nils-herrmann/clean_scirepeval huggingface dataset:
A Gradient Method for Multilevel Optimization
Authors: Ryo Sato, Mirai Tanaka, Akiko Takeda

Although application examples of multilevel optimization have already been discussed since the 1990s, the development of solution methods was almost limited to bilevel cases due to the difficulty of the problem. In recent years, in machine learning, Franceschi et al. have proposed a method for solving bilevel optimization problems by replacing their lower-level problems with the $T$ steepest descent update equations with some prechosen iteration number $T$. In this paper, we have developed a gradient-based algorithm for multilevel optimization with $n$ levels based on their idea and proved that our reformulation asymptotically converges to the original multilevel problem. As far as we know, this is one of the first algorithms with some theoretical guarantee for multilevel optimization. Numerical experiments show that a trilevel hyperparameter learning model considering data poisoning produces more stable prediction results than an existing bilevel hyperparameter learning model in noisy data settings.
Causal Identification with Matrix Equations
Authors: Sanghack Lee, Elias Bareinboim

Causal effect identification is concerned with determining whether a causal effect is computable from a combination of qualitative assumptions about the underlying system (e.g., a causal graph) and distributions collected from this system. Many identification algorithms exclusively rely on graphical criteria made of a non-trivial combination of probability axioms, do-calculus, and refined c-factorization (e.g., Lee & Bareinboim, 2020). In a sequence of increasingly sophisticated results, it has been shown how proxy variables can be used to identify certain effects that would not be otherwise recoverable in challenging scenarios through solving matrix equations (e.g., Kuroki & Pearl, 2014; Miao et al., 2018). In this paper, we develop a new causal identification algorithm which utilizes both graphical criteria and matrix equations. Specifically, we first characterize the relationships between certain graphically-driven formulae and matrix multiplications. With such characterizations, we broaden the spectrum of proxy variable based identification conditions and further propose novel intermediary criteria based on the pseudoinverse of a matrix. Finally, we devise a causal effect identification algorithm, which accepts as input a collection of marginal, conditional, and interventional distributions, integrating enriched matrix-based criteria into a graphical identification approach.
Dangers of Bayesian Model Averaging under Covariate Shift
Authors: Pavel Izmailov, Patrick Nicholson, Sanae Lotfi, Andrew Gordon Wilson

Approximate Bayesian inference for neural networks is considered a robust alternative to standard training, often providing good performance on out-of-distribution data. However, Bayesian neural networks (BNNs) with high-fidelity approximate inference via full-batch Hamiltonian Monte Carlo achieve poor generalization under covariate shift, even underperforming classical estimation. We explain this surprising result, showing how a Bayesian model average can in fact be problematic under covariate shift, particularly in cases where linear dependencies in the input features cause a lack of posterior contraction. We additionally show why the same issue does not affect many approximate inference procedures, or classical maximum a-posteriori (MAP) training. Finally, we propose novel priors that improve the robustness of BNNs to many sources of covariate shift.
Risk-averse Heteroscedastic Bayesian Optimization
Authors: Anastasia Makarova, Ilnura Usmanova, Ilija Bogunovic, Andreas Krause

Many black-box optimization tasks arising in high-stakes applications require risk-averse decisions. The standard Bayesian optimization (BO) paradigm, however, optimizes the expected value only.  We generalize BO to trade mean and input-dependent variance of the objective, both of which we assume to be unknown a priori.  In particular, we propose a novel risk-averse heteroscedastic Bayesian optimization algorithm (RAHBO) that aims to identify a solution with high return and low noise variance, while learning the noise distribution on the fly.  To this end, we model both expectation and variance as (unknown) RKHS functions, and propose a novel risk-aware acquisition function.  We bound the regret for our approach and provide a robust rule to report the final decision point for applications where only a single solution must be identified. We demonstrate the effectiveness of RAHBO on synthetic benchmark functions and hyperparameter tuning tasks.
Landscape analysis of an improved power method for tensor decomposition
Authors: Joe Kileel, Timo Klock, João M. Pereira

In this work, we consider the optimization formulation for symmetric tensor decomposition recently introduced in the Subspace Power Method (SPM) of Kileel and Pereira.  Unlike popular alternative functionals for tensor decomposition, the SPM objective function has the desirable properties that its maximal value is known in advance, and its global optima are exactly the rank-1 components of the tensor when the input is sufficiently low-rank.  We analyze the non-convex optimization landscape associated with the SPM objective.  Our analysis accounts for working with noisy tensors.  We derive quantitative bounds such that any second-order critical point with SPM objective value exceeding the bound must equal a tensor component in the noiseless case, and must approximate a tensor component in the noisy case. For decomposing tensors of size $D^{\times m}$, we obtain a near-global guarantee up to rank $\widetilde{o}(D^{\lfloor m/2 \rfloor})$ under a random tensor model, and a global guarantee up to rank $\mathcal{O}(D)$ assuming deterministic frame conditions.  This implies that SPM with suitable initialization is a provable, efficient, robust algorithm for low-rank symmetric tensor decomposition.  We conclude with numerics that show a practical preferability for using the SPM functional over a more established counterpart.
Towards Understanding Cooperative Multi-Agent Q-Learning with Value Factorization
Authors: Jianhao Wang, Zhizhou Ren, Beining Han, Jianing Ye, Chongjie Zhang

Value factorization is a popular and promising approach to scaling up multi-agent reinforcement learning in cooperative settings, which balances the learning scalability and the representational capacity of value functions. However, the theoretical understanding of such methods is limited. In this paper, we formalize a multi-agent fitted Q-iteration framework for analyzing factorized multi-agent Q-learning. Based on this framework, we investigate linear value factorization and reveal that multi-agent Q-learning with this simple decomposition implicitly realizes a powerful counterfactual credit assignment, but may not converge in some settings. Through further analysis, we find that on-policy training or richer joint value function classes can improve its local or global convergence properties, respectively. Finally, to support our theoretical implications in practical realization, we conduct an empirical analysis of state-of-the-art deep multi-agent Q-learning algorithms on didactic examples and a broad set of StarCraft II unit micromanagement tasks.
Differentially Private Learning with Adaptive Clipping
Authors: Galen Andrew, Om Thakkar, Hugh Brendan McMahan, Swaroop Ramaswamy

Existing approaches for training neural networks with user-level differential privacy (e.g., DP Federated Averaging) in federated learning (FL) settings involve bounding the contribution of each user's model update by {\em clipping} it to some constant value. However there is no good {\em a priori} setting of the clipping norm across tasks and learning settings: the update norm distribution depends on the model architecture and loss, the amount of data on each device, the client learning rate, and possibly various other parameters. We propose a method wherein instead of a fixed clipping norm, one clips to a value at a specified quantile of the update norm distribution, where the value at the quantile is itself estimated online, with differential privacy. The method tracks the quantile closely, uses a negligible amount of privacy budget, is compatible with other federated learning technologies such as compression and secure aggregation, and has a straightforward joint DP analysis with DP-FedAvg. Experiments demonstrate that adaptive clipping to the median update norm works well across a range of federated learning tasks, eliminating the need to tune any clipping hyperparameter.
DNN-based Topology Optimisation:  Spatial Invariance and Neural Tangent Kernel
Authors: Benjamin Dupuis, Arthur Jacot

We study the Solid Isotropic Material Penalization (SIMP) method with a density field generated by a fully-connected neural network, taking the coordinates as inputs. In the large width limit, we show that the use of DNNs leads to a filtering effect similar to traditional filtering techniques for SIMP, with a filter described by the Neural Tangent Kernel (NTK). This filter is however not invariant under translation, leading to visual artifacts and non-optimal shapes. We propose two embeddings of the input coordinates, which lead  to (approximate) spatial invariance of the NTK and of the filter. We empirically confirm our theoretical observations and study how the filter size is affected by the architecture of the network. Our solution can easily be applied to any other coordinates-based generation method.
Robust and Decomposable Average Precision for Image Retrieval
Authors: Elias Ramzi, Nicolas THOME, Clément Rambour, Nicolas Audebert, Xavier Bitot

In image retrieval, standard evaluation metrics rely on score ranking, e.g. average precision (AP). In this paper, we introduce a method for robust and decomposable average precision (ROADMAP) addressing two major challenges for end-to-end training of deep neural networks with AP: non-differentiability and non-decomposability.
Firstly, we propose a new differentiable approximation of the rank function, which provides an upper bound of the AP loss and ensures robust training. Secondly, we design a simple yet effective loss function to reduce the decomposability gap between the AP in the whole training set and its averaged batch approximation, for which we provide theoretical guarantees.
Extensive experiments conducted on three image retrieval datasets show that ROADMAP outperforms several recent AP approximation methods and highlight the importance of our two contributions. Finally, using ROADMAP for training deep models yields very good performances, outperforming state-of-the-art results on the three datasets.
Code and instructions to reproduce our results will be made publicly available at https://github.com/elias-ramzi/ROADMAP.
TöRF: Time-of-Flight Radiance Fields for Dynamic Scene View Synthesis
Authors: Benjamin Attal, Eliot Laidlaw, Aaron Gokaslan, Changil Kim, Christian Richardt, James Tompkin, Matthew O'Toole

Neural networks can represent and accurately reconstruct radiance fields for static 3D scenes (e.g., NeRF). Several works extend these to dynamic scenes captured with monocular video, with promising performance. However, the monocular setting is known to be an under-constrained problem, and so methods rely on data-driven priors for reconstructing dynamic content. We replace these priors with measurements from a time-of-flight (ToF) camera, and introduce a neural representation based on an image formation model for continuous-wave ToF cameras. Instead of working with processed depth maps, we model the raw ToF sensor measurements to improve reconstruction quality and avoid issues with low reflectance regions, multi-path interference, and a sensor's limited unambiguous depth range. We show that this approach improves robustness of dynamic scene reconstruction to erroneous calibration and large motions, and discuss the benefits and limitations of integrating RGB+ToF sensors now available on modern smartphones.
Believe What You See: Implicit Constraint Approach for Offline Multi-Agent Reinforcement Learning
Authors: Yiqin Yang, Xiaoteng Ma, Chenghao Li, Zewu Zheng, Qiyuan Zhang, Gao Huang, Jun Yang, Qianchuan Zhao

Learning from datasets without interaction with environments (Offline Learning) is an essential step to apply Reinforcement Learning (RL) algorithms in real-world scenarios.	However, compared with the single-agent counterpart, offline multi-agent RL introduces more agents with the larger state and action space, which is more challenging but attracts little attention. We demonstrate current offline RL algorithms are ineffective in multi-agent systems due to the accumulated extrapolation error. In this paper, we propose a novel offline RL algorithm, named Implicit Constraint Q-learning (ICQ), which effectively alleviates the extrapolation error by only trusting the state-action pairs given in the dataset for value estimation.  Moreover, we extend ICQ to multi-agent tasks by decomposing the joint-policy under the implicit constraint.  Experimental results demonstrate that the extrapolation error is successfully controlled within a reasonable range and insensitive to the number of agents. We further show that ICQ achieves the state-of-the-art performance in the challenging multi-agent offline tasks (StarCraft II). Our code is public online at https://github.com/YiqinYang/ICQ.
An Analysis of Constant Step Size SGD in the Non-convex Regime: Asymptotic Normality and Bias
Authors: Lu Yu, Krishna Balasubramanian, Stanislav Volgushev, Murat A Erdogdu

Structured non-convex learning problems, for which critical points have favorable statistical properties, arise frequently in statistical machine learning. Algorithmic convergence and statistical estimation rates are well-understood for such problems. However, quantifying the uncertainty associated with the underlying training algorithm is not well-studied in the non-convex setting. In order to address this shortcoming, in this work, we establish an asymptotic normality result for the constant step size stochastic gradient descent (SGD)  algorithm---a widely used algorithm in practice. Specifically, based on the relationship between SGD and Markov Chains  [DDB19], we show that the average of SGD iterates is asymptotically normally distributed around the expected value of their unique invariant distribution, as long as the non-convex and non-smooth objective function satisfies a dissipativity property. We also characterize the bias between this expected value and the critical points of the objective function under various local regularity conditions. Together, the above two results could be leveraged to construct confidence intervals for non-convex problems that are trained using the SGD algorithm.
Partial success in closing the gap between human and machine vision
Authors: Robert Geirhos, Kantharaju Narayanappa, Benjamin Mitzkus, Tizian Thieringer, Matthias Bethge, Felix A. Wichmann, Wieland Brendel

A few years ago, the first CNN surpassed human performance on ImageNet. However, it soon became clear that machines lack robustness on more challenging test cases, a major obstacle towards deploying machines "in the wild" and towards obtaining better computational models of human visual perception. Here we ask: Are we making progress in closing the gap between human and machine vision? To answer this question, we tested human observers on a broad range of out-of-distribution (OOD) datasets, recording 85,120 psychophysical trials across 90 participants. We then investigated a range of promising machine learning developments that crucially deviate from standard supervised CNNs along three axes: objective function (self-supervised, adversarially trained, CLIP language-image training), architecture (e.g. vision transformers), and dataset size (ranging from 1M to 1B).

Our findings are threefold.  The longstanding distortion robustness gap between humans and CNNs is closing, with the best models now exceeding human feedforward performance on most of the investigated OOD datasets.  There is still a substantial image-level consistency gap, meaning that humans make different errors than models. In contrast, most models systematically agree in their categorisation errors, even substantially different ones like contrastive self-supervised vs. standard supervised models. (3.) In many cases, human-to-model consistency improves when training dataset size is increased by one to three orders of magnitude. Our results give reason for cautious optimism: While there is still much room for improvement, the behavioural difference between human and machine vision is narrowing. In order to measure future progress, 17 OOD datasets with image-level human behavioural data and evaluation code are provided as a toolbox and benchmark at: https://github.com/bethgelab/model-vs-human/
Particle Dual Averaging: Optimization of Mean Field Neural Network with Global Convergence Rate Analysis
Authors: Atsushi Nitanda, Denny Wu, Taiji Suzuki

We propose the particle dual averaging (PDA) method, which generalizes the dual averaging method in convex optimization to the optimization over probability distributions with quantitative runtime guarantee. The algorithm consists of an inner loop and outer loop: the inner loop utilizes the Langevin algorithm to approximately solve for a stationary distribution, which is then optimized in the outer loop. The method can be interpreted as an extension of the Langevin algorithm to naturally handle nonlinear functional on the probability space. An important application of the proposed method is the optimization of neural network in the mean field regime, which is theoretically attractive due to the presence of nonlinear feature learning, but quantitative convergence rate can be challenging to obtain. By adapting finite-dimensional convex optimization theory into the space of measures, we not only establish global convergence of PDA for two-layer mean field neural networks under more general settings and simpler analysis, but also provide quantitative polynomial runtime guarantee. Our theoretical results are supported by numerical simulations on neural networks with reasonable size.
G-PATE: Scalable Differentially Private Data Generator via Private Aggregation of Teacher Discriminators
Authors: Yunhui Long, Boxin Wang, Zhuolin Yang, Bhavya Kailkhura, Aston Zhang, Carl A. Gunter, Bo Li

Recent advances in machine learning have largely benefited from the massive accessible training data. However, large-scale data sharing has raised great privacy concerns. In this work, we propose a novel privacy-preserving data Generative model based on the PATE framework (G-PATE), aiming to train a scalable differentially private data generator that preserves high generated data utility. Our approach leverages generative adversarial nets to generate data, combined with private aggregation among different discriminators to ensure strong privacy guarantees. Compared to existing approaches, G-PATE significantly improves the use of privacy budgets. In particular, we train a student data generator with an ensemble of teacher discriminators and propose a novel private gradient aggregation mechanism to ensure differential privacy on all information that flows from teacher discriminators to the student generator. In addition, with random projection and gradient discretization, the proposed gradient aggregation mechanism is able to effectively deal with high-dimensional gradient vectors. Theoretically, we prove that G-PATE ensures differential privacy for the data generator.  Empirically, we demonstrate the superiority of G-PATE over prior work through extensive experiments. We show that G-PATE is the first work being able to generate high-dimensional image data with high data utility under limited privacy budgets ($\varepsilon \le 1$). Our code is available at https://github.com/AI-secure/G-PATE.
Multi-modal Dependency Tree for Video Captioning
Authors: Wentian Zhao, Xinxiao Wu, Jiebo Luo

Generating fluent and relevant language to describe visual content is critical for the video captioning task. Many existing methods generate captions using sequence models that predict words in a left-to-right order. In this paper, we investigate a graph-structured model for caption generation by explicitly modeling the hierarchical structure in the sentences to further improve the fluency and relevance of sentences. To this end, we propose a novel video captioning method that generates a sentence by first constructing a multi-modal dependency tree and then traversing the constructed tree, where the syntactic structure and semantic relationship in the sentence are represented by the tree topology. To take full advantage of the information from both vision and language, both the visual and textual representation features are encoded into each tree node. Different from existing dependency parsing methods that generate uni-modal dependency trees for language understanding, our method construct s multi-modal dependency trees for language generation of images and videos. We also propose a tree-structured reinforcement learning algorithm to effectively optimize the captioning model where a novel reward is designed by evaluating the semantic consistency between the generated sub-tree and the ground-truth tree. Extensive experiments on several video captioning datasets demonstrate the effectiveness of the proposed method.
Scalable Inference in SDEs by Direct Matching of the Fokker–Planck–Kolmogorov Equation
Authors: Arno Solin, Ella Maija Tamir, Prakhar Verma

Simulation-based techniques such as variants of stochastic Runge–Kutta are the de facto approach for inference with stochastic differential equations (SDEs) in machine learning. These methods are general-purpose and used with parametric and non-parametric models, and neural SDEs. Stochastic Runge–Kutta relies on the use of sampling schemes that can be inefficient in high dimensions. We address this issue by revisiting the classical SDE literature and derive direct approximations to the (typically intractable) Fokker–Planck–Kolmogorov equation by matching moments. We show how this workflow is fast, scales to high-dimensional latent spaces, and is applicable to scarce-data applications, where a non-parametric SDE with a driving Gaussian process velocity field specifies the model.
Do Input Gradients Highlight Discriminative Features? 
Authors: Harshay Shah, Prateek Jain, Praneeth Netrapalli

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients—gradients of logits with respect to input—noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach:

1. We develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A).

2. We then introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models.

3. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A).

Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.