nils-herrmann/clean_scirepeval huggingface dataset:
Explicit loss asymptotics in the gradient descent training of neural networks
Authors: Maksim Velikanov, Dmitry Yarotsky

Current theoretical results on optimization trajectories of neural networks trained by gradient descent typically have the form of rigorous but potentially loose bounds on the loss values. In the present work we take a different approach and show that the learning trajectory of a wide network in a lazy training regime can be characterized by an explicit asymptotic at large training times. Specifically, the leading term in the asymptotic expansion of the loss behaves as a power law $L(t) \sim C t^{-\xi}$ with exponent $\xi$ expressed only through the data dimension, the smoothness of the activation function, and the class of function being approximated. Our results are based on spectral analysis of the integral operator representing the linearized evolution of a large network trained on the expected loss. Importantly, the techniques we employ do not require a specific form of the data distribution, for example Gaussian, thus making our findings sufficiently universal.
Beyond BatchNorm: Towards a Unified Understanding of Normalization in Deep Learning
Authors: Ekdeep Singh Lubana, Robert Dick, Hidenori Tanaka

Inspired by BatchNorm, there has been an explosion of normalization layers in deep learning. Recent works have identified a multitude of beneficial properties in BatchNorm to explain its success. However, given the pursuit of alternative normalization layers, these properties need to be generalized so that any given layer's success/failure can be accurately predicted. In this work, we take a first step towards this goal by extending known properties of BatchNorm in randomly initialized deep neural networks (DNNs) to several recently proposed normalization layers. Our primary findings follow: (i) similar to BatchNorm, activations-based normalization layers can prevent exponential growth of activations in ResNets, but parametric techniques require explicit remedies; (ii) use of GroupNorm can ensure an informative forward propagation, with different samples being assigned dissimilar activations, but increasing group size results in increasingly indistinguishable activations for different samples, explaining slow convergence speed in models with LayerNorm; and (iii) small group sizes result in large gradient norm in earlier layers, hence explaining training instability issues in Instance Normalization and illustrating a speed-stability tradeoff in GroupNorm. Overall, our analysis reveals a unified set of mechanisms that underpin the success of normalization methods in deep learning, providing us with a compass to systematically explore the vast design space of DNN normalization layers.
Counterexample Guided RL Policy Refinement Using Bayesian Optimization
Authors: Briti Gangopadhyay, Pallab Dasgupta

Constructing Reinforcement Learning (RL) policies that adhere to safety requirements is an emerging field of study. RL agents learn via trial and error with an objective to optimize a reward signal. Often policies that are designed to accumulate rewards do not satisfy safety specifications. We present a methodology for counterexample guided refinement of a trained RL policy against a given safety specification. Our approach has two main components. The first component is an approach to discover failure trajectories using Bayesian optimization over multiple parameters of uncertainty from a policy learnt in a model-free setting. The second component selectively modifies the failure points of the policy using gradient-based updates. The approach has been tested on several RL environments, and we demonstrate that the policy can be made to respect the safety specifications through such targeted changes.
Mini-Batch Consistent Slot Set Encoder for Scalable Set Encoding
Authors: Andreis Bruno, Jeffrey Ryan Willette, Juho Lee, Sung Ju Hwang

Most existing set encoding algorithms operate under the implicit assumption that all the set elements are accessible, and that there are ample computational and memory resources to load the set into memory during training and inference.  However, both assumptions fail when the set is excessively large such that it is impossible to load all set elements into memory, or when data arrives in a stream. To tackle such practical challenges in large-scale set encoding, the general set-function constraints of permutation invariance and equivariance are not sufficient. We introduce a new property termed Mini-Batch Consistency (MBC) that is required for large scale mini-batch set encoding. Additionally, we present a scalable and efficient attention-based set encoding mechanism that is amenable to mini-batch processing of sets, and capable of updating set representations as data arrives. The proposed method adheres to the required symmetries of invariance and equivariance as well as maintaining MBC for any partition of the input set. We perform extensive experiments and show that our method is computationally efficient and results in rich set encoding representations for set-structured data.
Hierarchical Clustering: $O(1)$-Approximation for Well-Clustered Graphs
Authors: Bogdan Adrian Manghiuc, He Sun

Hierarchical clustering  studies a recursive partition of a data set into clusters of successively smaller size, and is a fundamental problem in data analysis. In this work we study the cost function for hierarchical clustering introduced by Dasgupta, and present two polynomial-time approximation algorithms: Our first result is an $O(1)$-approximation algorithm for graphs of high conductance. Our simple construction bypasses complicated recursive routines of finding sparse cuts known in the literature. Our second and main result is an $O(1)$-approximation algorithm for a wide family of graphs that exhibit a well-defined structure of clusters. This result generalises the previous state-of-the-art, which holds only for graphs generated from stochastic models. The significance of our work is demonstrated by the empirical analysis on both synthetic and real-world data sets, on which our presented algorithm outperforms  the previously proposed algorithm for graphs with a well-defined cluster structure.
Linear-Time Probabilistic Solution of Boundary Value Problems
Authors: Nicholas Krämer, Philipp Hennig

We propose a fast algorithm for the probabilistic solution of boundary value problems (BVPs), which are ordinary differential equations subject to boundary conditions.  In contrast to previous work, we introduce a Gauss-Markov prior and tailor it specifically to BVPs, which allows computing a posterior distribution over the solution in linear time, at a quality and cost comparable to that of well-established, non-probabilistic methods.  Our model further delivers uncertainty quantification, mesh refinement, and hyperparameter adaptation. We demonstrate how these practical considerations positively impact the efficiency of the scheme. Altogether, this results in a practically usable probabilistic BVP solver that is (in contrast to non-probabilistic algorithms) natively compatible with other parts of the statistical modelling tool-chain.
TriBERT: Human-centric Audio-visual Representation Learning
Authors: Tanzila Rahman, Mengyu Yang, Leonid Sigal

The recent success of transformer models in language, such as BERT, has motivated the use of such architectures for multi-modal feature learning and tasks. However, most multi-modal variants (e.g., ViLBERT) have limited themselves to visual-linguistic data. Relatively few have explored its use in audio-visual modalities, and none, to our knowledge, illustrate them in the context of granular audio-visual detection or segmentation tasks such as sound source separation and localization. In this work, we introduce TriBERT -- a transformer-based architecture, inspired by ViLBERT, which enables contextual feature learning across three modalities: vision, pose, and audio, with the use of flexible co-attention. The use of pose keypoints is inspired by recent works that illustrate that such representations can significantly boost performance in many audio-visual scenarios where often one or more persons are responsible for the sound explicitly (e.g., talking) or implicitly (e.g., sound produced as a function of human manipulating an object). From a technical perspective, as part of the TriBERT architecture, we introduce a learned visual tokenization scheme based on spatial attention and leverage weak-supervision to allow granular cross-modal interactions for visual and pose modalities. Further, we supplement learning with sound-source separation loss formulated across all three streams. We pre-train our model on the large MUSIC21 dataset and demonstrate improved performance in audio-visual sound source separation on that dataset as well as other datasets through fine-tuning. In addition, we show that the learned TriBERT representations are generic and significantly improve performance on other audio-visual tasks such as cross-modal audio-visual-pose retrieval by as much as 66.7% in top-1 accuracy.
Improving Computational Efficiency in Visual Reinforcement Learning via Stored Embeddings
Authors: Lili Chen, Kimin Lee, Aravind Srinivas, Pieter Abbeel

Recent advances in off-policy deep reinforcement learning (RL) have led to impressive success in complex tasks from visual observations. Experience replay improves sample-efficiency by reusing experiences from the past, and convolutional neural networks (CNNs) process high-dimensional inputs effectively. However, such techniques demand high memory and computational bandwidth. In this paper, we present Stored Embeddings for Efficient Reinforcement Learning (SEER), a simple modification of existing off-policy RL methods, to address these computational and memory requirements. To reduce the computational overhead of gradient updates in CNNs, we freeze the lower layers of CNN encoders early in training due to early convergence of their parameters. Additionally, we reduce memory requirements by storing the low-dimensional latent vectors for experience replay instead of high-dimensional images, enabling an adaptive increase in the replay buffer capacity, a useful technique in constrained-memory settings. In our experiments, we show that SEER does not degrade the performance of RL agents while significantly saving computation and memory across a diverse set of DeepMind Control environments and Atari games.
Accurate Point Cloud Registration with Robust Optimal Transport
Authors: Zhengyang Shen, Jean Feydy, PEIRONG LIU, Ariel Hernán Curiale, Ruben San Jose Estepar, Raul San Jose Estepar, Marc Niethammer

This work investigates the use of robust optimal transport (OT) for shape matching. Specifically, we show that recent OT solvers improve both optimization-based and deep learning methods for point cloud registration, boosting accuracy at an affordable computational cost. This manuscript starts with a practical overview of modern OT theory. We then provide solutions to the main difficulties in using this framework for shape matching. Finally, we showcase the performance of transport-enhanced registration models on a wide range of challenging tasks: rigid registration for partial shapes; scene flow estimation on the Kitti dataset; and nonparametric registration of lung vascular trees between inspiration and expiration. Our OT-based methods achieve state-of-the-art results on Kitti and for the challenging lung registration task, both in terms of accuracy and scalability. We also release PVT1010, a new public dataset of 1,010 pairs of lung vascular trees with densely sampled points. This dataset provides a challenging use case for point cloud registration algorithms with highly complex shapes and deformations. Our work demonstrates that robust OT enables fast pre-alignment and fine-tuning for a wide range of registration models, thereby providing a new key method for the computer vision toolbox. Our code and dataset are available online at: https://github.com/uncbiag/robot.
Constrained Two-step Look-Ahead Bayesian Optimization
Authors: Duke Zhang, Xiangyu Zhang, Peter I. Frazier

Recent advances in computationally efficient non-myopic Bayesian optimization offer improved query efficiency over traditional myopic methods like expected improvement, with only a modest increase in computational cost. These advances have been largely limited to unconstrained BO methods with only a few exceptions which require heavy computation. For instance, one existing multi-step lookahead constrained BO method (Lam & Willcox, 2017) relies on computationally expensive unreliable brute force derivative-free optimization of a Monte Carlo rollout acquisition function. Methods that use the reparameterization trick for more efficient derivative-based optimization of non-myopic acquisition functions in the unconstrained setting, like sample average approximation and infinitesimal perturbation analysis, do not extend: constraints introduce discontinuities in the sampled acquisition function surface. Moreover, we argue here that being non-myopic is even more important in constrained problems because fear of violating constraints pushes myopic methods away from sampling the boundary between feasible and infeasible regions, slowing the discovery of optimal solutions with tight constraints. In this paper, we propose a computationally efficient two-step lookahead constrained Bayesian optimization acquisition function (2-OPT-C) supporting both sequential and batch settings. To enable fast acquisition function optimization, we develop a novel likelihood ratio-based unbiased estimator of the gradient of the two-step optimal acquisition function that does not use the reparameterization trick. In numerical experiments, 2-OPT-C typically improves query efficiency by 2x or more over previous methods, and in some cases by 10x or more.
Evolution Gym: A Large-Scale Benchmark for Evolving Soft Robots
Authors: Jagdeep Singh Bhatia, Holly Jackson, Yunsheng Tian, Jie Xu, Wojciech Matusik

Both the design and control of a robot play equally important roles in its task performance. However, while optimal control is well studied in the machine learning and robotics community, less attention is placed on finding the optimal robot design. This is mainly because co-optimizing design and control in robotics is characterized as a challenging problem, and more importantly, a comprehensive evaluation benchmark for co-optimization does not exist. In this paper, we propose Evolution Gym, the first large-scale benchmark for co-optimizing the design and control of soft robots. In our benchmark, each robot is composed of different types of voxels (e.g., soft, rigid, actuators), resulting in a modular and expressive robot design space. Our benchmark environments span a wide range of tasks, including locomotion on various types of terrains and manipulation. Furthermore, we develop several robot co-evolution algorithms by combining state-of-the-art design optimization methods and deep reinforcement learning techniques. Evaluating the algorithms on our benchmark platform, we observe robots exhibiting increasingly complex behaviors as evolution progresses, with the best evolved designs solving many of our proposed tasks. Additionally, even though robot designs are evolved autonomously from scratch without prior knowledge, they often grow to resemble existing natural creatures while outperforming hand-designed robots. Nevertheless, all tested algorithms fail to find robots that succeed in our hardest environments. This suggests that more advanced algorithms are required to explore the high-dimensional design space and evolve increasingly intelligent robots -- an area of research in which we hope Evolution Gym will accelerate progress. Our website with code, environments, documentation, and tutorials is available at http://evogym.csail.mit.edu/.
Revisiting Hilbert-Schmidt Information Bottleneck for Adversarial Robustness
Authors: Zifeng Wang, Tong Jian, Aria Masoomi, Stratis Ioannidis, Jennifer Dy

We investigate the HSIC (Hilbert-Schmidt independence criterion) bottleneck as a regularizer for learning an adversarially robust deep neural network classifier. In addition to the usual cross-entropy loss, we add regularization terms for every intermediate layer to ensure that the latent representations retain useful information for output prediction while reducing redundant information. We show that the HSIC bottleneck enhances robustness to adversarial attacks both theoretically and experimentally. In particular, we prove that the HSIC bottleneck regularizer reduces the sensitivity of the classifier to adversarial examples. Our experiments on multiple benchmark datasets and architectures demonstrate that incorporating an HSIC bottleneck regularizer attains competitive natural accuracy and improves adversarial robustness, both with and without adversarial examples during training. Our code and adversarially robust models are publicly available.
Perturbation Theory for the Information Bottleneck
Authors: Vudtiwat Ngampruetikorn, David J. Schwab

Extracting relevant information from data is crucial for all forms of learning. The information bottleneck (IB) method formalizes this, offering a mathematically precise and conceptually appealing framework for understanding learning phenomena. However the nonlinearity of the IB problem makes it computationally expensive and analytically intractable in general. Here we derive a perturbation theory for the IB method and report the first complete characterization of the learning onset, the limit of maximum relevant information per bit extracted from data. We test our results on synthetic probability distributions, finding good agreement with the exact numerical solution near the onset of learning. We explore the difference and subtleties in our derivation and previous attempts at deriving a perturbation theory for the learning onset and attribute the discrepancy to a flawed assumption. Our work also provides a fresh perspective on the intimate relationship between the IB method and the strong data processing inequality.
Uniform-PAC Bounds for Reinforcement Learning with Linear Function Approximation
Authors: Jiafan He, Dongruo Zhou, Quanquan Gu

We study reinforcement learning (RL) with linear function approximation. Existing algorithms for this problem only have high-probability regret and/or Probably Approximately Correct (PAC) sample complexity guarantees, which cannot guarantee the convergence to the optimal policy. In this paper, in order to overcome the limitation of existing algorithms, we propose a new algorithm called FLUTE, which enjoys uniform-PAC convergence to the optimal policy with high probability. The uniform-PAC guarantee is the strongest possible guarantee for reinforcement learning in the literature, which can directly imply both PAC and high probability regret bounds, making our algorithm superior to all existing algorithms with linear function approximation. At the core of our algorithm is a novel minimax value function estimator and a multi-level partition scheme to select the training samples from historical observations. Both of these techniques are new and of independent interest.
Explanation-based Data Augmentation for Image Classification
Authors: Sandareka Wickramanayake, Wynne Hsu, Mong-Li Lee

Existing works have generated explanations for deep neural network decisions to provide insights into model behavior. We observe that these explanations can also be used to identify concepts that caused misclassifications. This allows us to understand the possible limitations of the dataset used to train the model, particularly the under-represented regions in the dataset. This work proposes a framework that utilizes concept-based explanations to automatically augment the dataset with new images that can cover these under-represented regions to improve the model performance. The framework is able to use the explanations generated by both interpretable classifiers and post-hoc explanations from black-box classifiers. Experiment results demonstrate that the proposed approach improves the accuracy of classifiers compared to state-of-the-art augmentation strategies.
Implicit Deep Adaptive Design: Policy-Based Experimental Design without Likelihoods
Authors: Desi R. Ivanova, Adam Foster, Steven Kleinegesse, Michael U. Gutmann, Tom Rainforth

We introduce implicit Deep Adaptive Design (iDAD), a new method for performing adaptive experiments in real-time with implicit models. iDAD amortizes the cost of Bayesian optimal experimental design (BOED) by learning a design policy network upfront, which can then be deployed quickly at the time of the experiment. The iDAD network can be trained on any model which simulates differentiable samples, unlike previous design policy work that requires a closed form likelihood and conditionally independent experiments. At deployment, iDAD allows design decisions to be made in milliseconds, in contrast to traditional BOED approaches that require heavy computation during the experiment itself. We illustrate the applicability of iDAD on a number of experiments, and show that it provides a fast and effective mechanism for performing adaptive design with implicit models.
ToAlign: Task-Oriented Alignment for Unsupervised Domain Adaptation
Authors: Guoqiang Wei, Cuiling Lan, Wenjun Zeng, Zhizheng Zhang, Zhibo Chen

Unsupervised domain adaptive classifcation intends to improve the classifcation performance on unlabeled target domain. To alleviate the adverse effect of domain shift, many approaches align the source and target domains in the feature space. However, a feature is usually taken as a whole for alignment without explicitly making domain alignment proactively serve the classifcation task, leading to sub-optimal solution. In this paper, we propose an effective Task-oriented Alignment (ToAlign) for unsupervised domain adaptation (UDA). We study what features should be aligned across domains and propose to make the domain alignment proactively serve classifcation by performing feature decomposition and alignment under the guidance of the prior knowledge induced from the classifcation task itself. Particularly, we explicitly decompose a feature in the source domain into a task-related/discriminative feature that should be aligned, and a task-irrelevant feature that should be avoided/ignored, based on the classifcation meta-knowledge. Extensive experimental results on various benchmarks (e.g., Offce-Home, Visda-2017, and DomainNet) under different domain adaptation settings demonstrate the effectiveness of ToAlign which helps achieve the state-of-the-art performance. The code is publicly available at https://github.com/microsoft/UDA.
Are My Deep Learning Systems Fair? An Empirical Study of Fixed-Seed Training
Authors: Shangshu Qian, Hung Viet Pham, Thibaud Lutellier, Zeou Hu, Jungwon Kim, Lin Tan, Yaoliang Yu, Jiahao Chen, Sameena Shah

Deep learning (DL) systems have been gaining popularity in critical tasks such as credit evaluation and crime prediction. Such systems demand fairness. Recent work shows that DL software implementations introduce variance: identical DL training runs (i.e., identical network, data, configuration, software, and hardware) with a fixed seed produce different models. Such variance could make DL models and networks violate fairness compliance laws, resulting in negative social impact. In this paper, we conduct the first empirical study to quantify the impact of software implementation on the fairness and its variance of DL systems. Our study of 22 mitigation techniques and five baselines reveals up to 12.6% fairness variance across identical training runs with identical seeds. In addition, most debiasing algorithms have a negative impact on the model such as reducing model accuracy, increasing fairness variance, or increasing accuracy variance. Our literature survey shows that while fairness is gaining popularity in artificial intelligence (AI) related conferences, only 34.4% of the papers use multiple identical training runs to evaluate their approach, raising concerns about their results’ validity. We call for better fairness evaluation and testing protocols to improve fairness and fairness variance of DL systems as well as DL research validity and reproducibility at large.