mtybilly/Instruct2DS huggingface dataset:
Do deep networks transfer invariances across classes?
Authors: Allan Zhou, Fahim Tajwar, Alexander Robey, Tom Knowles, George J. Pappas, Hamed Hassani, Chelsea Finn
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: In order to generalize well, classifiers must learn to be invariant to nuisance transformations that do not alter an input's class. Many problems have "class-agnostic" nuisance transformations that apply similarly to all classes, such as lighting and background changes for image classification. Neural networks can learn these invariances given sufficient data, but many real-world datasets are heavily class imbalanced and contain only a few examples for most of the classes. We therefore pose the question: how well do neural networks transfer class-agnostic invariances learned from the large classes to the small ones? Through careful experimentation, we observe that invariance to class-agnostic transformations is still heavily dependent on class size, with the networks being much less invariant on smaller classes. This result holds even when using data balancing techniques, and suggests poor invariance transfer across classes. Our results provide one explanation for why classifiers generalize poorly on unbalanced and long-tailed distributions. Based on this analysis, we show how a generative approach for learning the nuisance transformations can help transfer invariances across classes and improve performance on a set of imbalanced image classification benchmarks.
Procedural generalization by planning with self-supervised world models
Authors: Ankesh Anand, Jacob C Walker, Yazhe Li, Eszter Vértes, Julian Schrittwieser, Sherjil Ozair, Theophane Weber, Jessica B Hamrick
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: One of the key promises of model-based reinforcement learning is the ability to generalize using an internal model of the world to make predictions in novel environments and tasks. However, the generalization ability of model-based agents is not well understood because existing work has focused on model-free agents when benchmarking generalization. Here, we explicitly measure the generalization ability of model-based agents in comparison to their model-free counterparts. We focus our analysis on MuZero (Schrittwieser et al., 2020), a powerful model-based agent, and evaluate its performance on both procedural and task generalization. We identify three factors of procedural generalization---planning, self-supervised representation learning, and procedural data diversity---and show that by combining these techniques, we achieve state-of-the art generalization performance and data efficiency on Procgen (Cobbe et al., 2019). However, we find that these factors do not always provide the same benefits for the task generalization benchmarks in Meta-World (Yu et al., 2019), indicating that transfer remains a challenge and may require different approaches than procedural generalization. Overall, we suggest that building generalizable agents requires moving beyond the single-task, model-free paradigm and towards self-supervised model-based agents that are trained in rich, procedural, multi-task environments.
Multi-objective Optimization by Learning Space Partition
Authors: Yiyang Zhao, Linnan Wang, Kevin Yang, Tianjun Zhang, Tian Guo, Yuandong Tian
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: In contrast to single-objective optimization (SOO), multi-objective optimization (MOO) requires an optimizer to find the Pareto frontier, a subset of feasible solutions that are not dominated by other feasible solutions. In this paper, we propose LaMOO, a novel multi-objective optimizer that learns a model from observed samples to partition the search space and then focus on promising regions that are likely to contain a subset of the Pareto frontier. The partitioning is based on the dominance number, which measures "how close'' a data point is to the Pareto frontier among existing samples. To account for possible partition errors due to limited samples and model mismatch, we leverage Monte Carlo Tree Search (MCTS) to exploit promising regions while exploring suboptimal regions that may turn out to contain good solutions later. Theoretically, we prove the efficacy of learning space partitioning via LaMOO under certain assumptions. Empirically, on the HyperVolume (HV) benchmark, a popular MOO metric, LaMOO substantially outperforms strong baselines on multiple real-world MOO tasks, by up to 225% in sample efficiency for neural architecture search on Nasbench201, and up to 10% for molecular design.
On Lottery Tickets and Minimal Task Representations in Deep Reinforcement Learning
Authors: Marc Vischer, Robert Tjarko Lange, Henning Sprekeler
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: The lottery ticket hypothesis questions the role of overparameterization in supervised deep learning. But how is the performance of winning lottery tickets affected by the distributional shift inherent to reinforcement learning problems? In this work, we address this question by comparing sparse agents who have to address the non-stationarity of the exploration-exploitation problem with supervised agents trained to imitate an expert. We show that feed-forward networks trained with behavioural cloning compared to reinforcement learning can be pruned to higher levels of sparsity without performance degradation. This suggests that in order to solve the RL-specific distributional shift agents require more degrees of freedom. Using a set of carefully designed baseline conditions, we find that the majority of the lottery ticket effect in both learning paradigms can be attributed to the identified mask rather than the weight initialization. The input layer mask selectively prunes entire input dimensions that turn out to be irrelevant for the task at hand. At a moderate level of sparsity the mask identified by iterative magnitude pruning yields minimal task-relevant representations, i.e., an interpretable inductive bias. Finally, we propose a simple initialization rescaling which promotes the robust identification of sparse task representations in low-dimensional control tasks.
Ancestral protein sequence reconstruction using a tree-structured Ornstein-Uhlenbeck variational autoencoder
Authors: Lys Sanz Moreta, Ola Rønning, Ahmad Salim Al-Sibahi, Jotun Hein, Douglas Theobald, Thomas Hamelryck
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We introduce a deep generative model for representation learning of biological sequences that, unlike existing models, explicitly represents the evolutionary process. The model makes use of a tree-structured Ornstein-Uhlenbeck process, obtained from a given phylogenetic tree, as an informative prior for a variational autoencoder. We show the model performs well on the task of ancestral sequence reconstruction of single protein families. Our results and ablation studies indicate that the explicit representation of evolution using a suitable tree-structured prior has the potential to improve representation learning of biological sequences considerably. Finally, we briefly discuss extensions of the model to genomic-scale data sets and the case of a latent phylogenetic tree.
Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design
Authors: Wenhao Gao, Rocío Mercado, Connor W. Coley
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to bioactivity and drug discovery.
Handling Distribution Shifts on Graphs: An Invariance Perspective
Authors: Qitian Wu, Hengrui Zhang, Junchi Yan, David Wipf
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: There is increasing evidence suggesting neural networks' sensitivity to distribution shifts, so that research on out-of-distribution (OOD) generalization comes into the spotlight. Nonetheless, current endeavors mostly focus on Euclidean data, and its formulation for graph-structured data is not clear and remains under-explored, given two-fold fundamental challenges: 1) the inter-connection among nodes in one graph, which induces non-IID generation of data points even under the same environment, and 2) the structural information in the input graph, which is also informative for prediction. In this paper, we formulate the OOD problem on graphs and develop a new invariant learning approach, Explore-to-Extrapolate Risk Minimization (EERM), that facilitates graph neural networks to leverage invariance principles for prediction. EERM resorts to multiple context explorers (specified as graph structure editers in our case) that are adversarially trained to maximize the variance of risks from multiple virtual environments. Such a design enables the model to extrapolate from a single observed environment which is the common case for node-level prediction. We prove the validity of our method by theoretically showing its guarantee of a valid OOD solution and further demonstrate its power on various real-world datasets for handling distribution shifts from artificial spurious features, cross-domain transfers and dynamic graph evolution.
Domino: Discovering Systematic Errors with Cross-Modal Embeddings
Authors: Sabri Eyuboglu, Maya Varma, Khaled Kamal Saab, Jean-Benoit Delbrouck, Christopher Lee-Messer, Jared Dunnmon, James Zou, Christopher Re
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Machine learning models that achieve high overall accuracy often make systematic errors on important subsets (or slices) of data. Identifying underperforming slices is particularly challenging when working with high-dimensional inputs (e.g. images, audio), where important slices are often unlabeled. In order to address this issue, recent studies have proposed automated slice discovery methods (SDMs), which leverage learned model representations to mine input data for slices on which a model performs poorly. To be useful to a practitioner, these methods must identify slices that are both underperforming and coherent (i.e. united by a human-understandable concept). However, no quantitative evaluation framework currently exists for rigorously assessing SDMs with respect to these criteria. Additionally, prior qualitative evaluations have shown that SDMs often identify slices that are incoherent. In this work, we address these challenges by first designing a principled evaluation framework that enables a quantitative comparison of SDMs across 1,235 slice discovery settings in three input domains (natural images, medical images, and time-series data).
Then, motivated by the recent development of powerful cross-modal representation learning approaches, we present Domino, an SDM that leverages cross-modal embeddings and a novel error-aware mixture model to discover and describe coherent slices. We find that Domino accurately identifies 36% of the 1,235 slices in our framework -- a 12 percentage point improvement over prior methods. Further, Domino is the first SDM that can provide natural language descriptions of identified slices, correctly generating the exact name of the slice in 35% of settings.
COptiDICE: Offline Constrained Reinforcement Learning via Stationary Distribution Correction Estimation
Authors: Jongmin Lee, Cosmin Paduraru, Daniel J Mankowitz, Nicolas Heess, Doina Precup, Kee-Eung Kim, Arthur Guez
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We consider the offline constrained reinforcement learning (RL) problem, in which the agent aims to compute a policy that maximizes expected return while satisfying given cost constraints, learning only from a pre-collected dataset. This problem setting is appealing in many real-world scenarios, where direct interaction with the environment is costly or risky, and where the resulting policy should comply with safety constraints. However, it is challenging to compute a policy that guarantees satisfying the cost constraints in the offline RL setting, since the off-policy evaluation inherently has an estimation error. In this paper, we present an offline constrained RL algorithm that optimizes the policy in the space of the stationary distribution. Our algorithm, COptiDICE, directly estimates the stationary distribution corrections of the optimal policy with respect to returns, while constraining the cost upper bound, with the goal of yielding a cost-conservative policy for actual constraint satisfaction. Experimental results show that COptiDICE attains better policies in terms of constraint satisfaction and return-maximization, outperforming baseline algorithms.
Wish you were here: Hindsight Goal Selection for long-horizon dexterous manipulation
Authors: Todor Davchev, Oleg Olegovich Sushkov, Jean-Baptiste Regli, Stefan Schaal, Yusuf Aytar, Markus Wulfmeier, Jon Scholz
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Complex sequential tasks in continuous-control settings often require agents to successfully traverse a set of ``narrow passages'' in their state space. Solving such tasks with a sparse reward in a sample-efficient manner poses a challenge to modern reinforcement learning (RL) due to the associated long-horizon nature of the problem and the lack of sufficient positive signal during learning. 
Various tools have been applied to address this challenge. When available, large sets of demonstrations can guide agent exploration. Hindsight relabelling on the other hand does not require additional sources of information. However, existing strategies explore based on task-agnostic goal distributions, which can render the solution of long-horizon tasks impractical. In this work, we extend hindsight relabelling mechanisms to guide exploration along task-specific distributions implied by a small set of successful demonstrations. We evaluate the approach on four complex, single and dual arm, robotics manipulation tasks against strong suitable baselines. The method requires far fewer demonstrations to solve all tasks and achieves a significantly higher overall performance as task complexity increases. Finally, we investigate the robustness of the proposed solution with respect to the quality of input representations and the number of demonstrations.
RelaxLoss: Defending Membership Inference Attacks without Losing Utility
Authors: Dingfan Chen, Ning Yu, Mario Fritz
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: As a long-term threat to the privacy of training data, membership inference attacks (MIAs) emerge ubiquitously in machine learning models.
Existing works evidence strong connection between the distinguishability of the training and testing loss distributions and the model's vulnerability to MIAs. Motivated by existing results, we propose a novel training framework based on a relaxed loss ($\textbf{RelaxLoss}$) with a more achievable learning target, which leads to narrowed generalization gap and reduced privacy leakage. RelaxLoss is applicable to any classification model with added benefits of easy implementation and negligible overhead. Through extensive evaluations on five datasets with diverse modalities (images, medical data, transaction records), our approach consistently outperforms state-of-the-art defense mechanisms in terms of resilience against MIAs as well as model utility. Our defense is the first that can withstand a wide range of attacks while preserving (or even improving) the target model's utility.
TPU-GAN: Learning temporal coherence from dynamic point cloud sequences
Authors: Zijie Li, Tianqin Li, Amir Barati Farimani
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Point cloud sequence is an important data representation that provides flexible shape and motion information. Prior work demonstrates that incorporating scene flow information into loss can make model learn temporally coherent feature spaces. However, it is prohibitively expensive to acquire point correspondence information across frames in real-world environments. In this work, we propose a super-resolution generative adversarial network (GAN) for upsampling dynamic point cloud sequences, which does not require point correspondence annotation.  Our model, Temporal Point cloud Upsampling GAN (TPU-GAN), can implicitly learn the underlying temporal coherence from point cloud sequence, which in turn guides the generator to produce temporally coherent output. In addition, we propose a learnable masking module to adapt upsampling ratio according to the point distribution. We conduct extensive experiments on point cloud sequences from two different domains: particles in the fluid dynamical system and human action scanned data. The quantitative and qualitative evaluation demonstrates the effectiveness of our method on upsampling tasks as well as learning temporal coherence from irregular point cloud sequences.
How Attentive are Graph Attention Networks? 
Authors: Shaked Brody, Uri Alon, Eran Yahav
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Graph Attention Networks (GATs) are one of the most popular GNN architectures and are considered as the state-of-the-art architecture for representation learning with graphs. In GAT, every node attends to its neighbors given its own representation as the query.
However, in this paper we show that GAT computes a very limited kind of attention: the ranking of the attention scores is unconditioned on the query node. We formally define this restricted kind of attention as static attention and distinguish it from a strictly more expressive dynamic attention.
Because GATs use a static attention mechanism, there are simple graph problems that GAT cannot express: in a controlled problem, we show that static attention hinders GAT from even fitting the training data. 
To remove this limitation, we introduce a simple fix by modifying the order of operations and propose GATv2: a dynamic graph attention variant that is strictly more expressive than GAT. We perform an extensive evaluation and show that GATv2 outperforms GAT across 12 OGB and other benchmarks while we match their parametric costs. 
Our code is available at https://github.com/tech-srl/how_attentive_are_gats . GATv2 is available as part of the PyTorch Geometric library, the Deep Graph Library, and the TensorFlow GNN library.
Causal Contextual Bandits with Targeted Interventions
Authors: Chandrasekar Subramanian, Balaraman Ravindran
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We study a contextual bandit setting where the learning agent has the ability to perform interventions on targeted subsets of the population, apart from possessing qualitative causal side-information. This novel formalism captures intricacies in real-world scenarios such as software product experimentation where targeted experiments can be conducted. However, this fundamentally changes the set of options that the agent has, compared to standard contextual bandit settings, necessitating new techniques. This is also the first work that integrates causal side-information in a contextual bandit setting, where the agent aims to learn a policy that maps contexts to arms (as opposed to just identifying one best arm). We propose a new algorithm, which we show empirically performs better than baselines on experiments that use purely synthetic data and on real world-inspired experiments. We also prove a bound on regret that theoretically guards performance.
How Well Does Self-Supervised Pre-Training Perform with Streaming Data?
Authors: Dapeng Hu, Shipeng Yan, Qizhengqiu Lu, Lanqing HONG, Hailin Hu, Yifan Zhang, Zhenguo Li, Xinchao Wang, Jiashi Feng
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Prior works on self-supervised pre-training focus on the joint training scenario, where massive unlabeled data are assumed to be given as input all at once, and only then is a learner trained. Unfortunately, such a problem setting is often impractical if not infeasible since many real-world tasks rely on sequential learning, e.g., data are decentralized or collected in a streaming fashion. In this paper, we conduct the first thorough and dedicated investigation on self-supervised pre-training with streaming data, aiming to shed light on the model behavior under this overlooked setup. Specifically, we pre-train over 500 models on four categories of pre-training streaming data from ImageNet and DomainNet and evaluate them on three types of downstream tasks and 12 different downstream datasets. Our studies show that, somehow beyond our expectation, with simple data replay or parameter regularization, sequential self-supervised pre-training turns out to be an efficient alternative for joint pre-training, as the performances of the former are mostly on par with those of the latter. Moreover, catastrophic forgetting, a common issue in sequential supervised learning, is much alleviated in sequential self-supervised learning (SSL), which is well justified through our comprehensive empirical analysis on representations and the sharpness of minima in the loss landscape. Our findings, therefore, suggest that, in practice, for SSL, the cumbersome joint training can be replaced mainly by sequential learning, which in turn enables a much broader spectrum of potential application scenarios.
Resolving Training Biases via Influence-based Data Relabeling
Authors: Shuming Kong, Yanyan Shen, Linpeng Huang
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: The performance of supervised learning methods easily suffers from the training bias issue caused by train-test distribution mismatch or label noise. Influence function is a  technique that estimates the impacts of a training sample on the model’s predictions. Recent studies on \emph{data resampling} have employed influence functions to identify \emph{harmful} training samples that will degrade model's test performance. They have shown that discarding or downweighting the identified harmful training samples is an effective way to resolve training biases. In this work, we move one step forward and propose an influence-based relabeling framework named RDIA for reusing harmful training samples toward better model performance. To achieve this, we use influence functions to estimate how relabeling a training sample would affect model's test performance and further develop a novel relabeling function R. We theoretically prove that applying R to relabel harmful training samples allows the model to achieve lower test loss than simply discarding them for any classification tasks using cross-entropy loss. Extensive experiments on ten real-world datasets demonstrate RDIA outperforms the state-of-the-art data resampling methods and improves model's robustness against label noise.
On Evaluation Metrics for Graph Generative Models
Authors: Rylee Thompson, Boris Knyazev, Elahe Ghalebi, Jungtaek Kim, Graham W. Taylor
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: In image generation, generative models can be evaluated naturally by visually inspecting model outputs. However, this is not always the case for graph generative models (GGMs), making their evaluation challenging. Currently, the standard process for evaluating GGMs suffers from three critical limitations: i) it does not produce a single score which makes model selection challenging, ii) in many cases it fails to consider underlying edge and node features, and iii) it is prohibitively slow to perform. In this work, we mitigate these issues by searching for \emph{scalar, domain-agnostic, and scalable metrics} for evaluating and ranking GGMs. To this end, we study existing GGM metrics and neural-network-based metrics emerging from generative models of images that use embeddings extracted from a task-specific network. Motivated by the power of Graph Neural Networks (GNNs) to extract meaningful graph representations \emph{without any training}, we introduce several metrics based on the features extracted by an untrained random GNN. We design experiments to thoroughly test and objectively score metrics on their ability to measure the diversity and fidelity of generated graphs, as well as their sample and computational efficiency. Depending on the quantity of samples, we recommend one of two metrics from our collection of random-GNN-based metrics. We show these two metrics to be more expressive than pre-existing and alternative random-GNN-based metrics using our objective scoring. While we focus on applying these metrics to GGM evaluation, in practice this enables the ability to easily compute the dissimilarity between any two sets of graphs \emph{regardless of domain}. Our code is released at: https://github.com/uoguelph-mlrg/GGM-metrics.
Multi-Stage Episodic Control for Strategic Exploration in Text Games
Authors: Jens Tuyls, Shunyu Yao, Sham M. Kakade, Karthik R Narasimhan
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Text adventure games present unique challenges to reinforcement learning methods due to their combinatorially large action spaces and sparse rewards. The interplay of these two factors is particularly demanding because large action spaces require extensive exploration, while sparse rewards provide limited feedback. This work proposes to tackle the explore-vs-exploit dilemma using a multi-stage approach that explicitly disentangles these two strategies within each episode. Our algorithm, called eXploit-Then-eXplore (XTX), begins each episode using an exploitation policy that imitates a set of promising trajectories from the past, and then switches over to an exploration policy aimed at discovering novel actions that lead to unseen state spaces. This policy decomposition allows us to combine global decisions about which parts of the game space to return to with curiosity-based local exploration in that space, motivated by how a human may approach these games. Our method significantly outperforms prior approaches by 27% and 11% average normalized score over 12 games from the Jericho benchmark (Hausknecht et al., 2020) in both deterministic and stochastic settings, respectively. On the game of Zork1, in particular, XTX obtains a score of 103, more than a 2x improvement over prior methods, and pushes past several known bottlenecks in the game that have plagued previous state-of-the-art methods.
PiCO: Contrastive Label Disambiguation for Partial Label Learning
Authors: Haobo Wang, Ruixuan Xiao, Yixuan Li, Lei Feng, Gang Niu, Gang Chen, Junbo Zhao
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Partial label learning (PLL) is an important problem that allows each training example to be labeled with a coarse candidate set, which well suits many real-world data annotation scenarios with label ambiguity.  Despite the promise, the performance of PLL often lags behind the supervised counterpart. In this work, we bridge the gap by addressing two key research challenges in PLL---representation learning and label disambiguation---in one coherent framework. Specifically, our proposed framework PiCO consists of a contrastive learning module along with a novel class prototype-based label disambiguation algorithm. PiCO produces closely aligned representations for examples from the same classes and facilitates label disambiguation. Theoretically, we show that these two components are mutually beneficial, and can be rigorously justified from an expectation-maximization (EM) algorithm perspective. Extensive experiments demonstrate that PiCO significantly outperforms the current state-of-the-art approaches in PLL and even achieves comparable results to fully supervised learning. Code and data available: https://github.com/hbzju/PiCO.
Trust Region Policy Optimisation in Multi-Agent Reinforcement Learning
Authors: Jakub Grudzien Kuba, Ruiqing Chen, Muning Wen, Ying Wen, Fanglei Sun, Jun Wang, Yaodong Yang
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Trust region methods rigorously enabled reinforcement learning (RL) agents to learn monotonically improving policies, leading to superior performance on a variety of tasks. Unfortunately, when it comes to multi-agent reinforcement learning (MARL),  the property of monotonic improvement may not simply apply; this is because agents, even in cooperative games, could have conflicting directions of policy updates. As a result, achieving a guaranteed improvement on the joint policy where each agent acts individually remains an open challenge. In this paper, we extend the theory of trust region learning to MARL. Central to our findings are the multi-agent advantage decomposition lemma and the sequential policy update scheme. Based on these, we develop Heterogeneous-Agent Trust Region Policy Optimisation (HATPRO) and Heterogeneous-Agent Proximal Policy Optimisation (HAPPO) algorithms. Unlike many existing MARL algorithms, HATRPO/HAPPO do not need agents to share parameters, nor do they need any restrictive assumptions on decomposibility of the joint value function. Most importantly, we justify in theory the monotonic improvement property of HATRPO/HAPPO. We evaluate the proposed methods on a series of Multi-Agent MuJoCo and StarCraftII tasks. Results show that HATRPO and HAPPO significantly outperform strong baselines such as IPPO, MAPPO and MADDPG on all tested tasks, thereby establishing a new state of the art.
ClimateGAN: Raising Climate Change Awareness by Generating Images of Floods
Authors: Victor Schmidt, Alexandra Luccioni, Mélisande Teng, Tianyu Zhang, Alexia Reynaud, Sunand Raghupathi, Gautier Cosne, Adrien Juraver, Vahe Vardanyan, Alex Hernández-García, Yoshua Bengio
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Climate change is a major threat to humanity and the actions required to prevent its catastrophic consequences include changes in both policy-making and individual behaviour. However, taking action requires understanding its seemingly abstract and distant consequences. Projecting the potential impacts of extreme climate events such as flooding in familiar places can help make the impacts of climate change more concrete and encourage action. As part of a larger initiative to build a website (https://thisclimatedoesnotexist.com) that projects extreme climate events onto user-chosen photos, we present our solution to simulate photo-realistic floods on authentic images. To address this complex task in the absence of suitable data, we propose ClimateGAN, a model that leverages both simulated and real data through unsupervised domain adaptation and conditional image generation. In this paper, we describe the details of our framework, thoroughly evaluate the main components of our architecture and demonstrate that our model is capable of robustly generating photo-realistic flooding on street images.
Efficient Token Mixing for Transformers via Adaptive Fourier Neural Operators
Authors: John Guibas, Morteza Mardani, Zongyi Li, Andrew Tao, Anima Anandkumar, Bryan Catanzaro
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible for high-resolution inputs. To cope with this challenge, we propose Adaptive Fourier Neural Operator (AFNO) as an efficient token mixer that learns to mix in the Fourier domain. AFNO is based on a principled foundation of operator learning which allows us to frame token mixing as a continuous global convolution without any dependence on the input resolution. This principle was previously used to design FNO, which solves global convolution efficiently in the Fourier domain and has shown promise in learning challenging PDEs. To handle challenges in visual representation learning such as discontinuities in images and high resolution inputs, we propose principled architectural modifications to FNO which results in memory and computational efficiency. This includes imposing a block-diagonal structure on the channel mixing weights, adaptively sharing weights across tokens, and sparsifying the frequency modes via soft-thresholding and shrinkage. The resulting model is highly parallel with a quasi-linear complexity and has linear memory in the sequence size. AFNO outperforms self-attention mechanisms for few-shot segmentation in terms of both efficiency and accuracy. For Cityscapes segmentation with the Segformer-B3 backbone, AFNO can handle a sequence size of 65k and outperforms other efficient self-attention mechanisms.
Bayesian Modeling and Uncertainty Quantification for Learning to Optimize: What, Why, and How
Authors: Yuning You, Yue Cao, Tianlong Chen, Zhangyang Wang, Yang Shen
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Optimizing an objective function with uncertainty awareness is well-known to improve the accuracy and confidence of optimization solutions. Meanwhile, another relevant but very different question remains yet open: how to model and quantify the uncertainty of an optimization algorithm (a.k.a., optimizer) itself? To close such a gap, the prerequisite is to consider the optimizers as sampled from a distribution, rather than a few prefabricated and fixed update rules. We first take the novel angle to consider the algorithmic space of optimizers, and provide definitions for the optimizer prior and likelihood, that intrinsically determine the posterior and therefore uncertainty. We then leverage the recent advance of learning to optimize (L2O) for the space parameterization, with the end-to-end training pipeline built via variational inference, referred to as uncertainty-aware L2O (UA-L2O). Our study represents the first effort to recognize and quantify the uncertainty of the optimization algorithm. The extensive numerical results show that, UA-L2O achieves superior uncertainty calibration with accurate confidence estimation and tight confidence intervals, suggesting the improved posterior estimation thanks to considering optimizer uncertainty. Intriguingly, UA-L2O even improves optimization performances for two out of three test functions, the loss function in data privacy attack, and four of five cases of the energy function in protein docking. Our codes are released at https://github.com/Shen-Lab/Bayesian-L2O.
The Three Stages of Learning Dynamics in High-dimensional Kernel Methods
Authors: Nikhil Ghosh, Song Mei, Bin Yu
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: To understand how deep learning works, it is crucial to understand the training dynamics of neural networks. Several interesting hypotheses about these dynamics have been made based on empirically observed phenomena, but there exists a limited theoretical understanding of when and why such phenomena occur. 

In this paper, we consider the training dynamics of gradient flow on kernel least-squares objectives, which is a limiting dynamics of SGD trained neural networks. Using precise high-dimensional asymptotics, we characterize the dynamics of the fitted model in two “worlds”: in the Oracle World the model is trained on the population distribution and in the Empirical World the model is trained on an i.i.d finite dataset. We show that under mild conditions on the kernel and $L^2$ target regression function the training dynamics have three stages that are based on the behaviors of the models in the two worlds. Our theoretical results also mathematically formalize some interesting deep learning phenomena. Specifically, in our setting we show that SGD progressively learns more complex functions and that there is a "deep bootstrap" phenomenon: during the second stage, the test error of both worlds remain close despite the empirical training error being much smaller. Finally, we give a concrete example comparing the dynamics of two different kernels which shows that faster training is not necessary for better generalization.
GRAND++: Graph Neural Diffusion with A Source Term
Authors: Matthew Thorpe, Tan Minh Nguyen, Hedi Xia, Thomas Strohmer, Andrea Bertozzi, Stanley Osher, Bao Wang
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We propose GRAph Neural Diffusion with a source term (GRAND++) for graph deep learning with a limited number of labeled nodes, i.e., low-labeling rate. GRAND++ is a class of continuous-depth graph deep learning architectures whose theoretical underpinning is the diffusion process on graphs with a source term. The source term guarantees two interesting theoretical properties of GRAND++: (i) the representation of graph nodes, under the dynamics of GRAND++, will not converge to a constant vector over all nodes even as the time goes to infinity, which mitigates the over-smoothing issue of graph neural networks and enables graph learning in very deep architectures. (ii) GRAND++ can provide accurate classification even when the model is trained with a very limited number of labeled training data. We experimentally verify the above two advantages on various graph deep learning benchmark tasks, showing a significant improvement over many existing graph neural networks.
Hybrid Random Features
Authors: Krzysztof Marcin Choromanski, Han Lin, Haoxian Chen, Arijit Sehanobish, Yuanzhe Ma, Deepali Jain, Jake Varley, Andy Zeng, Michael S Ryoo, Valerii Likhosherstov, Dmitry Kalashnikov, Vikas Sindhwani, Adrian Weller
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We propose a new class of random feature methods for linearizing softmax and Gaussian kernels called hybrid random features (HRFs) that automatically adapt the quality of kernel estimation to provide most accurate approximation in the defined regions of interest. Special instantiations of HRFs lead to well-known methods such as trigonometric (Rahimi & Recht, 2007) or (recently introduced in the context of linear-attention Transformers) positive random features (Choromanski et al., 2021). By generalizing Bochner’s Theorem for softmax/Gaussian kernels and leveraging random features for compositional kernels, the HRF-mechanism provides strong theoretical guarantees - unbiased approximation and strictly smaller worst-case relative errors than its counterparts.  We conduct exhaustive empirical evaluation of HRF ranging from pointwise kernel estimation experiments, through tests on data admitting clustering structure to benchmarking implicit-attention Transformers (also for downstream Robotics applications), demonstrating its quality in a wide spectrum of machine learning problems.
Policy Gradients Incorporating the Future
Authors: David Venuto, Elaine Lau, Doina Precup, Ofir Nachum
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Reasoning about the future -- understanding how decisions in the present time affect outcomes in the future -- is one of the central challenges for reinforcement learning (RL), especially in highly-stochastic or partially observable environments. While predicting the future directly is hard, in this work we introduce a method that allows an agent to ``look into the future'' without explicitly predicting it. Namely, we propose to allow an agent, during its training on past experience, to observe what \emph{actually} happened in the future at that time, while enforcing an information bottleneck to avoid the agent overly relying on this privileged information. Coupled with recent advances in variational inference and a latent-variable autoregressive model, this gives our agent the ability to utilize rich and \emph{useful} information about the future trajectory dynamics in addition to the present. Our method, Policy Gradients Incorporating the Future (PGIF), is easy to implement and versatile, being applicable to virtually any policy gradient algorithm. We apply our proposed method to a number of off-the-shelf RL algorithms and show that PGIF is able to achieve higher reward faster in a variety of online and offline RL domains, as well as sparse-reward and partially observable environments.
Deconstructing the Inductive Biases of Hamiltonian Neural Networks
Authors: Nate Gruver, Marc Anton Finzi, Samuel Don Stanton, Andrew Gordon Wilson
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Physics-inspired neural networks (NNs), such as Hamiltonian or Lagrangian NNs, dramatically outperform other learned dynamics models by leveraging strong inductive biases. These models, however, are challenging to apply to many real world systems, such as those that don’t conserve energy or contain contacts, a common setting for robotics and reinforcement learning. In this paper, we examine the inductive biases that make physics-inspired models successful in practice. We show that, contrary to conventional wisdom, the improved generalization of HNNs is the result of modeling acceleration directly and avoiding artificial complexity from the coordinate system, rather than symplectic structure or energy conservation. We show that by relaxing the inductive biases of these models, we can match or exceed performance on energy-conserving systems while dramatically improving performance on practical, non-conservative systems. We extend this approach to constructing transition models for common Mujoco environments, showing that our model can appropriately balance inductive biases with the flexibility required for model-based control.
Chaos is a Ladder: A New Theoretical Understanding of Contrastive Learning via Augmentation Overlap
Authors: Yifei Wang, Qi Zhang, Yisen Wang, Jiansheng Yang, Zhouchen Lin
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Recently, contrastive learning has risen to be a promising approach for large-scale self-supervised learning. However, theoretical understanding of how it works is still unclear. In this paper, we propose a new guarantee on the downstream performance without resorting to the conditional independence assumption that is widely adopted in previous work but hardly holds in practice. Our new theory hinges on the insight that the support of different intra-class samples will become more overlapped under aggressive data augmentations, thus simply aligning the positive samples (augmented views of the same sample) could make contrastive learning cluster intra-class samples together. Based on this augmentation overlap perspective, theoretically, we obtain asymptotically closed bounds for downstream performance under weaker assumptions, and empirically, we propose an unsupervised model selection metric ARC that aligns well with downstream accuracy. Our theory suggests an alternative understanding of contrastive learning: the role of aligning positive samples is more like a surrogate task than an ultimate goal, and the overlapped augmented views (i.e., the chaos) create a ladder for contrastive learning to gradually learn class-separated representations. The code for computing ARC is available at https://github.com/zhangq327/ARC.
Model-Based Offline Meta-Reinforcement Learning with Regularization
Authors: Sen Lin, Jialin Wan, Tengyu Xu, Yingbin Liang, Junshan Zhang
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Existing offline reinforcement learning (RL) methods face a few major challenges, particularly the distributional shift between the learned policy and the behavior policy. Offline Meta-RL is emerging as a promising approach to address these challenges, aiming to learn an informative meta-policy from a collection of tasks. Nevertheless, as shown in our empirical studies, offline Meta-RL  could be outperformed  by offline single-task RL methods on tasks with good quality of datasets, indicating that a right balance has to be delicately calibrated  between "exploring" the out-of-distribution state-actions by following the meta-policy and "exploiting" the offline dataset by staying close to the behavior policy. Motivated by such empirical analysis, we propose model-based offline $\text{\bf Me}$ta-RL with $\text{\bf r}$egularized $\text{\bf P}$olicy $\text{\bf O}$ptimization (MerPO), which learns a meta-model for efficient task structure inference and an informative meta-policy for safe exploration of out-of-distribution state-actions. In particular, we devise a new meta-Regularized model-based Actor-Critic (RAC) method for within-task policy optimization, as a key building block  of MerPO, using both conservative policy evaluation and regularized policy improvement; and the intrinsic tradeoff therein is achieved via striking the right balance between two regularizers, one based on the behavior policy and the other on the meta-policy. We theoretically show that the learnt policy offers guaranteed improvement over both the behavior policy and the meta-policy, thus ensuring the performance improvement on new tasks via offline Meta-RL. Our experiments corroborate the superior performance of MerPO over existing offline Meta-RL methods.
Increasing the Cost of Model Extraction with Calibrated Proof of Work
Authors: Adam Dziedzic, Muhammad Ahmad Kaleem, Yu Shen Lu, Nicolas Papernot
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: In model extraction attacks, adversaries can steal a machine learning model exposed via a public API by repeatedly querying it and adjusting their own model based on obtained predictions. To prevent model stealing, existing defenses focus on detecting malicious queries, truncating, or distorting outputs, thus necessarily introducing a tradeoff between robustness and model utility for legitimate users. Instead, we propose to impede model extraction by requiring users to complete a proof-of-work before they can read the model's predictions. This deters attackers by greatly increasing (even up to 100x) the computational effort needed to leverage query access for model extraction. Since we calibrate the effort required to complete the proof-of-work to each query, this only introduces a slight overhead for regular users (up to 2x). To achieve this, our calibration applies tools from differential privacy to measure the information revealed by a query. Our method requires no modification of the victim model and can be applied by machine learning practitioners to guard their publicly exposed models against being easily stolen.