pwc-archive/papers-with-abstracts huggingface dataset:
Indiscriminate Disruption of Conditional Inference on Multivariate Gaussians
Authors: William N. Caballero, Matthew LaRosa, Alexander Fisher, Vahid Tarokh
Date: 2024-11-21 00:00:00
Tasks: Bayesian Optimization

The multivariate Gaussian distribution underpins myriad operations-research, decision-analytic, and machine-learning models (e.g., Bayesian optimization, Gaussian influence diagrams, and variational autoencoders). However, despite recent advances in adversarial machine learning (AML), inference for Gaussian models in the presence of an adversary is notably understudied. Therefore, we consider a self-interested attacker who wishes to disrupt a decisionmaker's conditional inference and subsequent actions by corrupting a set of evidentiary variables. To avoid detection, the attacker also desires the attack to appear plausible wherein plausibility is determined by the density of the corrupted evidence. We consider white- and grey-box settings such that the attacker has complete and incomplete knowledge about the decisionmaker's underlying multivariate Gaussian distribution, respectively. Select instances are shown to reduce to quadratic and stochastic quadratic programs, and structural properties are derived to inform solution methods. We assess the impact and efficacy of these attacks in three examples, including, real estate evaluation, interest rate estimation and signals processing. Each example leverages an alternative underlying model, thereby highlighting the attacks' broad applicability. Through these applications, we also juxtapose the behavior of the white- and grey-box attacks to understand how uncertainty and structure affect attacker behavior.
Agnostic Learning of Arbitrary ReLU Activation under Gaussian Marginals
Authors: Anxin Guo, Aravindan Vijayaraghavan
Date: 2024-11-21 00:00:00

We consider the problem of learning an arbitrarily-biased ReLU activation (or neuron) over Gaussian marginals with the squared loss objective. Despite the ReLU neuron being the basic building block of modern neural networks, we still do not understand the basic algorithmic question of whether one arbitrary ReLU neuron is learnable in the non-realizable setting. In particular, all existing polynomial time algorithms only provide approximation guarantees for the better-behaved unbiased setting or restricted bias setting. Our main result is a polynomial time statistical query (SQ) algorithm that gives the first constant factor approximation for arbitrary bias. It outputs a ReLU activation that achieves a loss of $O(\mathrm{OPT}) + \varepsilon$ in time $\mathrm{poly}(d,1/\varepsilon)$, where $\mathrm{OPT}$ is the loss obtained by the optimal ReLU activation. Our algorithm presents an interesting departure from existing algorithms, which are all based on gradient descent and thus fall within the class of correlational statistical query (CSQ) algorithms. We complement our algorithmic result by showing that no polynomial time CSQ algorithm can achieve a constant factor approximation. Together, these results shed light on the intrinsic limitation of gradient descent, while identifying arguably the simplest setting (a single neuron) where there is a separation between SQ and CSQ algorithms.
Overcomplete Tensor Decomposition via Koszul-Young Flattenings
Authors: Pravesh K. Kothari, Ankur Moitra, Alexander S. Wein
Date: 2024-11-21 00:00:00
Tasks: Tensor Decomposition

Motivated by connections between algebraic complexity lower bounds and tensor decompositions, we investigate Koszul-Young flattenings, which are the main ingredient in recent lower bounds for matrix multiplication. Based on this tool we give a new algorithm for decomposing an $n_1 \times n_2 \times n_3$ tensor as the sum of a minimal number of rank-1 terms, and certifying uniqueness of this decomposition. For $n_1 \le n_2 \le n_3$ with $n_1 \to \infty$ and $n_3/n_2 = O(1)$, our algorithm is guaranteed to succeed when the tensor rank is bounded by $r \le (1-\epsilon)(n_2 + n_3)$ for an arbitrary $\epsilon > 0$, provided the tensor components are generically chosen. For any fixed $\epsilon$, the runtime is polynomial in $n_3$. When $n_2 = n_3 = n$, our condition on the rank gives a factor-of-2 improvement over the classical simultaneous diagonalization algorithm, which requires $r \le n$, and also improves on the recent algorithm of Koiran (2024) which requires $r \le 4n/3$. It also improves on the PhD thesis of Persu (2018) which solves rank detection for $r \leq 3n/2$. We complement our upper bounds by showing limitations, in particular that no flattening of the style we consider can surpass rank $n_2 + n_3$. Furthermore, for $n \times n \times n$ tensors, we show that an even more general class of degree-$d$ polynomial flattenings cannot surpass rank $Cn$ for a constant $C = C(d)$. This suggests that for tensor decompositions, the case of generic components may be fundamentally harder than that of random components, where efficient decomposition is possible even in highly overcomplete settings.
Logarithmic Neyman Regret for Adaptive Estimation of the Average Treatment Effect
Authors: Ojash Neopane, Aaditya Ramdas, Aarti Singh
Date: 2024-11-21 00:00:00
Tasks: Causal Inference, Off-policy evaluation

Estimation of the Average Treatment Effect (ATE) is a core problem in causal inference with strong connections to Off-Policy Evaluation in Reinforcement Learning. This paper considers the problem of adaptively selecting the treatment allocation probability in order to improve estimation of the ATE. The majority of prior work on adaptive ATE estimation focus on asymptotic guarantees, and in turn overlooks important practical considerations such as the difficulty of learning the optimal treatment allocation as well as hyper-parameter selection. Existing non-asymptotic methods are limited by poor empirical performance and exponential scaling of the Neyman regret with respect to problem parameters. In order to address these gaps, we propose and analyze the Clipped Second Moment Tracking (ClipSMT) algorithm, a variant of an existing algorithm with strong asymptotic optimality guarantees, and provide finite sample bounds on its Neyman regret. Our analysis shows that ClipSMT achieves exponential improvements in Neyman regret on two fronts: improving the dependence on $T$ from $O(\sqrt{T})$ to $O(\log T)$, as well as reducing the exponential dependence on problem parameters to a polynomial dependence. Finally, we conclude with simulations which show the marked improvement of ClipSMT over existing approaches.
Model-free learning of probability flows: Elucidating the nonequilibrium dynamics of flocking
Authors: Nicholas M. Boffi, Eric Vanden-Eijnden
Date: 2024-11-21 00:00:00

Active systems comprise a class of nonequilibrium dynamics in which individual components autonomously dissipate energy. Efforts towards understanding the role played by activity have centered on computation of the entropy production rate (EPR), which quantifies the breakdown of time reversal symmetry. A fundamental difficulty in this program is that high dimensionality of the phase space renders traditional computational techniques infeasible for estimating the EPR. Here, we overcome this challenge with a novel deep learning approach that estimates probability currents directly from stochastic system trajectories. We derive a new physical connection between the probability current and two local definitions of the EPR for inertial systems, which we apply to characterize the departure from equilibrium in a canonical model of flocking. Our results highlight that entropy is produced and consumed on the spatial interface of a flock as the interplay between alignment and fluctuation dynamically creates and annihilates order. By enabling the direct visualization of when and where a given system is out of equilibrium, we anticipate that our methodology will advance the understanding of a broad class of complex nonequilibrium dynamics.
Outlier-robust Mean Estimation near the Breakdown Point via Sum-of-Squares
Authors: Hongjie Chen, Deepak Narayanan Sridharan, David Steurer
Date: 2024-11-21 00:00:00

We revisit the problem of estimating the mean of a high-dimensional distribution in the presence of an $\varepsilon$-fraction of adversarial outliers. When $\varepsilon$ is at most some sufficiently small constant, previous works can achieve optimal error rate efficiently \cite{diakonikolas2018robustly, kothari2018robust}. As $\varepsilon$ approaches the breakdown point $\frac{1}{2}$, all previous algorithms incur either sub-optimal error rates or exponential running time. In this paper we give a new analysis of the canonical sum-of-squares program introduced in \cite{kothari2018robust} and show that this program efficiently achieves optimal error rate for all $\varepsilon \in[0,\frac{1}{2})$. The key ingredient for our results is a new identifiability proof for robust mean estimation that focuses on the overlap between the distributions instead of their statistical distance as in previous works. We capture this proof within the sum-of-squares proof system, thus obtaining efficient algorithms using the sum-of-squares proofs to algorithms paradigm \cite{raghavendra2018high}.
Improving Routability Prediction via NAS Using a Smooth One-shot Augmented Predictor
Authors: Arjun Sridhar, Chen-Chia Chang, Junyao Zhang, Yiran Chen
Date: 2024-11-21 00:00:00
Tasks: Data Augmentation, Neural Architecture Search

Routability optimization in modern EDA tools has benefited greatly from using machine learning (ML) models. Constructing and optimizing the performance of ML models continues to be a challenge. Neural Architecture Search (NAS) serves as a tool to aid in the construction and improvement of these models. Traditional NAS techniques struggle to perform well on routability prediction as a result of two primary factors. First, the separation between the training objective and the search objective adds noise to the NAS process. Secondly, the increased variance of the search objective further complicates performing NAS. We craft a novel NAS technique, coined SOAP-NAS, to address these challenges through novel data augmentation techniques and a novel combination of one-shot and predictor-based NAS. Results show that our technique outperforms existing solutions by 40% closer to the ideal performance measured by ROC-AUC (area under the receiver operating characteristic curve) in DRC hotspot detection. SOAPNet is able to achieve an ROC-AUC of 0.9802 and a query time of only 0.461 ms.
On the Sample Complexity of One Hidden Layer Networks with Equivariance, Locality and Weight Sharing
Authors: Arash Behboodi, Gabriele Cesa
Date: 2024-11-21 00:00:00
Tasks: Learning Theory

Weight sharing, equivariance, and local filters, as in convolutional neural networks, are believed to contribute to the sample efficiency of neural networks. However, it is not clear how each one of these design choices contributes to the generalization error. Through the lens of statistical learning theory, we aim to provide insight into this question by characterizing the relative impact of each choice on the sample complexity. We obtain lower and upper sample complexity bounds for a class of single hidden layer networks. For a large class of activation functions, the bounds depend merely on the norm of filters and are dimension-independent. We also provide bounds for max-pooling and an extension to multi-layer networks, both with mild dimension dependence. We provide a few takeaways from the theoretical results. It can be shown that depending on the weight-sharing mechanism, the non-equivariant weight-sharing can yield a similar generalization bound as the equivariant one. We show that locality has generalization benefits, however the uncertainty principle implies a trade-off between locality and expressivity. We conduct extensive experiments and highlight some consistent trends for these models.
Simulation-Aided Policy Tuning for Black-Box Robot Learning
Authors: Shiming He, Alexander von Rohr, Dominik Baumann, Ji Xiang, Sebastian Trimpe
Date: 2024-11-21 00:00:00

How can robots learn and adapt to new tasks and situations with little data? Systematic exploration and simulation are crucial tools for efficient robot learning. We present a novel black-box policy search algorithm focused on data-efficient policy improvements. The algorithm learns directly on the robot and treats simulation as an additional information source to speed up the learning process. At the core of the algorithm, a probabilistic model learns the dependence of the policy parameters and the robot learning objective not only by performing experiments on the robot, but also by leveraging data from a simulator. This substantially reduces interaction time with the robot. Using this model, we can guarantee improvements with high probability for each policy update, thereby facilitating fast, goal-oriented learning. We evaluate our algorithm on simulated fine-tuning tasks and demonstrate the data-efficiency of the proposed dual-information source optimization algorithm. In a real robot learning experiment, we show fast and successful task learning on a robot manipulator with the aid of an imperfect simulator.
Learning Pore-scale Multi-phase Flow from Experimental Data with Graph Neural Network
Authors: Yuxuan Gu, Catherine Spurin, Gege Wen
Date: 2024-11-21 00:00:00
Tasks: Computational Efficiency, Graph Neural Network

Understanding the process of multiphase fluid flow through porous media is crucial for many climate change mitigation technologies, including CO$_2$ geological storage, hydrogen storage, and fuel cells. However, current numerical models are often incapable of accurately capturing the complex pore-scale physics observed in experiments. In this study, we address this challenge using a graph neural network-based approach and directly learn pore-scale fluid flow using micro-CT experimental data. We propose a Long-Short-Edge MeshGraphNet (LSE-MGN) that predicts the state of each node in the pore space at each time step. During inference, given an initial state, the model can autoregressively predict the evolution of the multiphase flow process over time. This approach successfully captures the physics from the high-resolution experimental data while maintaining computational efficiency, providing a promising direction for accurate and efficient pore-scale modeling of complex multiphase fluid flow dynamics.
SPARKLE: A Unified Single-Loop Primal-Dual Framework for Decentralized Bilevel Optimization
Authors: Shuchen Zhu, Boao Kong, Songtao Lu, Xinmeng Huang, Kun Yuan
Date: 2024-11-21 00:00:00
Tasks: Bilevel Optimization

This paper studies decentralized bilevel optimization, in which multiple agents collaborate to solve problems involving nested optimization structures with neighborhood communications. Most existing literature primarily utilizes gradient tracking to mitigate the influence of data heterogeneity, without exploring other well-known heterogeneity-correction techniques such as EXTRA or Exact Diffusion. Additionally, these studies often employ identical decentralized strategies for both upper- and lower-level problems, neglecting to leverage distinct mechanisms across different levels. To address these limitations, this paper proposes SPARKLE, a unified Single-loop Primal-dual AlgoRithm frameworK for decentraLized bilEvel optimization. SPARKLE offers the flexibility to incorporate various heterogeneitycorrection strategies into the algorithm. Moreover, SPARKLE allows for different strategies to solve upper- and lower-level problems. We present a unified convergence analysis for SPARKLE, applicable to all its variants, with state-of-the-art convergence rates compared to existing decentralized bilevel algorithms. Our results further reveal that EXTRA and Exact Diffusion are more suitable for decentralized bilevel optimization, and using mixed strategies in bilevel algorithms brings more benefits than relying solely on gradient tracking.
Adjoint-based online learning of two-layer quasi-geostrophic baroclinic turbulence
Authors: Fei Er Yan, Hugo Frezat, Julien Le Sommer, Julian Mak, Karl Otness
Date: 2024-11-21 00:00:00

For reasons of computational constraint, most global ocean circulation models used for Earth System Modeling still rely on parameterizations of sub-grid processes, and limitations in these parameterizations affect the modeled ocean circulation and impact on predictive skill. An increasingly popular approach is to leverage machine learning approaches for parameterizations, regressing for a map between the resolved state and missing feedbacks in a fluid system as a supervised learning task. However, the learning is often performed in an `offline' fashion, without involving the underlying fluid dynamical model during the training stage. Here, we explore the `online' approach that involves the fluid dynamical model during the training stage for the learning of baroclinic turbulence and its parameterization, with reference to ocean eddy parameterization. Two online approaches are considered: a full adjoint-based online approach, related to traditional adjoint optimization approaches that require a `differentiable' dynamical model, and an approximately online approach that approximates the adjoint calculation and does not require a differentiable dynamical model. The online approaches are found to be generally more skillful and numerically stable than offline approaches. Others details relating to online training, such as window size, machine learning model set up and designs of the loss functions are detailed to aid in further explorations of the online training methodology for Earth System Modeling.
GNN-MultiFix: Addressing the pitfalls for GNNs for multi-label node classification
Authors: Tianqi Zhao, Megha Khosla
Date: 2024-11-21 00:00:00
Tasks: Node Classification

Graph neural networks (GNNs) have emerged as powerful models for learning representations of graph data showing state of the art results in various tasks. Nevertheless, the superiority of these methods is usually supported by either evaluating their performance on small subset of benchmark datasets or by reasoning about their expressive power in terms of certain graph isomorphism tests. In this paper we critically analyse both these aspects through a transductive setting for the task of node classification. First, we delve deeper into the case of multi-label node classification which offers a more realistic scenario and has been ignored in most of the related works. Through analysing the training dynamics for GNN methods we highlight the failure of GNNs to learn over multi-label graph datasets even for the case of abundant training data. Second, we show that specifically for transductive node classification, even the most expressive GNN may fail to learn in absence of node attributes and without using explicit label information as input. To overcome this deficit, we propose a straightforward approach, referred to as GNN-MultiFix, that integrates the feature, label, and positional information of a node. GNN-MultiFix demonstrates significant improvement across all the multi-label datasets. We release our code at https://anonymous.4open.science/r/Graph-MultiFix-4121.
Exploration by Running Away from the Past
Authors: Paul-Antoine Le Tolguenec, Yann Besse, Florent Teichteil-Koenigsbuch, Dennis G. Wilson, Emmanuel Rachelson
Date: 2024-11-21 00:00:00

The ability to explore efficiently and effectively is a central challenge of reinforcement learning. In this work, we consider exploration through the lens of information theory. Specifically, we cast exploration as a problem of maximizing the Shannon entropy of the state occupation measure. This is done by maximizing a sequence of divergences between distributions representing an agent's past behavior and its current behavior. Intuitively, this encourages the agent to explore new behaviors that are distinct from past behaviors. Hence, we call our method RAMP, for ``$\textbf{R}$unning $\textbf{A}$way fro$\textbf{m}$ the $\textbf{P}$ast.'' A fundamental question of this method is the quantification of the distribution change over time. We consider both the Kullback-Leibler divergence and the Wasserstein distance to quantify divergence between successive state occupation measures, and explain why the former might lead to undesirable exploratory behaviors in some tasks. We demonstrate that by encouraging the agent to explore by actively distancing itself from past experiences, it can effectively explore mazes and a wide range of behaviors on robotic manipulation and locomotion tasks.
REFOL: Resource-Efficient Federated Online Learning for Traffic Flow Forecasting
Authors: Qingxiang Liu, Sheng Sun, Yuxuan Liang, Xiaolong Xu, Min Liu, Muhammad Bilal, Yuwei Wang, Xujing Li, Yu Zheng
Date: 2024-11-21 00:00:00
Tasks: Federated Learning

Multiple federated learning (FL) methods are proposed for traffic flow forecasting (TFF) to avoid heavy-transmission and privacy-leaking concerns resulting from the disclosure of raw data in centralized methods. However, these FL methods adopt offline learning which may yield subpar performance, when concept drift occurs, i.e., distributions of historical and future data vary. Online learning can detect concept drift during model training, thus more applicable to TFF. Nevertheless, the existing federated online learning method for TFF fails to efficiently solve the concept drift problem and causes tremendous computing and communication overhead. Therefore, we propose a novel method named Resource-Efficient Federated Online Learning (REFOL) for TFF, which guarantees prediction performance in a communication-lightweight and computation-efficient way. Specifically, we design a data-driven client participation mechanism to detect the occurrence of concept drift and determine clients' participation necessity. Subsequently, we propose an adaptive online optimization strategy, which guarantees prediction performance and meanwhile avoids meaningless model updates. Then, a graph convolution-based model aggregation mechanism is designed, aiming to assess participants' contribution based on spatial correlation without importing extra communication and computing consumption on clients. Finally, we conduct extensive experiments on real-world datasets to demonstrate the superiority of REFOL in terms of prediction improvement and resource economization.
Teaching MLPs to Master Heterogeneous Graph-Structured Knowledge for Efficient and Accurate Inference
Authors: Yunhui Liu, Xinyi Gao, Tieke He, Jianhua Zhao, Hongzhi Yin
Date: 2024-11-21 00:00:00
Tasks: Graph Learning, Knowledge Distillation

Heterogeneous Graph Neural Networks (HGNNs) have achieved promising results in various heterogeneous graph learning tasks, owing to their superiority in capturing the intricate relationships and diverse relational semantics inherent in heterogeneous graph structures. However, the neighborhood-fetching latency incurred by structure dependency in HGNNs makes it challenging to deploy for latency-constrained applications that require fast inference. Inspired by recent GNN-to-MLP knowledge distillation frameworks, we introduce HG2M and HG2M+ to combine both HGNN's superior performance and MLP's efficient inference. HG2M directly trains student MLPs with node features as input and soft labels from teacher HGNNs as targets, and HG2M+ further distills reliable and heterogeneous semantic knowledge into student MLPs through reliable node distillation and reliable meta-path distillation. Experiments conducted on six heterogeneous graph datasets show that despite lacking structural dependencies, HG2Ms can still achieve competitive or even better performance than HGNNs and significantly outperform vanilla MLPs. Moreover, HG2Ms demonstrate a 379.24$\times$ speedup in inference over HGNNs on the large-scale IGB-3M-19 dataset, showcasing their ability for latency-sensitive deployments.