pwc-archive/papers-with-abstracts huggingface dataset:
Low-Fidelity Video Encoder Optimization for Temporal Action Localization
Authors: Mengmeng Xu, Juan Manuel Perez Rua, Xiatian Zhu, Bernard Ghanem, Brais Martinez
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Action Classification, Action Localization, GPU, Optical Flow Estimation, Temporal Action Localization, Transfer Learning

Most existing temporal action localization (TAL) methods rely on a transfer learning pipeline: by first optimizing a video encoder on a large action classification dataset (i.e., source domain), followed by freezing the encoder and training a TAL head on the action localization dataset (i.e., target domain). This results in a task discrepancy problem for the video encoder – trained for action classification, but used for TAL. Intuitively, joint optimization with both the video encoder and TAL head is a strong baseline solution to this discrepancy. However, this is not operable for TAL subject to the GPU memory constraints, due to the prohibitive computational cost in processing long untrimmed videos. In this paper, we resolve this challenge by introducing a novel low-fidelity (LoFi) video encoder optimization method. Instead of always using the full training configurations in TAL learning, we propose to reduce the mini-batch composition in terms of temporal, spatial, or spatio-temporal resolution so that jointly optimizing the video encoder and TAL head becomes operable under the same memory conditions of a mid-range hardware budget. Crucially, this enables the gradients to flow backwards through the video encoder conditioned on a TAL supervision loss, favourably solving the task discrepancy problem and providing more effective feature representations. Extensive experiments show that the proposed LoFi optimization approach can significantly enhance the performance of existing TAL methods. Encouragingly, even with a lightweight ResNet18 based video encoder in a single RGB stream, our method surpasses two-stream (RGB + optical-flow) ResNet50 based alternatives, often by a good margin.
Learning Gaussian Mixtures with Generalized Linear Models: Precise Asymptotics in High-dimensions
Authors: Bruno Loureiro, Gabriele Sicuro, Cedric Gerbelot, Alessandro Pacco, Florent Krzakala, Lenka Zdeborová
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Classification, Multi-class Classification

Generalised linear models for multi-class classification problems are one of the fundamental building blocks of modern machine learning tasks. In this manuscript, we characterise the learning of a mixture of $K$ Gaussians with generic means and covariances via empirical risk minimisation (ERM) with any convex loss and regularisation. In particular, we prove exact asymptotics characterising the ERM estimator in high-dimensions, extending several previous results about Gaussian mixture classification in the literature. We exemplify our result in two tasks of interest in statistical learning: a) classification for a mixture with sparse means, where we study the efficiency of $\ell_1$ penalty with respect to $\ell_2$; b) max-margin multi-class classification, where we characterise the phase transition on the existence of the multi-class logistic maximum likelihood estimator for $K>2$. Finally, we discuss how our theory can be applied beyond the scope of synthetic data, showing that in different cases Gaussian mixtures capture closely the learning curve of classification tasks in real data sets.
Towards understanding retrosynthesis by energy-based models
Authors: Ruoxi Sun, Hanjun Dai, Li Li, Steven Kearnes, Bo Dai
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Drug Discovery, Retrosynthesis

Retrosynthesis is the process of identifying a set of reactants to synthesize a target molecule. It is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural networks have achieved encouraging results. However, the inner connections of these models are rarely discussed, and rigorous evaluations of these models are largely in need. In this paper, we propose a framework that unifies sequence- and graph-based methods as energy-based models (EBMs) with different energy functions. This unified view establishes connections and reveals the differences between models, thereby enhancing our understanding of model design. We also provide a comprehensive assessment of performance to the community. Moreover, we present a novel dual variant within the framework that performs consistent training to induce the agreement between forward- and backward-prediction. This model improves the state-of-the-art of template-free methods with or without reaction types.
Latent Matters: Learning Deep State-Space Models
Authors: Alexej Klushyn, Richard Kurle, Maximilian Soelch, Botond Cseke, Patrick van der Smagt
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: State Space Models, Variational Inference

Deep state-space models (DSSMs) enable temporal predictions by learning the underlying dynamics of observed sequence data. They are often trained by maximising the evidence lower bound. However, as we show, this does not ensure the model actually learns the underlying dynamics. We therefore propose a constrained optimisation framework as a general approach for training DSSMs. Building upon this, we introduce the extended Kalman VAE (EKVAE), which combines amortised variational inference with classic Bayesian filtering/smoothing to model dynamics more accurately than RNN-based DSSMs. Our results show that the constrained optimisation framework significantly improves system identification and prediction accuracy on the example of established state-of-the-art DSSMs. The EKVAE outperforms previous models w.r.t. prediction accuracy, achieves remarkable results in identifying dynamical systems, and can furthermore successfully learn state-space representations where static and dynamic features are disentangled.
Mitigating Forgetting in Online Continual Learning with Neuron Calibration
Authors: Haiyan Yin, Peng Yang, Ping Li
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Continual Learning

Inspired by human intelligence, the research on online continual learning aims to push the limits of the machine learning models to constantly learn from sequentially encountered tasks, with the data from each task being observed in an online fashion. Though recent studies have achieved remarkable progress in improving the online continual learning performance empowered by the deep neural networks-based models, many of today's approaches still suffer a lot from catastrophic forgetting, a persistent challenge for continual learning. In this paper, we present a novel method which attempts to mitigate catastrophic forgetting in online continual learning from a new perspective, i.e., neuron calibration. In particular, we model the neurons in the deep neural networks-based models as calibrated units under a general formulation. Then we formalize a learning framework to effectively train the calibrated model, where neuron calibration could give ubiquitous benefit to balance the stability and plasticity of online continual learning algorithms through influencing both their forward inference path and backward optimization path.  Our proposed formulation for neuron calibration is lightweight and applicable to general feed-forward neural networks-based models. We perform extensive experiments to evaluate our method on four benchmark continual learning datasets. The results show that neuron calibration plays a vital role in improving online continual learning performance and our method could substantially improve the state-of-the-art performance on all~the~evaluated~datasets.
Generalization Bounds for (Wasserstein) Robust Optimization
Authors: Yang An, Rui Gao
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Generalization Bounds

(Distributionally) robust optimization has gained momentum in machine learning community recently, due to its promising applications in developing generalizable learning paradigms. In this paper, we derive generalization bounds for robust optimization and Wasserstein robust optimization for Lipschitz and piecewise Hölder smooth loss functions under both stochastic and adversarial setting, assuming that the underlying data distribution satisfies transportation-information inequalities. The proofs are built on new generalization bounds for variation regularization (such as Lipschitz or gradient regularization) and its connection with robustness.
Efficient Mirror Descent Ascent Methods for Nonsmooth Minimax Problems
Authors: Feihu Huang, Xidong Wu, Heng Huang
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12

In the paper, we propose a class of  efficient mirror descent ascent methods to solve the nonsmooth nonconvex-strongly-concave minimax problems by using dynamic mirror functions, and introduce a convergence analysis framework to conduct rigorous theoretical analysis for our mirror descent ascent methods. For our stochastic algorithms, we first prove that the mini-batch stochastic mirror descent ascent (SMDA) method obtains  a sample complexity of $O(\kappa^3\epsilon^{-4})$ for finding an $\epsilon$-stationary point, where $\kappa$ denotes the condition number. Further, we propose an accelerated stochastic mirror descent ascent (VR-SMDA) method based on  the variance reduced technique. We prove that our VR-SMDA method achieves a lower sample complexity G $O(\kappa^3\epsilon^{-3})$. For our deterministic algorithm, we prove that our deterministic mirror descent ascent (MDA) achieves a lower sample complexity of $O(\kappa\epsilon^{-2})$ under mild conditions, which improves the best known complexity by a factor of $O(\sqrt{\kappa})$. We conduct the experiments on fair classifier and robust neural network training tasks to demonstrate the efficiency of our new algorithms.
CO-PILOT: COllaborative Planning and reInforcement Learning On sub-Task curriculum
Authors: Shuang Ao, Tianyi Zhou, Guodong Long, Qinghua Lu, Liming Zhu, Jing Jiang
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: continuous-control, Continuous Control, reinforcement-learning, Reinforcement Learning (RL)

Goal-conditioned reinforcement learning (RL) usually suffers from sparse reward and inefficient exploration in long-horizon tasks. Planning can find the shortest path to a distant goal that provides dense reward/guidance but is inaccurate without a precise environment model. We show that RL and planning can collaboratively learn from each other to overcome their own drawbacks. In ''CO-PILOT'', a learnable path-planner and an RL agent produce dense feedback to train each other on a curriculum of tree-structured sub-tasks. Firstly, the planner recursively decomposes a long-horizon task to a tree of sub-tasks in a top-down manner, whose layers construct coarse-to-fine sub-task sequences as plans to complete the original task. The planning policy is trained to minimize the RL agent's cost of completing the sequence in each layer from top to bottom layers, which gradually increases the sub-tasks and thus forms an easy-to-hard curriculum for the planner.  Next, a bottom-up traversal of the tree trains the RL agent from easier sub-tasks with denser rewards on bottom layers to harder ones on top layers and collects its cost on each sub-task train the planner in the next episode. CO-PILOT repeats this mutual training for multiple episodes before switching to a new task, so the RL agent and planner are fully optimized to facilitate each other's training. We compare CO-PILOT with RL (SAC, HER, PPO), planning (RRT*, NEXT, SGT), and their combination (SoRB) on navigation and continuous control tasks. CO-PILOT significantly improves the success rate and sample efficiency.
Modality-Agnostic Topology Aware Localization
Authors: Farhad Ghazvinian Zanjani, Ilia Karmanov, Hanno Ackermann, Daniel Dijkman, Simone Merlin, Max Welling, Fatih Porikli
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Indoor Localization

This work presents a data-driven approach for the indoor localization of an observer on a 2D topological map of the environment. State-of-the-art techniques may yield accurate estimates only when they are tailor-made for a specific data modality like camera-based system that prevents their applicability to broader domains. Here, we establish a modality-agnostic framework (called OT-Isomap) and formulate the localization problem in the context of parametric manifold learning while leveraging optimal transportation. This framework allows jointly learning a low-dimensional embedding as well as correspondences with a topological map. We examine the generalizability of the proposed algorithm by applying it to data from diverse modalities such as image sequences and radio frequency signals. The experimental results demonstrate decimeter-level accuracy for localization using different sensory inputs.
Revenue maximization via machine learning with noisy data
Authors: Ellen Vitercik, Tom Yan
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: BIG-bench Machine Learning

Increasingly, copious amounts of consumer data are used to learn high-revenue mechanisms via machine learning. Existing research on mechanism design via machine learning assumes that there is a distribution over the buyers' values for the items for sale and that the learning algorithm's input is a training set sampled from this distribution. This setup makes the strong assumption that no noise is introduced during data collection. In order to help place mechanism design via machine learning on firm foundations, we investigate the extent to which this learning process is robust to noise. Optimizing revenue using noisy data is challenging because revenue functions are extremely volatile: an infinitesimal change in the buyers' values can cause a steep drop in revenue. Nonetheless, we provide guarantees when arbitrarily correlated noise is added to the training set; we only require that the noise has bounded magnitude or is sub-Gaussian. We conclude with an application of our guarantees to multi-task mechanism design, where there are multiple distributions over buyers' values and the goal is to learn a high-revenue mechanism per distribution. To our knowledge, we are the first to study mechanism design via machine learning with noisy data as well as multi-task mechanism design.
Scalable Bayesian GPFA with automatic relevance determination and discrete noise models
Authors: Kristopher Jensen, Ta-Chu Kao, Jasmine Stone, Guillaume Hennequin
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Variational Inference

Latent variable models are ubiquitous in the exploratory analysis of neural population recordings, where they allow researchers to summarize the activity of large populations of neurons in lower dimensional ‘latent’ spaces. Existing methods can generally be categorized into (i) Bayesian methods that facilitate flexible incorporation of prior knowledge and uncertainty estimation, but which typically do not scale to large datasets; and (ii) highly parameterized methods without explicit priors that scale better but often struggle in the low-data regime. Here, we bridge this gap by developing a fully Bayesian yet scalable version of Gaussian process factor analysis (bGPFA), which models neural data as arising from a set of inferred latent processes with a prior that encourages smoothness over time. Additionally, bGPFA uses automatic relevance determination to infer the dimensionality of neural activity directly from the training data during optimization. To enable the analysis of continuous recordings without trial structure, we introduce a novel variational inference strategy that scales near-linearly in time and also allows for non-Gaussian noise models appropriate for electrophysiological recordings. We apply bGPFA to continuous recordings spanning 30 minutes with over 14 million data points from primate motor and somatosensory cortices during a self-paced reaching task. We show that neural activity progresses from an initial state at target onset to a reach- specific preparatory state well before movement onset. The distance between these initial and preparatory latent states is predictive of reaction times across reaches, suggesting that such preparatory dynamics have behavioral relevance despite the lack of externally imposed delay periods. Additionally, bGPFA discovers latent processes that evolve over slow timescales on the order of several seconds and contain complementary information about reaction time. These timescales are longer than those revealed by methods which focus on individual movement epochs and may reflect fluctuations in e.g. task engagement.
Universal Graph Convolutional Networks
Authors: Di Jin, Zhizhi Yu, Cuiying Huo, Rui Wang, Xiao Wang, Dongxiao He, Jiawei Han
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12

Graph Convolutional Networks (GCNs), aiming to obtain the representation of a node by aggregating its neighbors, have demonstrated great power in tackling various analytics tasks on graph (network) data. The remarkable performance of GCNs typically relies on the homophily assumption of networks, while such assumption cannot always be satisfied, since the heterophily or randomness are also widespread in real-world. This gives rise to one fundamental question: whether networks with different structural properties should adopt different propagation mechanisms? In this paper, we first conduct an experimental investigation. Surprisingly, we discover that there are actually segmentation rules for the propagation mechanism, i.e., 1-hop, 2-hop and $k$-nearest neighbor ($k$NN) neighbors are more suitable as neighborhoods of network with complete homophily, complete heterophily and randomness, respectively. However, the real-world networks are complex, and may present diverse structural properties, e.g., the network dominated by homophily may contain a small amount of randomness. So can we reasonably utilize these segmentation rules to design a universal propagation mechanism independent of the network structural assumption? To tackle this challenge, we develop a new universal GCN framework, namely U-GCN. It first introduces a multi-type convolution to extract information from 1-hop, 2-hop and $k$NN networks simultaneously, and then designs a discriminative aggregation to sufficiently fuse them aiming to given learning objectives. Extensive experiments demonstrate the superiority of U-GCN over state-of-the-arts. The code and data are available at https://github.com/jindi-tju.
Few-Shot Data-Driven Algorithms for Low Rank Approximation
Authors: Piotr Indyk, Tal Wagner, David Woodruff
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Computational Efficiency

Recently, data-driven and learning-based algorithms for low rank matrix approximation were shown to outperform classical data-oblivious algorithms by wide margins in terms of accuracy.  Those algorithms are based on the optimization of sparse sketching matrices, which lead to large savings in time and memory during testing. However, they require long training times on a large amount of existing data, and rely on access to specialized hardware and software. In this work, we develop new data-driven low rank approximation algorithms with better computational efficiency in the training phase, alleviating these drawbacks. Furthermore, our methods are interpretable: while previous algorithms choose the sketching matrix either at random or by black-box learning, we show that it can be set (or initialized) to clearly interpretable values extracted from the dataset. Our experiments show that our algorithms, either by themselves or in combination with previous methods, achieve significant empirical advantage over previous work, improving training times by up to an order of magnitude toward achieving the same target accuracy.
Asymptotics of the Bootstrap via Stability with Applications to Inference with Model Selection
Authors: Morgane Austern, Vasilis Syrgkanis
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: BIG-bench Machine Learning, Model Selection

One of the most commonly used methods for forming confidence intervals is the empirical bootstrap, which is especially expedient when the limiting distribution of the estimator is unknown. However, despite its ubiquitous role in machine learning, its theoretical properties are still not well understood. Recent developments in probability have provided new tools to study the bootstrap method. However, they have been applied only to specific applications and contexts, and it is unclear whether these techniques are applicable to the understanding of the consistency of the bootstrap in machine learning pipelines. In this paper, we derive general stability conditions under which the empirical bootstrap estimator is consistent and quantify the speed of convergence. Moreover, we propose alternative ways to use the bootstrap method to build confidence intervals with coverage guarantees. Finally, we illustrate the generality and tightness of our results by examples of interest for machine learning including for two-sample kernel tests after kernel selection and the empirical risk of stacked estimators.
Risk Monotonicity in Statistical Learning
Authors: Zakaria Mhammedi
Date: 2021-12-01 00:00:00
Proceeding: NeurIPS 2021 12

Acquisition of data is a difficult task in many applications of machine learning, and it is only natural that one hopes and expects the population risk to decrease (better performance) monotonically with increasing data points. It turns out, somewhat surprisingly, that this is not the case even for the most standard algorithms that minimize the empirical risk. Non-monotonic behavior of the risk and instability in training have manifested and appeared in the popular deep learning paradigm under the description of double descent. These problems highlight the current lack of understanding of learning algorithms and generalization. It is, therefore, crucial to pursue this concern and provide a characterization of such behavior. In this paper, we derive the first consistent and risk-monotonic algorithms for a general statistical learning setting under weak assumptions, consequently resolving an open problem Viering et al. (2019) on how to avoid non-monotonic behavior of risk curves. We further show that risk monotonicity need not necessarily come at the price of worse excess risk rates. To achieve this, we derive new empirical Bernstein-like concentration inequalities of independent interest that hold for certain non-i.i.d. processes such as Martingale Difference Sequences.