benchmark when trained on synthetic data.
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Carl Doersch, Ankush Gupta, Larisa Markeeva, Adria Recasens, Lucas Smaira, Yusuf Aytar, Joao Carreira, Andrew Zisserman, Yi Yang
| null | null | 2,022 |
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Local Spatiotemporal Representation Learning for Longitudinally-consistent Neuroimage Analysis
| null |
Recent self-supervised advances in medical computer vision exploit the global and local anatomical self-similarity for pretraining prior to downstream tasks such as segmentation. However, current methods assume i.i.d. image acquisition, which is invalid in clinical study designs where follow-up longitudinal scans track subject-specific temporal changes. Further, existing self-supervised methods for medically-relevant image-to-image architectures exploit only spatial or temporal self-similarity and do so via a loss applied only at a single image-scale, with naive multi-scale spatiotemporal extensions collapsing to degenerate solutions. To these ends, this paper makes two contributions: (1) It presents a local and multi-scale spatiotemporal representation learning method for image-to-image architectures trained on longitudinal images. It exploits the spatiotemporal self-similarity of learned multi-scale intra-subject image features for pretraining and develops several feature-wise regularizations that avoid degenerate representations; (2) During finetuning, it proposes a surprisingly simple self-supervised segmentation consistency regularization to exploit intra-subject correlation. Benchmarked across various segmentation tasks, the proposed framework outperforms both well-tuned randomly-initialized baselines and current self-supervised techniques designed for both i.i.d. and longitudinal datasets. These improvements are demonstrated across both longitudinal neurodegenerative adult MRI and developing infant brain MRI and yield both higher performance and longitudinal consistency.
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Mengwei Ren, Neel Dey, Martin Styner, Kelly Botteron, Guido Gerig
| null | null | 2,022 |
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Neural Matching Fields: Implicit Representation of Matching Fields for Visual Correspondence
| null |
Existing pipelines of semantic correspondence commonly include extracting high-level semantic features for the invariance against intra-class variations and background clutters. This architecture, however, inevitably results in a low-resolution matching field that additionally requires an ad-hoc interpolation process as a post-processing for converting it into a high-resolution one, certainly limiting the overall performance of matching results. To overcome this, inspired by recent success of implicit neural representation, we present a novel method for semantic correspondence, called Neural Matching Field (NeMF). However, complicacy and high-dimensionality of a 4D matching field are the major hindrances, which we propose a cost embedding network to process a coarse cost volume to use as a guidance for establishing high-precision matching field through the following fully-connected network. Nevertheless, learning a high-dimensional matching field remains challenging mainly due to computational complexity, since a na\"ive exhaustive inference would require querying from all pixels in the 4D space to infer pixel-wise correspondences. To overcome this, we propose adequate training and inference procedures, which in the training phase, we randomly sample matching candidates and in the inference phase, we iteratively performs PatchMatch-based inference and coordinate optimization at test time. With these combined, competitive results are attained on several standard benchmarks for semantic correspondence. Code and pre-trained weights are available at~\url{https://ku-cvlab.github.io/NeMF/}.
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Sunghwan Hong, Jisu Nam, Seokju Cho, Susung Hong, Sangryul Jeon, Dongbo Min, Seungryong Kim
| null | null | 2,022 |
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A Unifying Framework of Off-Policy General Value Function Evaluation
| null |
General Value Function (GVF) is a powerful tool to represent both the {\em predictive} and {\em retrospective} knowledge in reinforcement learning (RL). In practice, often multiple interrelated GVFs need to be evaluated jointly with pre-collected off-policy samples. In the literature, the gradient temporal difference (GTD) learning method has been adopted to evaluate GVFs in the off-policy setting, but such an approach may suffer from a large estimation error even if the function approximation class is sufficiently expressive. Moreover, none of the previous work have formally established the convergence guarantee to the ground truth GVFs under the function approximation settings. In this paper, we address both issues through the lens of a class of GVFs with causal filtering, which cover a wide range of RL applications such as reward variance, value gradient, cost in anomaly detection, stationary distribution gradient, etc. We propose a new algorithm called GenTD for off-policy GVFs evaluation and show that GenTD learns multiple interrelated multi-dimensional GVFs as efficiently as a single canonical scalar value function. We further show that unlike GTD, the learned GVFs by GenTD are guaranteed to converge to the ground truth GVFs as long as the function approximation power is sufficiently large. To our best knowledge, GenTD is the first off-policy GVF evaluation algorithm that has global optimality guarantee.
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Tengyu Xu, Zhuoran Yang, Zhaoran Wang, Yingbin Liang
| null | null | 2,022 |
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Meta Reinforcement Learning with Finite Training Tasks - a Density Estimation Approach
| null |
In meta reinforcement learning (meta RL), an agent learns from a set of training tasks how to quickly solve a new task, drawn from the same task distribution. The optimal meta RL policy, a.k.a.~the Bayes-optimal behavior, is well defined, and guarantees optimal reward in expectation, taken with respect to the task distribution. The question we explore in this work is how many training tasks are required to guarantee approximately optimal behavior with high probability. Recent work provided the first such PAC analysis for a model-free setting, where a history-dependent policy was learned from the training tasks. In this work, we propose a different approach: directly learn the task distribution, using density estimation techniques, and then train a policy on the learned task distribution. We show that our approach leads to bounds that depend on the dimension of the task distribution. In particular, in settings where the task distribution lies in a low-dimensional manifold, we extend our analysis to use dimensionality reduction techniques and account for such structure, obtaining significantly better bounds than previous work, which strictly depend on the number of states and actions. The key of our approach is the regularization implied by the kernel density estimation method. We further demonstrate that this regularization is useful in practice, when `plugged in' the state-of-the-art VariBAD meta RL algorithm.
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Zohar Rimon, Aviv Tamar, Gilad Adler
| null | null | 2,022 |
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A Conditional Randomization Test for Sparse Logistic Regression in High-Dimension
| null |
Identifying the relevant variables for a classification model with correct confidence levels is a central but difficult task in high-dimension. Despite the core role of sparse logistic regression in statistics and machine learning, it still lacks a good solution for accurate inference in the regime where the number of features $p$ is as large as or larger than the number of samples $n$. Here we tackle this problem by improving the Conditional Randomization Test (CRT). The original CRT algorithm shows promise as a way to output p-values while making few assumptions on the distribution of the test statistics. As it comes with a prohibitive computational cost even in mildly high-dimensional problems, faster solutions based on distillation have been proposed. Yet, they rely on unrealistic hypotheses and result in low-power solutions. To improve this, we propose \emph{CRT-logit}, an algorithm that combines a variable-distillation step and a decorrelation step that takes into account the geometry of $\ell_1$-penalized logistic regression problem. We provide a theoretical analysis of this procedure, and demonstrate its effectiveness on simulations, along with experiments on large-scale brain-imaging and genomics datasets.
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Binh T. Nguyen, Bertrand Thirion, Sylvain Arlot
| null | null | 2,022 |
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EPIC-KITCHENS VISOR Benchmark: VIdeo Segmentations and Object Relations
| null |
We introduce VISOR, a new dataset of pixel annotations and a benchmark suite for segmenting hands and active objects in egocentric video. VISOR annotates videos from EPIC-KITCHENS, which comes with a new set of challenges not encountered in current video segmentation datasets. Specifically, we need to ensure both short- and long-term consistency of pixel-level annotations as objects undergo transformative interactions, e.g. an onion is peeled, diced and cooked - where we aim to obtain accurate pixel-level annotations of the peel, onion pieces, chopping board, knife, pan, as well as the acting hands. VISOR introduces an annotation pipeline, AI-powered in parts, for scalability and quality. In total, we publicly release 272K manual semantic masks of 257 object classes, 9.9M interpolated dense masks, 67K hand-object relations, covering 36 hours of 179 untrimmed videos. Along with the annotations, we introduce three challenges in video object segmentation, interaction understanding and long-term reasoning.For data, code and leaderboards: http://epic-kitchens.github.io/VISOR
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Ahmad Darkhalil, Dandan Shan, Bin Zhu, Jian Ma, Amlan Kar, Richard Higgins, Sanja Fidler, David Fouhey, Dima Damen
| null | null | 2,022 |
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Inverse Design for Fluid-Structure Interactions using Graph Network Simulators
| null |
Designing physical artifacts that serve a purpose---such as tools and other functional structures---is central to engineering as well as everyday human behavior. Though automating design using machine learning has tremendous promise, existing methods are often limited by the task-dependent distributions they were exposed to during training. Here we showcase a task-agnostic approach to inverse design, by combining general-purpose graph network simulators with gradient-based design optimization. This constitutes a simple, fast, and reusable approach that solves high-dimensional problems with complex physical dynamics, including designing surfaces and tools to manipulate fluid flows and optimizing the shape of an airfoil to minimize drag. This framework produces high-quality designs by propagating gradients through trajectories of hundreds of steps, even when using models that were pre-trained for single-step predictions on data substantially different from the design tasks. In our fluid manipulation tasks, the resulting designs outperformed those found by sampling-based optimization techniques. In airfoil design, they matched the quality of those obtained with a specialized solver. Our results suggest that despite some remaining challenges, machine learning-based simulators are maturing to the point where they can support general-purpose design optimization across a variety of fluid-structure interaction domains.
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Kelsey Allen, Tatiana Lopez-Guevara, Kimberly L. Stachenfeld, Alvaro Sanchez Gonzalez, Peter Battaglia, Jessica B. Hamrick, Tobias Pfaff
| null | null | 2,022 |
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What Makes Graph Neural Networks Miscalibrated?
| null |
Given the importance of getting calibrated predictions and reliable uncertainty estimations, various post-hoc calibration methods have been developed for neural networks on standard multi-class classification tasks. However, these methods are not well suited for calibrating graph neural networks (GNNs), which presents unique challenges such as accounting for the graph structure and the graph-induced correlations between the nodes. In this work, we conduct a systematic study on the calibration qualities of GNN node predictions. In particular, we identify five factors which influence the calibration of GNNs: general under-confident tendency, diversity of nodewise predictive distributions, distance to training nodes, relative confidence level, and neighborhood similarity. Furthermore, based on the insights from this study, we design a novel calibration method named Graph Attention Temperature Scaling (GATS), which is tailored for calibrating graph neural networks. GATS incorporates designs that address all the identified influential factors and produces nodewise temperature scaling using an attention-based architecture. GATS is accuracy-preserving, data-efficient, and expressive at the same time. Our experiments empirically verify the effectiveness of GATS, demonstrating that it can consistently achieve state-of-the-art calibration results on various graph datasets for different GNN backbones.
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Hans Hao-Hsun Hsu, Yuesong Shen, Christian Tomani, Daniel Cremers
| null | null | 2,022 |
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DHRL: A Graph-Based Approach for Long-Horizon and Sparse Hierarchical Reinforcement Learning
| null |
Hierarchical Reinforcement Learning (HRL) has made notable progress in complex control tasks by leveraging temporal abstraction. However, previous HRL algorithms often suffer from serious data inefficiency as environments get large. The extended components, $i.e.$, goal space and length of episodes, impose a burden on either one or both high-level and low-level policies since both levels share the total horizon of the episode. In this paper, we present a method of Decoupling Horizons Using a Graph in Hierarchical Reinforcement Learning (DHRL) which can alleviate this problem by decoupling the horizons of high-level and low-level policies and bridging the gap between the length of both horizons using a graph. DHRL provides a freely stretchable high-level action interval, which facilitates longer temporal abstraction and faster training in complex tasks. Our method outperforms state-of-the-art HRL algorithms in typical HRL environments. Moreover, DHRL achieves long and complex locomotion and manipulation tasks.
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Seungjae Lee, Jigang Kim, Inkyu Jang, H. Jin Kim
| null | null | 2,022 |
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ActionSense: A Multimodal Dataset and Recording Framework for Human Activities Using Wearable Sensors in a Kitchen Environment
| null |
This paper introduces ActionSense, a multimodal dataset and recording framework with an emphasis on wearable sensing in a kitchen environment. It provides rich, synchronized data streams along with ground truth data to facilitate learning pipelines that could extract insights about how humans interact with the physical world during activities of daily living, and help lead to more capable and collaborative robot assistants. The wearable sensing suite captures motion, force, and attention information; it includes eye tracking with a first-person camera, forearm muscle activity sensors, a body-tracking system using 17 inertial sensors, finger-tracking gloves, and custom tactile sensors on the hands that use a matrix of conductive threads. This is coupled with activity labels and with externally-captured data from multiple RGB cameras, a depth camera, and microphones. The specific tasks recorded in ActionSense are designed to highlight lower-level physical skills and higher-level scene reasoning or action planning. They include simple object manipulations (e.g., stacking plates), dexterous actions (e.g., peeling or cutting vegetables), and complex action sequences (e.g., setting a table or loading a dishwasher). The resulting dataset and underlying experiment framework are available at https://action-sense.csail.mit.edu. Preliminary networks and analyses explore modality subsets and cross-modal correlations. ActionSense aims to support applications including learning from demonstrations, dexterous robot control, cross-modal predictions, and fine-grained action segmentation. It could also help inform the next generation of smart textiles that may one day unobtrusively send rich data streams to in-home collaborative or autonomous robot assistants.
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Joseph DelPreto, Chao Liu, Yiyue Luo, Michael Foshey, Yunzhu Li, Antonio Torralba, Wojciech Matusik, Daniela Rus
| null | null | 2,022 |
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Overparameterization from Computational Constraints
| null |
Overparameterized models with millions of parameters have been hugely successful. In this work, we ask: can the need for large models be, at least in part, due to the \emph{computational} limitations of the learner? Additionally, we ask, is this situation exacerbated for \emph{robust} learning? We show that this indeed could be the case. We show learning tasks for which computationally bounded learners need \emph{significantly more} model parameters than what information-theoretic learners need. Furthermore, we show that even more model parameters could be necessary for robust learning. In particular, for computationally bounded learners, we extend the recent result of Bubeck and Sellke [NeurIPS'2021] which shows that robust models might need more parameters, to the computational regime and show that bounded learners could provably need an even larger number of parameters. Then, we address the following related question: can we hope to remedy the situation for robust computationally bounded learning by restricting \emph{adversaries} to also be computationally bounded for sake of obtaining models with fewer parameters? Here again, we show that this could be possible. Specifically, building on the work of Garg, Jha, Mahloujifar, and Mahmoody [ALT'2020], we demonstrate a learning task that can be learned efficiently and robustly against a computationally bounded attacker, while to be robust against an information-theoretic attacker requires the learner to utilize significantly more parameters.
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Sanjam Garg, Somesh Jha, Saeed Mahloujifar, Mohammad Mahmoody, Mingyuan Wang
| null | null | 2,022 |
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Stochastic Adaptive Activation Function
| null |
The simulation of human neurons and neurotransmission mechanisms has been realized in deep neural networks based on the theoretical implementations of activation functions. However, recent studies have reported that the threshold potential of neurons exhibits different values according to the locations and types of individual neurons, and that the activation functions have limitations in terms of representing this variability. Therefore, this study proposes a simple yet effective activation function that facilitates different thresholds and adaptive activations according to the positions of units and the contexts of inputs. Furthermore, the proposed activation function mathematically exhibits a more generalized form of Swish activation function, and thus we denoted it as Adaptive SwisH (ASH). ASH highlights informative features that exhibit large values in the top percentiles in an input, whereas it rectifies low values. Most importantly, ASH exhibits trainable, adaptive, and context-aware properties compared to other activation functions. Furthermore, ASH represents general formula of the previously studied activation function and provides a reasonable mathematical background for the superior performance. To validate the effectiveness and robustness of ASH, we implemented ASH into many deep learning models for various tasks, including classification, detection, segmentation, and image generation. Experimental analysis demonstrates that our activation function can provide the benefits of more accurate prediction and earlier convergence in many deep learning applications.
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Kyungsu Lee, Jaeseung Yang, Haeyun Lee, Jae Youn Hwang
| null | null | 2,022 |
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Representing Spatial Trajectories as Distributions
| null |
We introduce a representation learning framework for spatial trajectories. We represent partial observations of trajectories as probability distributions in a learned latent space, which characterize the uncertainty about unobserved parts of the trajectory. Our framework allows us to obtain samples from a trajectory for any continuous point in time—both interpolating and extrapolating. Our flexible approach supports directly modifying specific attributes of a trajectory, such as its pace, as well as combining different partial observations into single representations. Experiments show our method's superiority over baselines in prediction tasks.
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Didac Suris Coll-Vinent, Carl Vondrick
| null | null | 2,022 |
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A Classification of $G$-invariant Shallow Neural Networks
| null |
When trying to fit a deep neural network (DNN) to a $G$-invariant target function with $G$ a group, it only makes sense to constrain the DNN to be $G$-invariant as well. However, there can be many different ways to do this, thus raising the problem of ``$G$-invariant neural architecture design'': What is the optimal $G$-invariant architecture for a given problem? Before we can consider the optimization problem itself, we must understand the search space, the architectures in it, and how they relate to one another. In this paper, we take a first step towards this goal; we prove a theorem that gives a classification of all $G$-invariant single-hidden-layer or ``shallow'' neural network ($G$-SNN) architectures with ReLU activation for any finite orthogonal group $G$, and we prove a second theorem that characterizes the inclusion maps or ``network morphisms'' between the architectures that can be leveraged during neural architecture search (NAS). The proof is based on a correspondence of every $G$-SNN to a signed permutation representation of $G$ acting on the hidden neurons; the classification is equivalently given in terms of the first cohomology classes of $G$, thus admitting a topological interpretation. The $G$-SNN architectures corresponding to nontrivial cohomology classes have, to our knowledge, never been explicitly identified in the literature previously. Using a code implementation, we enumerate the $G$-SNN architectures for some example groups $G$ and visualize their structure. Finally, we prove that architectures corresponding to inequivalent cohomology classes coincide in function space only when their weight matrices are zero, and we discuss the implications of this for NAS.
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Devanshu Agrawal, James Ostrowski
| null | null | 2,022 |
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