mtybilly/Instruct2DS huggingface dataset:
On the approximation properties of recurrent encoder-decoder architectures
Authors: Zhong Li, Haotian Jiang, Qianxiao Li
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Encoder-decoder architectures have recently gained popularity in sequence to sequence modelling, featuring in state-of-the-art models such as transformers. However, a mathematical understanding of their working principles still remains limited. In this paper, we study the approximation properties of recurrent encoder-decoder architectures. Prior work established theoretical results for RNNs in the linear setting, where approximation capabilities can be related to smoothness and memory of target temporal relationships. Here, we uncover that the encoder and decoder together form a particular “temporal product structure” which determines the approximation efficiency. Moreover, the encoder-decoder architecture generalises RNNs with the capability to learn time-inhomogeneous relationships. Our results provide the theoretical understanding of approximation properties of the recurrent encoder-decoder architecture, which precisely characterises, in the considered setting, the types of temporal relationships that can be efficiently learned.
Dropout Q-Functions for Doubly Efficient Reinforcement Learning
Authors: Takuya Hiraoka, Takahisa Imagawa, Taisei Hashimoto, Takashi Onishi, Yoshimasa Tsuruoka
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Randomized ensembled double Q-learning (REDQ) (Chen et al., 2021b) has recently achieved state-of-the-art sample efficiency on continuous-action reinforcement learning benchmarks. This superior sample efficiency is made possible by using a large Q-function ensemble. However, REDQ is much less computationally efficient than non-ensemble counterparts such as Soft Actor-Critic (SAC) (Haarnoja et al., 2018a). To make REDQ more computationally efficient, we propose a method of improving computational efficiency called DroQ, which is a variant of REDQ that uses a small ensemble of dropout Q-functions. Our dropout Q-functions are simple Q-functions equipped with dropout connection and layer normalization. Despite its simplicity of implementation, our experimental results indicate that DroQ is doubly (sample and computationally) efficient. It achieved comparable sample efficiency with REDQ, much better computational efficiency than REDQ, and comparable computational efficiency with that of SAC.
Learning to Remember Patterns: Pattern Matching Memory Networks for Traffic Forecasting
Authors: Hyunwook Lee, Seungmin Jin, Hyeshin Chu, Hongkyu Lim, Sungahn Ko
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Traffic forecasting is a challenging problem due to complex road networks and sudden speed changes caused by various events on roads. Several models have been proposed to solve this challenging problem, with a focus on learning the spatio-temporal dependencies of roads. In this work, we propose a new perspective for converting the forecasting problem into a pattern-matching task, assuming that large traffic data can be represented by a set of patterns. To evaluate the validity of this new perspective, we design a novel traffic forecasting model called Pattern-Matching Memory Networks (PM-MemNet), which learns to match input data to representative patterns with a key-value memory structure. We first extract and cluster representative traffic patterns that serve as keys in the memory. Then, by matching the extracted keys and inputs, PM-MemNet acquires the necessary information on existing traffic patterns from the memory and uses it for forecasting. To model the spatio-temporal correlation of traffic, we proposed a novel memory architecture, GCMem, which integrates attention and graph convolution. The experimental results indicate that PM-MemNet is more accurate than state-of-the-art models, such as Graph WaveNet, with higher responsiveness. We also present a qualitative analysis describing how PM-MemNet works and achieves higher accuracy when road speed changes rapidly.
TAMP-S2GCNets: Coupling Time-Aware Multipersistence Knowledge Representation with Spatio-Supra Graph Convolutional Networks for Time-Series Forecasting
Authors: Yuzhou Chen, Ignacio Segovia-Dominguez, Baris Coskunuzer, Yulia Gel
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Graph Neural Networks (GNNs) are proven to be a powerful machinery for learning complex dependencies in multivariate spatio-temporal processes. However, most existing GNNs have inherently static architectures, and as a result, do not explicitly account for time dependencies of the encoded knowledge and are limited in their ability to simultaneously infer latent time-conditioned relations among entities. We postulate that such hidden time-conditioned properties may be captured by the tools of multipersistence, i.e, a emerging machinery in topological data analysis which allows us to quantify dynamics of the data shape along multiple geometric dimensions. 
 We make the first step toward integrating the two rising research directions, that is, time-aware deep learning and multipersistence, and propose a new model, Time-Aware Multipersistence Spatio-Supra Graph Convolutional Network (TAMP-S2GCNets). We summarize inherent time-conditioned topological properties of the data as time-aware multipersistence Euler-Poincar\'e surface and prove its stability. We then construct a supragraph convolution module which simultaneously accounts for the extracted intra- and inter- spatio-temporal dependencies in the data. Our extensive experiments on highway traffic flow, Ethereum token prices, and COVID-19 hospitalizations demonstrate that TAMP-S2GCNets outperforms the state-of-the-art tools in multivariate time series forecasting tasks.
A Conditional Point Diffusion-Refinement Paradigm for 3D Point Cloud Completion
Authors: Zhaoyang Lyu, Zhifeng Kong, Xudong XU, Liang Pan, Dahua Lin
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: 3D point clouds are an important data format that captures 3D information for real world objects.  Since 3D point clouds scanned in the real world are often incomplete, it is important to recover the complete point cloud for many downstreaming applications. Most existing point cloud completion methods use the Chamfer Distance (CD) loss for training. The CD loss estimates correspondences between two point clouds by searching nearest neighbors, which does not capture the overall point distribution on the generated shape, and therefore likely leads to non-uniform point cloud generation. To tackle this problem, we propose a novel Point Diffusion-Refinement (PDR) paradigm for point cloud completion. PDR consists of a Conditional Generation Network (CGNet) and a ReFinement Network (RFNet). The CGNet uses a conditional generative model called the denoising diffusion probabilistic model (DDPM) to generate a coarse completion conditioned on the partial observation. DDPM establishes a one-to-one pointwise mapping between the generated point cloud and the uniform ground truth, and then optimizes the mean squared error loss to realize uniform generation. The RFNet refines the coarse output of the CGNet and further improves quality of the completed point cloud.  In terms of the architecture, we develop a novel dual-path architecture for both networks. The architecture can (1) effectively and efficiently extract multi-level features from partially observed point clouds to guide completion, and (2) accurately manipulate spatial locations of 3D points to obtain smooth surfaces and sharp details. Extensive experimental results on various benchmark datasets show that our PDR paradigm outperforms previous state-of-the-art methods for point cloud completion. In addition, with the help of the RFNet,  we can accelerate the iterative generation process of the DDPM by up to 50 times without much performance drop.
Learning Super-Features for Image Retrieval
Authors: Philippe Weinzaepfel, Thomas Lucas, Diane Larlus, Yannis Kalantidis
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Methods that combine local and global features have recently shown excellent performance on multiple challenging deep image retrieval benchmarks, but their use of local features raises at least two issues. First, these local features simply boil down to the localized map activations of a neural network, and hence can be extremely redundant. Second, they are typically trained with a global loss that only acts on top of an aggregation of local features; by contrast, testing is based on local feature matching, which creates a discrepancy between training and testing. In this paper, we propose a novel architecture for deep image retrieval, based solely on mid-level features that we call Super-features. These Super-features are constructed by an iterative attention module and constitute an ordered set in which each element focuses on a localized and discriminant image pattern. For training, they require only image labels. A contrastive loss operates directly at the level of Super-features and focuses on those that match across images. A second complementary loss encourages diversity. Experiments on common landmark retrieval benchmarks validate that Super-features substantially outperform state-of-the-art methods when using the same number of features, and only require a significantly smaller memory footprint to match their performance. Code and models are available at: https://github.com/naver/FIRe.
Understanding and Improving Graph Injection Attack by Promoting Unnoticeability
Authors: Yongqiang Chen, Han Yang, Yonggang Zhang, MA KAILI, Tongliang Liu, Bo Han, James Cheng
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Recently Graph Injection Attack (GIA) emerges as a practical attack scenario on Graph Neural Networks (GNNs), where the adversary can merely inject few malicious nodes instead of modifying existing nodes or edges, i.e., Graph Modification Attack (GMA). Although GIA has achieved promising results, little is known about why it is successful and whether there is any pitfall behind the success. To understand the power of GIA, we compare it with GMA and find that GIA can be provably more harmful than GMA due to its relatively high flexibility. However, the high flexibility will also lead to great damage to the homophily distribution of the original graph, i.e., similarity among neighbors. Consequently, the threats of GIA can be easily alleviated or even prevented by homophily-based defenses designed to recover the original homophily. To mitigate the issue, we introduce a novel constraint – homophily unnoticeability that enforces GIA to preserve the homophily, and propose Harmonious Adversarial Objective (HAO) to instantiate it. Extensive experiments verify that GIA with HAO can break homophily-based defenses and outperform previous GIA attacks by a significant margin. We believe our methods can serve for a more reliable evaluation of the robustness of GNNs.
Pareto Policy Adaptation
Authors: Panagiotis Kyriakis, Jyotirmoy Deshmukh, Paul Bogdan
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We present a policy gradient method for Multi-Objective Reinforcement Learning under unknown, linear preferences. By enforcing Pareto stationarity, a first-order condition for Pareto optimality, we are able to design a simple policy gradient algorithm that approximates the Pareto front and infers the unknown preferences. Our method relies on a projected gradient descent solver that identifies common ascent directions for all objectives. Leveraging the solution of that solver, we introduce Pareto Policy Adaptation (PPA), a loss function that adapts the policy to be optimal with respect to any distribution over preferences. PPA uses implicit differentiation to back-propagate the loss gradient bypassing the operations of the projected gradient descent solver. Our approach is straightforward, easy to implement and can be used with all existing policy gradient and actor-critic methods. We evaluate our method in a series of reinforcement learning tasks
Fairness Guarantees under Demographic Shift
Authors: Stephen Giguere, Blossom Metevier, Bruno Castro da Silva, Yuriy Brun, Philip S. Thomas, Scott Niekum
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Recent studies have demonstrated that using machine learning for social applications can lead to injustice in the form of racist, sexist, and otherwise unfair and discriminatory outcomes. To address this challenge, recent machine learning algorithms have been designed to limit the likelihood such unfair behaviors will occur. However, these approaches typically assume the data used for training is representative of what will be encountered once the model is deployed, thus limiting their usefulness. In particular, if certain subgroups of the population become more or less probable after the model is deployed (a phenomenon we call demographic shift), the fair-ness assurances provided by prior algorithms are often invalid. We consider the impact of demographic shift and present a class of algorithms, called Shifty algorithms, that provide high-confidence behavioral guarantees that hold under demographic shift. Shifty is the first technique of its kind and demonstrates an effective strategy for designing algorithms to overcome the challenges demographic shift poses. We evaluate Shifty-ttest, an implementation of Shifty based on Student’s 𝑡-test, and, using a real-world data set of university entrance exams and subsequent student success, show that the models output by our algorithm avoid unfair bias under demo-graphic shift, unlike existing methods. Our experiments demonstrate that our algorithm’s high-confidence fairness guarantees are valid in practice and that our algorithm is an effective tool for training models that are fair when demographic shift occurs.
Differentiable Scaffolding Tree for Molecule Optimization
Authors: Tianfan Fu, Wenhao Gao, Cao Xiao, Jacob Yasonik, Connor W. Coley, Jimeng Sun
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: The structural design of functional molecules, also called molecular optimization, is an essential chemical science and engineering task with important applications, such as drug discovery. Deep generative models and combinatorial optimization methods achieve initial success but still struggle with directly modeling discrete chemical structures and often heavily rely on brute-force enumeration. The challenge comes from the discrete and non-differentiable nature of molecule structures. To address this, we propose differentiable scaffolding tree (DST) that utilizes a learned knowledge network to convert discrete chemical structures to locally differentiable ones. DST enables a gradient-based optimization on a chemical graph structure by back-propagating the derivatives from the target properties through a graph neural network (GNN). Our empirical studies show the gradient-based molecular optimizations are both effective and sample efficient (in terms of oracle calling number). Furthermore, the learned graph parameters can also provide an explanation that helps domain experts understand the model output. The code repository (including processed data, trained model, demonstration, molecules with the highest property) is available at https://github.com/futianfan/DST.
Graph Neural Networks with Learnable Structural and Positional Representations
Authors: Vijay Prakash Dwivedi, Anh Tuan Luu, Thomas Laurent, Yoshua Bengio, Xavier Bresson
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A major issue with arbitrary graphs is the absence of canonical positional information of nodes, which decreases the representation power of GNNs to distinguish e.g. isomorphic nodes and other graph symmetries. An approach to tackle this issue is to introduce Positional Encoding (PE) of nodes, and inject it into the input layer, like in Transformers. Possible graph PE are Laplacian eigenvectors. In this work, we propose to decouple structural and positional representations to make easy for the network to learn these two essential properties. We introduce a novel generic architecture which we call \texttt{LSPE} (Learnable Structural and Positional Encodings). We investigate several sparse and fully-connected (Transformer-like) GNNs, and observe a performance increase for molecular datasets, from $1.79\%$ up to $64.14\%$ when considering learnable PE for both GNN classes.
iLQR-VAE : control-based learning of input-driven dynamics with applications to neural data
Authors: Marine Schimel, Ta-Chu Kao, Kristopher T Jensen, Guillaume Hennequin
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Understanding how neural dynamics give rise to behaviour is one of the most fundamental questions in systems neuroscience. To achieve this, a common approach is to record neural populations in behaving animals, and model these data as emanating from a latent dynamical system whose state trajectories can then be related back to behavioural observations via some form of decoding. As recordings are typically performed in localized circuits that form only a part of the wider implicated network, it is important to simultaneously learn the local dynamics and infer any unobserved external input that might drive them. Here, we introduce iLQR-VAE, a novel control-based approach to variational inference in nonlinear dynamical systems, capable of learning both latent dynamics, initial conditions, and ongoing external inputs. As in recent deep learning approaches, our method is based on an input-driven sequential variational autoencoder (VAE). The main novelty lies in the use of the powerful iterative linear quadratic regulator algorithm (iLQR) in the recognition model. Optimization of the standard evidence lower-bound requires differentiating through iLQR solutions, which is made possible by recent advances in differentiable control. Importantly, having the recognition model be implicitly defined by the generative model greatly reduces the number of free parameters and allows for flexible, high-quality inference. This makes it possible for instance to evaluate the model on a single long trial after training on smaller chunks. We demonstrate the effectiveness of iLQR-VAE on a range of synthetic systems, with autonomous as well as input-driven dynamics. We further apply it to neural and behavioural recordings in non-human primates performing two different reaching tasks, and show that iLQR-VAE yields high-quality kinematic reconstructions from the neural data.
Context-Aware Sparse Deep Coordination Graphs
Authors: Tonghan Wang, Liang Zeng, Weijun Dong, Qianlan Yang, Yang Yu, Chongjie Zhang
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Learning sparse coordination graphs adaptive to the coordination dynamics among agents is a long-standing problem in cooperative multi-agent learning. This paper studies this problem and proposes a novel method using the variance of payoff functions to construct context-aware sparse coordination topologies. We theoretically consolidate our method by proving that the smaller the variance of payoff functions is, the less likely action selection will change after removing the corresponding edge. Moreover, we propose to learn action representations to effectively reduce the influence of payoff functions' estimation errors on graph construction. To empirically evaluate our method, we present the Multi-Agent COordination (MACO) benchmark by collecting classic coordination problems in the literature, increasing their difficulty, and classifying them into different types. We carry out a case study and experiments on the MACO and StarCraft II micromanagement benchmark to demonstrate the dynamics of sparse graph learning, the influence of graph sparseness, and the learning performance of our method.
A Theoretical Analysis on Feature Learning in Neural Networks: Emergence from Inputs and Advantage over Fixed Features
Authors: Zhenmei Shi, Junyi Wei, Yingyu Liang
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: An important characteristic of neural networks is their ability to learn representations of the input data with effective features for prediction, which is believed to be a key factor to their superior empirical performance. To better understand the source and benefit of feature learning in neural networks, we consider learning problems motivated by practical data, where the labels are determined by a set of class relevant patterns and the inputs are generated from these along with some background patterns. We prove that neural networks trained by gradient descent can succeed on these problems. The success relies on the emergence and improvement of effective features, which are learned among exponentially many candidates efficiently by exploiting the data (in particular, the structure of the input distribution). In contrast, no linear models on data-independent features of polynomial sizes can learn to as good errors. Furthermore, if the specific input structure is removed, then no polynomial algorithm in the Statistical Query model can learn even weakly. These results provide theoretical evidence showing that feature learning in neural networks depends strongly on the input structure and leads to the superior performance. Our preliminary experimental results on synthetic and real data also provide positive support.
Expressiveness and Approximation Properties of Graph Neural Networks
Authors: Floris Geerts, Juan L Reutter
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Characterizing the separation power of graph neural networks (GNNs) provides an understanding of their limitations for graph learning tasks. Results regarding separation power are, however, usually geared at specific GNNs architectures, and tools for understanding arbitrary GNN architectures are generally lacking. We provide an elegant way to easily obtain bounds on the separation power of GNNs in terms of the Weisfeiler-Leman (WL) tests, which have become the yardstick to measure the separation power of GNNs. The crux is to view GNNs as expressions in a procedural tensor language describing the computations in the layers of the GNNs. Then, by a simple analysis of the obtained expressions, in terms of the number of indexes used and the nesting depth of summations, bounds on the separation power in terms of the WL-tests readily follow. We use tensor language to define Higher-Order Message-Passing Neural Networks (or k-MPNNs), a natural extension of MPNNs. Furthermore, the tensor language point of view allows for the derivation of universality results for classes of GNNs in a natural way. Our approach provides a toolbox with which GNN architecture designers can analyze the separation power of their GNNs, without needing to know the intricacies of the WL-tests. We also provide insights in what is needed to boost the separation power of GNNs.
D-CODE: Discovering Closed-form ODEs from Observed Trajectories
Authors: Zhaozhi Qian, Krzysztof Kacprzyk, Mihaela van der Schaar
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: For centuries, scientists have manually designed closed-form ordinary differential equations (ODEs) to model dynamical systems. An automated tool to distill closed-form ODEs from observed trajectories would accelerate the modeling process. Traditionally, symbolic regression is used to uncover a closed-form prediction function $a=f(b)$ with label-feature pairs $(a_i, b_i)$ as training examples. However, an ODE models the time derivative $\dot{x}(t)$ of a dynamical system, e.g. $\dot{x}(t) = f(x(t),t)$, and the "label" $\dot{x}(t)$ is usually *not* observed. The existing ways to bridge this gap only perform well for a narrow range of settings with low measurement noise, frequent sampling, and non-chaotic dynamics. In this work, we propose the Discovery of Closed-form ODE framework (D-CODE), which advances symbolic regression beyond the paradigm of supervised learning. D-CODE leverages a novel objective function based on the variational formulation of ODEs to bypass the unobserved time derivative. For formal justification, we prove that this objective is a valid proxy for the estimation error of the true (but unknown) ODE. In the experiments, D-CODE successfully discovered the governing equations of a diverse range of dynamical systems under challenging measurement settings with high noise and infrequent sampling.
Spanning Tree-based Graph Generation for Molecules
Authors: Sungsoo Ahn, Binghong Chen, Tianzhe Wang, Le Song
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: In this paper, we explore the problem of generating molecules using deep neural networks, which has recently gained much interest in chemistry. To this end, we propose a spanning tree-based graph generation (STGG) framework based on formulating molecular graph generation as a construction of a spanning tree and the residual edges. Such a formulation exploits the sparsity of molecular graphs and allows using compact tree-constructive operations to define the molecular graph connectivity. Based on the intermediate graph structure of the construction process, our framework can constrain its generation to molecular graphs that satisfy the chemical valence rules. We also newly design a Transformer architecture with tree-based relative positional encodings for realizing the tree construction procedure. Experiments on QM9, ZINC250k, and MOSES benchmarks verify the effectiveness of the proposed framework in metrics such as validity, Frechet ChemNet distance, and fragment similarity. We also demonstrate the usefulness of STGG in maximizing penalized LogP value of molecules.
ViDT: An Efficient and Effective Fully Transformer-based Object Detector
Authors: Hwanjun Song, Deqing Sun, Sanghyuk Chun, Varun Jampani, Dongyoon Han, Byeongho Heo, Wonjae Kim, Ming-Hsuan Yang
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Transformers are transforming the landscape of computer vision, especially for recognition tasks. Detection transformers are the first fully end-to-end learning systems for object detection, while vision transformers are the first fully transformer-based architecture for image classification. In this paper, we integrate Vision and Detection Transformers (ViDT) to build an effective and efficient object detector. ViDT introduces a reconfigured attention module to extend the recent Swin Transformer to be a standalone object detector, followed by a computationally efficient transformer decoder that exploits multi-scale features and auxiliary techniques essential to boost the detection performance without much increase in computational load. Extensive evaluation results on the Microsoft COCO benchmark dataset demonstrate that ViDT obtains the best AP and latency trade-off among existing fully transformer-based object detectors, and achieves 49.2AP owing to its high scalability for large models. We release the code and trained models at https://github.com/naver-ai/vidt.
Neural Collapse Under MSE Loss: Proximity to and Dynamics on the Central Path
Authors: X.Y. Han, Vardan Papyan, David L. Donoho
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: The recently discovered Neural Collapse (NC) phenomenon occurs pervasively in today's deep net training paradigm of driving cross-entropy (CE) loss towards zero. During NC, last-layer features collapse to their class-means, both classifiers and class-means collapse to the same Simplex Equiangular Tight Frame, and classifier behavior collapses to the nearest-class-mean decision rule. Recent works demonstrated that deep nets trained with mean squared error (MSE) loss perform comparably to those trained with CE. As a preliminary, we empirically establish that NC emerges in such MSE-trained deep nets as well through experiments on three canonical networks and five benchmark datasets. We provide, in a Google Colab notebook, PyTorch code for reproducing MSE-NC and CE-NC: https://colab.research.google.com/github/neuralcollapse/neuralcollapse/blob/main/neuralcollapse.ipynb. The analytically-tractable MSE loss offers more mathematical opportunities than the hard-to-analyze CE loss, inspiring us to leverage MSE loss towards the theoretical investigation of NC. We develop three main contributions: (I) We show a new decomposition of the MSE loss into (A) terms directly interpretable through the lens of NC and which assume the last-layer classifier is exactly the least-squares classifier; and (B) a term capturing the deviation from this least-squares classifier. (II) We exhibit experiments on canonical datasets and networks demonstrating that term-(B) is negligible during training. This motivates us to introduce a new theoretical construct: the central path, where the linear classifier stays MSE-optimal for feature activations throughout the dynamics. (III) By studying renormalized gradient flow along the central path, we derive exact dynamics that predict NC.
On Covariate Shift of Latent Confounders in Imitation and Reinforcement Learning
Authors: Guy Tennenholtz, Assaf Hallak, Gal Dalal, Shie Mannor, Gal Chechik, Uri Shalit
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We consider the problem of using expert data with unobserved confounders for imitation and reinforcement learning. We begin by defining the problem of learning from confounded expert data in a contextual MDP setup. We analyze the limitations of learning from such data with and without external reward and propose an adjustment of standard imitation learning algorithms to fit this setup. In addition, we discuss the problem of distribution shift between the expert data and the online environment when partial observability is present in the data. We prove possibility and impossibility results for imitation learning under arbitrary distribution shift of the missing covariates. When additional external reward is provided, we propose a sampling procedure that addresses the unknown shift and prove convergence to an optimal solution. Finally, we validate our claims empirically on challenging assistive healthcare and recommender system simulation tasks.
On the Limitations of Multimodal VAEs
Authors: Imant Daunhawer, Thomas M. Sutter, Kieran Chin-Cheong, Emanuele Palumbo, Julia E Vogt
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Multimodal variational autoencoders (VAEs) have shown promise as efficient generative models for weakly-supervised data. Yet, despite their advantage of weak supervision, they exhibit a gap in generative quality compared to unimodal VAEs, which are completely unsupervised. In an attempt to explain this gap, we uncover a fundamental limitation that applies to a large family of mixture-based multimodal VAEs. We prove that the sub-sampling of modalities enforces an undesirable upper bound on the multimodal ELBO and thereby limits the generative quality of the respective models.  Empirically, we showcase the generative quality gap on both synthetic and real data and present the tradeoffs between different variants of multimodal VAEs. We find that none of the existing approaches fulfills all desired criteria of an effective multimodal generative model when applied on more complex datasets than those used in previous benchmarks. In summary, we identify, formalize, and validate fundamental limitations of VAE-based approaches for modeling weakly-supervised data and discuss implications for real-world applications.
Long Expressive Memory for Sequence Modeling
Authors: T. Konstantin Rusch, Siddhartha Mishra, N. Benjamin Erichson, Michael W. Mahoney
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We propose a novel method called Long Expressive Memory (LEM) for learning long-term sequential dependencies. LEM is gradient-based, it can efficiently process sequential tasks with very long-term dependencies, and it is sufficiently expressive to be able to learn complicated input-output maps. To derive LEM, we consider a system of multiscale ordinary differential equations, as well as a suitable time-discretization of this system. For LEM, we derive rigorous bounds to show the mitigation of the exploding and vanishing gradients problem, a well-known challenge for gradient-based recurrent sequential learning methods. We also prove that LEM can approximate a large class of dynamical systems to high accuracy. Our empirical results, ranging from image and time-series classification through dynamical systems prediction to speech recognition and language modeling, demonstrate that LEM outperforms state-of-the-art recurrent neural networks, gated recurrent units, and long short-term memory models.
Continual Normalization: Rethinking Batch Normalization for Online Continual Learning
Authors: Quang Pham, Chenghao Liu, Steven HOI
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Existing continual learning methods use Batch Normalization (BN) to facilitate training and improve generalization across tasks. However, the non-i.i.d and non-stationary nature of continual learning data, especially in the online setting, amplify the discrepancy between training and testing in BN and hinder the performance of older tasks. In this work, we study the cross-task normalization effect of BN in online continual learning where BN normalizes the testing data using moments biased towards the current task, resulting in higher catastrophic forgetting. This limitation motivates us to propose a simple yet effective method that we call Continual Normalization (CN) to facilitate training similar to BN while mitigating its negative effect. Extensive experiments on different continual learning algorithms and online scenarios show that CN is a direct replacement for BN and can provide substantial performance improvements. Our implementation will be made publicly available upon acceptance.
Sample Efficient Deep Reinforcement Learning via Uncertainty Estimation
Authors: Vincent Mai, Kaustubh Mani, Liam Paull
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: In model-free deep reinforcement learning (RL) algorithms, using noisy value estimates to supervise policy evaluation and optimization is detrimental to the sample efficiency. As this noise is heteroscedastic, its effects can be mitigated using uncertainty-based weights in the optimization process. Previous methods rely on sampled ensembles, which do not capture all aspects of uncertainty. We provide a systematic analysis of the sources of uncertainty in the noisy supervision that occurs in RL, and introduce inverse-variance RL, a Bayesian framework which combines probabilistic ensembles and Batch Inverse Variance weighting. We propose a method whereby two complementary uncertainty estimation methods account for both the Q-value and the environment stochasticity to better mitigate the negative impacts of noisy supervision. Our results show significant improvement in terms of sample efficiency on discrete and continuous control tasks.
Mind the Gap: Domain Gap Control for Single Shot Domain Adaptation for Generative Adversarial Networks
Authors: Peihao Zhu, Rameen Abdal, John Femiani, Peter Wonka
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: We present a new method for one shot domain adaptation. The input to our method is trained GAN that can produce images in domain A and a single reference image I_B from domain B. The proposed algorithm can translate any output of the trained GAN from domain A to domain B. There are two main advantages of our method compared to the current state of the art: First, our solution achieves higher visual quality, e.g. by noticeably reducing overfitting. Second, our solution allows for more degrees of freedom to control the domain gap, i.e. what aspects of image I_B are used to define the domain B. Technically, we realize the new method by building on a pre-trained StyleGAN generator as GAN and a pre-trained CLIP model for representing the domain gap. We propose several new regularizers for controlling the domain gap to optimize the weights of the pre-trained StyleGAN generator to output images in domain B instead of domain A. The regularizers prevent the optimization from taking on too many attributes of the single reference image. Our results show significant visual improvements over the state of the art as well as multiple applications that highlight improved control.
EXACT: Scalable Graph Neural Networks Training via Extreme Activation Compression
Authors: Zirui Liu, Kaixiong Zhou, Fan Yang, Li Li, Rui Chen, Xia Hu
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Training Graph Neural Networks (GNNs) on large graphs is a fundamental challenge due to the high memory usage, which is mainly occupied by activations (e.g., node embeddings). Previous works usually focus on reducing the number of nodes retained in memory.
In parallel, unlike what has been developed for other types of neural networks, training with compressed activation maps is less explored for GNNs. This extension is notoriously difficult to implement due to the miss of necessary tools in common graph learning packages. To unleash the potential of this direction, we provide {  an} optimized GPU implementation which supports training GNNs with compressed activations. Based on the implementation, we propose a memory-efficient framework called ``EXACT'', which for the first time demonstrate the potential and evaluate the feasibility of training GNNs with compressed activations. We systematically analyze the trade-off among the memory saving, time overhead, and accuracy drop. In practice, EXACT can reduce the memory footprint of activations by up to $32\times$ with $0.2$-$0.5\%$ accuracy drop and $10$-$25\%$ time overhead across different models and datasets. We implement EXACT as an extension for Pytorch Geometric and Pytorch. In practice, for Pytorch Geometric, EXACT can trim down the hardware requirement of training a three-layer full-batch GraphSAGE on \textit{ogbn-products} from a 48GB GPU to a 12GB GPU.
MobileViT: Light-weight, General-purpose, and Mobile-friendly Vision Transformer
Authors: Sachin Mehta, Mohammad Rastegari
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Light-weight convolutional neural networks (CNNs) are the de-facto for mobile vision tasks. Their spatial inductive biases allow them to learn representations with fewer parameters across different vision tasks. However, these networks are spatially local. To learn global representations, self-attention-based vision trans-formers (ViTs) have been adopted. Unlike CNNs, ViTs are heavy-weight. In this paper, we ask the following question: is it possible to combine the strengths of CNNs and ViTs to build a light-weight and low latency network for mobile vision tasks? Towards this end, we introduce MobileViT, a light-weight and general-purpose vision transformer for mobile devices. MobileViT presents a different perspective for the global processing of information with transformers, i.e., transformers as convolutions. Our results show that MobileViT significantly outperforms CNN- and ViT-based networks across different tasks and datasets. On the ImageNet-1k dataset, MobileViT achieves top-1 accuracy of 78.4% with about 6 million parameters, which is 3.2% and 6.2% more accurate than MobileNetv3 (CNN-based) and DeIT (ViT-based) for a similar number of parameters. On the MS-COCO object detection task, MobileViT is 5.7% more accurate than MobileNetv3 for a similar number of parameters. 

Our source code is open-source and available at: https://github.com/apple/ml-cvnets
Value Function Spaces: Skill-Centric State Abstractions for Long-Horizon Reasoning
Authors: Dhruv Shah, Peng Xu, Yao Lu, Ted Xiao, Alexander T Toshev, Sergey Levine, brian ichter
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Reinforcement learning can train policies that effectively perform complex tasks. However for long-horizon tasks, the performance of these methods degrades with horizon, often necessitating reasoning over and chaining lower-level skills. Hierarchical reinforcement learning aims to enable this by providing a bank of low-level skills as action abstractions. Hierarchies can further improve on this by abstracting the space states as well. We posit that a suitable state abstraction should depend on the capabilities of the available lower-level policies. We propose Value Function Spaces: a simple approach that produces such a representation by using the value functions corresponding to each lower-level skill. These value functions capture the affordances of the scene, thus forming a  representation that compactly abstracts task relevant information and robustly ignores distractors. Empirical evaluations for maze-solving and robotic manipulation tasks demonstrate that our approach improves long-horizon performance and enables better zero-shot generalization than alternative model-free and model-based methods.
Towards Continual Knowledge Learning of Language Models
Authors: Joel Jang, Seonghyeon Ye, Sohee Yang, Joongbo Shin, Janghoon Han, Gyeonghun KIM, Stanley Jungkyu Choi, Minjoon Seo
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Large Language Models (LMs) are known to encode world knowledge in their parameters as they pretrain on a vast amount of web corpus, which is often utilized for performing knowledge-dependent downstream tasks such as question answering, fact-checking, and open dialogue. In real-world scenarios, the world knowledge stored in the LMs can quickly become outdated as the world changes, but it is non-trivial to avoid catastrophic forgetting and reliably acquire new knowledge while preserving invariant knowledge. To push the community towards better maintenance of ever-changing LMs, we formulate a new continual learning (CL) problem called Continual Knowledge Learning (CKL). We construct a new benchmark and metric to quantify the retention of time-invariant world knowledge, the update of outdated knowledge, and the acquisition of new knowledge. We adopt applicable recent methods from literature to create several strong baselines. Through extensive experiments, we find that CKL exhibits unique challenges that are not addressed in previous CL setups, where parameter expansion is necessary to reliably retain and learn knowledge simultaneously. By highlighting the critical causes of knowledge forgetting, we show that CKL is a challenging and important problem that helps us better understand and train ever-changing LMs.
Superclass-Conditional Gaussian Mixture Model For Learning Fine-Grained Embeddings
Authors: Jingchao Ni, Wei Cheng, Zhengzhang Chen, Takayoshi Asakura, Tomoya Soma, Sho Kato, Haifeng Chen
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Learning fine-grained embeddings is essential for extending the generalizability of models pre-trained on "coarse" labels (e.g., animals). It is crucial to fields for which fine-grained labeling (e.g., breeds of animals) is expensive, but fine-grained prediction is desirable, such as medicine. The dilemma necessitates adaptation of a "coarsely" pre-trained model to new tasks with a few "finer-grained" training labels. However, coarsely supervised pre-training tends to suppress intra-class variation, which is vital for cross-granularity adaptation. In this paper, we develop a training framework underlain by a novel superclass-conditional Gaussian mixture model (SCGM). SCGM imitates the generative process of samples from hierarchies of classes through latent variable modeling of the fine-grained subclasses. The framework is agnostic to the encoders and only adds a few distribution related parameters, thus is efficient, and flexible to different domains. The model parameters are learned end-to-end by maximum-likelihood estimation via a principled Expectation-Maximization algorithm. Extensive experiments on benchmark datasets and a real-life medical dataset indicate the effectiveness of our method.
Joint Shapley values: a measure of joint feature importance
Authors: Chris Harris, Richard Pymar, Colin Rowat
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: The Shapley value is one of the most widely used measures of feature importance partly as it measures a feature's average effect on a model's prediction.  We introduce joint Shapley values, which directly extend Shapley's axioms and intuitions: joint Shapley values measure a set of features' average effect on a model's prediction.  We prove the uniqueness of joint Shapley values, for any order of explanation.  Results for games show that joint Shapley values present different insights from existing interaction indices, which assess the effect of a feature within a set of features.  The joint Shapley values seem to provide sensible results in ML attribution problems.  With binary features, we present a presence-adjusted global value that is more consistent with local intuitions than the usual approach.
Solving Inverse Problems in Medical Imaging with Score-Based Generative Models
Authors: Yang Song, Liyue Shen, Lei Xing, Stefano Ermon
Published in: International Conference on Learning Representations 2022 (Main Conference Track), 2022

Abstract: Reconstructing medical images from partial measurements is an important inverse problem in Computed Tomography (CT) and Magnetic Resonance Imaging (MRI). Existing solutions based on machine learning typically train a model to directly map measurements to medical images, leveraging a training dataset of paired images and measurements. These measurements are typically synthesized from images using a fixed physical model of the measurement process, which hinders the generalization capability of models to unknown measurement processes. To address this issue, we propose a fully unsupervised technique for inverse problem solving, leveraging the recently introduced score-based generative models. Specifically, we first train a score-based generative model on medical images to capture their prior distribution. Given measurements and a physical model of the measurement process at test time, we introduce a sampling method to reconstruct an image consistent with both the prior and the observed measurements. Our method does not assume a fixed measurement process during training, and can thus be flexibly adapted to different measurement processes at test time. Empirically, we observe comparable or better performance to supervised learning techniques in several medical imaging tasks in CT and MRI, while demonstrating significantly better generalization to unknown measurement processes.