pwc-archive/papers-with-abstracts huggingface dataset:
Rank-Based Causal Discovery for Post-Nonlinear Models
Authors: Grigor Keropyan, David Strieder, Mathias Drton
Date: 2023-02-23 00:00:00
Tasks: Causal Discovery

Learning causal relationships from empirical observations is a central task in scientific research. A common method is to employ structural causal models that postulate noisy functional relations among a set of interacting variables. To ensure unique identifiability of causal directions, researchers consider restricted subclasses of structural causal models. Post-nonlinear (PNL) causal models constitute one of the most flexible options for such restricted subclasses, containing in particular the popular additive noise models as a further subclass. However, learning PNL models is not well studied beyond the bivariate case. The existing methods learn non-linear functional relations by minimizing residual dependencies and subsequently test independence from residuals to determine causal orientations. However, these methods can be prone to overfitting and, thus, difficult to tune appropriately in practice. As an alternative, we propose a new approach for PNL causal discovery that uses rank-based methods to estimate the functional parameters. This new approach exploits natural invariances of PNL models and disentangles the estimation of the non-linear functions from the independence tests used to find causal orientations. We prove consistency of our method and validate our results in numerical experiments.
On the Limitations of Physics-informed Deep Learning: Illustrations Using First Order Hyperbolic Conservation Law-based Traffic Flow Models
Authors: Archie J. Huang, Shaurya Agarwal
Date: 2023-02-23 00:00:00

Since its introduction in 2017, physics-informed deep learning (PIDL) has garnered growing popularity in understanding the evolution of systems governed by physical laws in terms of partial differential equations (PDEs). However, empirical evidence points to the limitations of PIDL for learning certain types of PDEs. In this paper, we (a) present the challenges in training PIDL architecture, (b) contrast the performance of PIDL architecture in learning a first order scalar hyperbolic conservation law and its parabolic counterpart, (c) investigate the effect of training data sampling, which corresponds to various sensing scenarios in traffic networks, (d) comment on the implications of PIDL limitations for traffic flow estimation and prediction in practice. Detailed in the case study, we present the contradistinction in PIDL results between learning the traffic flow model (LWR PDE) and its variation with diffusion. The outcome indicates that PIDL experiences significant challenges in learning the hyperbolic LWR equation due to the non-smoothness of its solution. On the other hand, the architecture with parabolic PDE, augmented with the diffusion term, leads to the successful reassembly of the density data even with the shockwaves present.
Physics Informed Deep Learning: Applications in Transportation
Authors: Archie J. Huang, Shaurya Agarwal
Date: 2023-02-23 00:00:00
Tasks: Deep Learning, State Estimation

A recent development in machine learning - physics-informed deep learning (PIDL) - presents unique advantages in transportation applications such as traffic state estimation. Consolidating the benefits of deep learning (DL) and the governing physical equations, it shows the potential to complement traditional sensing methods in obtaining traffic states. In this paper, we first explain the conservation law from the traffic flow theory as ``physics'', then present the architecture of a PIDL neural network and demonstrate its effectiveness in learning traffic conditions of unobserved areas. In addition, we also exhibit the data collection scenario using fog computing infrastructure. A case study on estimating the vehicle velocity is presented and the result shows that PIDL surpasses the performance of a regular DL neural network with the same learning architecture, in terms of convergence time and reconstruction accuracy. The encouraging results showcase the broad potential of PIDL for real-time applications in transportation with a low amount of training data.
Using Automated Algorithm Configuration for Parameter Control
Authors: Deyao Chen, Maxim Buzdalov, Carola Doerr, Nguyen Dang
Date: 2023-02-23 00:00:00

Dynamic Algorithm Configuration (DAC) tackles the question of how to automatically learn policies to control parameters of algorithms in a data-driven fashion. This question has received considerable attention from the evolutionary community in recent years. Having a good benchmark collection to gain structural understanding on the effectiveness and limitations of different solution methods for DAC is therefore strongly desirable. Following recent work on proposing DAC benchmarks with well-understood theoretical properties and ground truth information, in this work, we suggest as a new DAC benchmark the controlling of the key parameter $\lambda$ in the $(1+(\lambda,\lambda))$~Genetic Algorithm for solving OneMax problems. We conduct a study on how to solve the DAC problem via the use of (static) automated algorithm configuration on the benchmark, and propose techniques to significantly improve the performance of the approach. Our approach is able to consistently outperform the default parameter control policy of the benchmark derived from previous theoretical work on sufficiently large problem sizes. We also present new findings on the landscape of the parameter-control search policies and propose methods to compute stronger baselines for the benchmark via numerical approximations of the true optimal policies.
Auditing for Spatial Fairness
Authors: Dimitris Sacharidis, Giorgos Giannopoulos, George Papastefanatos, Kostas Stefanidis
Date: 2023-02-23 00:00:00
Tasks: Attribute, Fairness

This paper studies algorithmic fairness when the protected attribute is location. To handle protected attributes that are continuous, such as age or income, the standard approach is to discretize the domain into predefined groups, and compare algorithmic outcomes across groups. However, applying this idea to location raises concerns of gerrymandering and may introduce statistical bias. Prior work addresses these concerns but only for regularly spaced locations, while raising other issues, most notably its inability to discern regions that are likely to exhibit spatial unfairness. Similar to established notions of algorithmic fairness, we define spatial fairness as the statistical independence of outcomes from location. This translates into requiring that for each region of space, the distribution of outcomes is identical inside and outside the region. To allow for localized discrepancies in the distribution of outcomes, we compare how well two competing hypotheses explain the observed outcomes. The null hypothesis assumes spatial fairness, while the alternate allows different distributions inside and outside regions. Their goodness of fit is then assessed by a likelihood ratio test. If there is no significant difference in how well the two hypotheses explain the observed outcomes, we conclude that the algorithm is spatially fair.
Dynamic Regret Analysis of Safe Distributed Online Optimization for Convex and Non-convex Problems
Authors: Ting-Jui Chang, Sapana Chaudhary, Dileep Kalathil, Shahin Shahrampour
Date: 2023-02-23 00:00:00

This paper addresses safe distributed online optimization over an unknown set of linear safety constraints. A network of agents aims at jointly minimizing a global, time-varying function, which is only partially observable to each individual agent. Therefore, agents must engage in local communications to generate a safe sequence of actions competitive with the best minimizer sequence in hindsight, and the gap between the two sequences is quantified via dynamic regret. We propose distributed safe online gradient descent (D-Safe-OGD) with an exploration phase, where all agents estimate the constraint parameters collaboratively to build estimated feasible sets, ensuring the action selection safety during the optimization phase. We prove that for convex functions, D-Safe-OGD achieves a dynamic regret bound of $O(T^{2/3} \sqrt{\log T} + T^{1/3}C_T^*)$, where $C_T^*$ denotes the path-length of the best minimizer sequence. We further prove a dynamic regret bound of $O(T^{2/3} \sqrt{\log T} + T^{2/3}C_T^*)$ for certain non-convex problems, which establishes the first dynamic regret bound for a safe distributed algorithm in the non-convex setting.
Coded Matrix Computations for D2D-enabled Linearized Federated Learning
Authors: Anindya Bijoy Das, Aditya Ramamoorthy, David J. Love, Christopher G. Brinton
Date: 2023-02-23 00:00:00
Tasks: Federated Learning

Federated learning (FL) is a popular technique for training a global model on data distributed across client devices. Like other distributed training techniques, FL is susceptible to straggler (slower or failed) clients. Recent work has proposed to address this through device-to-device (D2D) offloading, which introduces privacy concerns. In this paper, we propose a novel straggler-optimal approach for coded matrix computations which can significantly reduce the communication delay and privacy issues introduced from D2D data transmissions in FL. Moreover, our proposed approach leads to a considerable improvement of the local computation speed when the generated data matrix is sparse. Numerical evaluations confirm the superiority of our proposed method over baseline approaches.
Beyond Moments: Robustly Learning Affine Transformations with Asymptotically Optimal Error
Authors: He Jia, Pravesh K . Kothari, Santosh S. Vempala
Date: 2023-02-23 00:00:00

We present a polynomial-time algorithm for robustly learning an unknown affine transformation of the standard hypercube from samples, an important and well-studied setting for independent component analysis (ICA). Specifically, given an $\epsilon$-corrupted sample from a distribution $D$ obtained by applying an unknown affine transformation $x \rightarrow Ax+s$ to the uniform distribution on a $d$-dimensional hypercube $[-1,1]^d$, our algorithm constructs $\hat{A}, \hat{s}$ such that the total variation distance of the distribution $\hat{D}$ from $D$ is $O(\epsilon)$ using poly$(d)$ time and samples. Total variation distance is the information-theoretically strongest possible notion of distance in our setting and our recovery guarantees in this distance are optimal up to the absolute constant factor multiplying $\epsilon$. In particular, if the columns of $A$ are normalized to be unit length, our total variation distance guarantee implies a bound on the sum of the $\ell_2$ distances between the column vectors of $A$ and $A'$, $\sum_{i =1}^d \|a_i-\hat{a}_i\|_2 = O(\epsilon)$. In contrast, the strongest known prior results only yield a $\epsilon^{O(1)}$ (relative) bound on the distance between individual $a_i$'s and their estimates and translate into an $O(d\epsilon)$ bound on the total variation distance. Our key innovation is a new approach to ICA (even to outlier-free ICA) that circumvents the difficulties in the classical method of moments and instead relies on a new geometric certificate of correctness of an affine transformation. Our algorithm is based on a new method that iteratively improves an estimate of the unknown affine transformation whenever the requirements of the certificate are not met.
Learning stiff chemical kinetics using extended deep neural operators
Authors: Somdatta Goswami, Ameya D. Jagtap, Hessam Babaee, Bryan T. Susi, George Em Karniadakis
Date: 2023-02-23 00:00:00
Tasks: Unity

We utilize neural operators to learn the solution propagator for the challenging chemical kinetics equation. Specifically, we apply the deep operator network (DeepONet) along with its extensions, such as the autoencoder-based DeepONet and the newly proposed Partition-of-Unity (PoU-) DeepONet to study a range of examples, including the ROBERS problem with three species, the POLLU problem with 25 species, pure kinetics of the syngas skeletal model for $CO/H_2$ burning, which contains 11 species and 21 reactions and finally, a temporally developing planar $CO/H_2$ jet flame (turbulent flame) using the same syngas mechanism. We have demonstrated the advantages of the proposed approach through these numerical examples. Specifically, to train the DeepONet for the syngas model, we solve the skeletal kinetic model for different initial conditions. In the first case, we parametrize the initial conditions based on equivalence ratios and initial temperature values. In the second case, we perform a direct numerical simulation of a two-dimensional temporally developing $CO/H_2$ jet flame. Then, we initialize the kinetic model by the thermochemical states visited by a subset of grid points at different time snapshots. Stiff problems are computationally expensive to solve with traditional stiff solvers. Thus, this work aims to develop a neural operator-based surrogate model to solve stiff chemical kinetics. The operator, once trained offline, can accurately integrate the thermochemical state for arbitrarily large time advancements, leading to significant computational gains compared to stiff integration schemes.
Testing Stationarity Concepts for ReLU Networks: Hardness, Regularity, and Robust Algorithms
Authors: Lai Tian, Anthony Man-Cho So
Date: 2023-02-23 00:00:00

We study the computational problem of the stationarity test for the empirical loss of neural networks with ReLU activation functions. Our contributions are: Hardness: We show that checking a certain first-order approximate stationarity concept for a piecewise linear function is co-NP-hard. This implies that testing a certain stationarity concept for a modern nonsmooth neural network is in general computationally intractable. As a corollary, we prove that testing so-called first-order minimality for functions in abs-normal form is co-NP-complete, which was conjectured by Griewank and Walther (2019, SIAM J. Optim., vol. 29, p284). Regularity: We establish a necessary and sufficient condition for the validity of an equality-type subdifferential chain rule in terms of Clarke, Fr\'echet, and limiting subdifferentials of the empirical loss of two-layer ReLU networks. This new condition is simple and efficiently checkable. Robust algorithms: We introduce an algorithmic scheme to test near-approximate stationarity in terms of both Clarke and Fr\'echet subdifferentials. Our scheme makes no false positive or false negative error when the tested point is sufficiently close to a stationary one and a certain qualification is satisfied. This is the first practical and robust stationarity test approach for two-layer ReLU networks.
Solving differential equations using physics informed deep learning: a hand-on tutorial with benchmark tests
Authors: Hubert Baty, Leo Baty
Date: 2023-02-23 00:00:00

We revisit the original approach of using deep learning and neural networks to solve differential equations by incorporating the knowledge of the equation. This is done by adding a dedicated term to the loss function during the optimization procedure in the training process. The so-called physics-informed neural networks (PINNs) are tested on a variety of academic ordinary differential equations in order to highlight the benefits and drawbacks of this approach with respect to standard integration methods. We focus on the possibility to use the least possible amount of data into the training process. The principles of PINNs for solving differential equations by enforcing physical laws via penalizing terms are reviewed. A tutorial on a simple equation model illustrates how to put into practice the method for ordinary differential equations. Benchmark tests show that a very small amount of training data is sufficient to predict the solution when the non linearity of the problem is weak. However, this is not the case in strongly non linear problems where a priori knowledge of training data over some partial or the whole time integration interval is necessary.
Understanding the Impact of Competing Events on Heterogeneous Treatment Effect Estimation from Time-to-Event Data
Authors: Alicia Curth, Mihaela van der Schaar
Date: 2023-02-23 00:00:00
Tasks: Heterogeneous Treatment Effect Estimation

We study the problem of inferring heterogeneous treatment effects (HTEs) from time-to-event data in the presence of competing events. Albeit its great practical relevance, this problem has received little attention compared to its counterparts studying HTE estimation without time-to-event data or competing events. We take an outcome modeling approach to estimating HTEs, and consider how and when existing prediction models for time-to-event data can be used as plug-in estimators for potential outcomes. We then investigate whether competing events present new challenges for HTE estimation -- in addition to the standard confounding problem --, and find that, because there are multiple definitions of causal effects in this setting -- namely total, direct and separable effects --, competing events can act as an additional source of covariate shift depending on the desired treatment effect interpretation and associated estimand. We theoretically analyze and empirically illustrate when and how these challenges play a role when using generic machine learning prediction models for the estimation of HTEs.
Data leakage in cross-modal retrieval training: A case study
Authors: Benno Weck, Xavier Serra
Date: 2023-02-23 00:00:00
Tasks: Cross-Modal Retrieval, Retrieval, Text to Audio Retrieval

The recent progress in text-based audio retrieval was largely propelled by the release of suitable datasets. Since the manual creation of such datasets is a laborious task, obtaining data from online resources can be a cheap solution to create large-scale datasets. We study the recently proposed SoundDesc benchmark dataset, which was automatically sourced from the BBC Sound Effects web page. In our analysis, we find that SoundDesc contains several duplicates that cause leakage of training data to the evaluation data. This data leakage ultimately leads to overly optimistic retrieval performance estimates in previous benchmarks. We propose new training, validation, and testing splits for the dataset that we make available online. To avoid weak contamination of the test data, we pool audio files that share similar recording setups. In our experiments, we find that the new splits serve as a more challenging benchmark.
Modeling Molecular Structures with Intrinsic Diffusion Models
Authors: Gabriele Corso
Date: 2023-02-23 00:00:00
Tasks: Computational chemistry, Molecular Docking

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However, a fundamental challenge with this approach has been the dynamic nature of these particles, which forces us to model not a single but a whole distribution of structures for every molecular system. This thesis proposes Intrinsic Diffusion Modeling, a novel approach to this problem based on combining diffusion generative models with scientific knowledge about the flexibility of biological complexes. The knowledge of these degrees of freedom is translated into the definition of a manifold over which the diffusion process is defined. This manifold significantly reduces the dimensionality and increases the smoothness of the generation space allowing for significantly faster and more accurate generative processes. We demonstrate the effectiveness of this approach on two fundamental tasks at the basis of computational chemistry and biology: molecular conformer generation and molecular docking. In both tasks, we construct the first deep learning method to outperform traditional computational approaches achieving an unprecedented level of accuracy for scalable programs.
Improving Massively Multilingual ASR With Auxiliary CTC Objectives
Authors: William Chen, Brian Yan, Jiatong Shi, Yifan Peng, Soumi Maiti, Shinji Watanabe
Date: 2023-02-24 00:00:00
Tasks: Automatic Speech Recognition, Automatic Speech Recognition (ASR), speech-recognition, Speech Recognition

Multilingual Automatic Speech Recognition (ASR) models have extended the usability of speech technologies to a wide variety of languages. With how many languages these models have to handle, however, a key to understanding their imbalanced performance across different languages is to examine if the model actually knows which language it should transcribe. In this paper, we introduce our work on improving performance on FLEURS, a 102-language open ASR benchmark, by conditioning the entire model on language identity (LID). We investigate techniques inspired from recent Connectionist Temporal Classification (CTC) studies to help the model handle the large number of languages, conditioning on the LID predictions of auxiliary tasks. Our experimental results demonstrate the effectiveness of our technique over standard CTC/Attention-based hybrid models. Furthermore, our state-of-the-art systems using self-supervised models with the Conformer architecture improve over the results of prior work on FLEURS by a relative 28.4% CER. Trained models and reproducible recipes are available at https://github.com/espnet/espnet/tree/master/egs2/fleurs/asr1 .
Automatic Prompt Augmentation and Selection with Chain-of-Thought from Labeled Data
Authors: Kashun Shum, Shizhe Diao, Tong Zhang
Date: 2023-02-24 00:00:00
Tasks: Arithmetic Reasoning, Language Modelling

Chain-of-thought (CoT) advances the reasoning abilities of large language models (LLMs) and achieves superior performance in complex reasoning tasks. However, most CoT studies rely on carefully designed human-annotated rational chains to prompt LLMs, posing challenges for real-world applications where labeled data is available without rational chains. This paper proposes a new strategy, Automate-CoT (Automatic Prompt Augmentation and Selection with Chain-of-Thought), that can bypass human engineering of CoT by automatically augmenting rational chains from a small labeled dataset, and then pruning low-quality chains to construct a candidate pool of machine-generated rationale chains based on the labels. Finally, it selects the optimal combination of several rationale chains from the pool for CoT prompting by employing a variance-reduced policy gradient strategy to estimate the significance of each example. Automate-CoT enables a quick adaptation of the CoT technique to different tasks. Experimental results demonstrate the effectiveness of our method, where competitive results are achieved on arithmetic reasoning (+2.7%), commonsense reasoning (+3.4%), symbolic reasoning (+3.2%), and non-reasoning tasks (+2.5%). The code is available at https://github.com/SHUMKASHUN/Automate-CoT.
Ensemble knowledge distillation of self-supervised speech models
Authors: Kuan-Po Huang, Tzu-hsun Feng, Yu-Kuan Fu, Tsu-Yuan Hsu, Po-Chieh Yen, Wei-Cheng Tseng, Kai-Wei Chang, Hung-Yi Lee
Date: 2023-02-24 00:00:00
Tasks: Automatic Speech Recognition, Automatic Speech Recognition (ASR), Emotion Recognition, Knowledge Distillation, Phoneme Recognition, Speaker Identification, speech-recognition, Speech Recognition

Distilled self-supervised models have shown competitive performance and efficiency in recent years. However, there is a lack of experience in jointly distilling multiple self-supervised speech models. In our work, we performed Ensemble Knowledge Distillation (EKD) on various self-supervised speech models such as HuBERT, RobustHuBERT, and WavLM. We tried two different aggregation techniques, layerwise-average and layerwise-concatenation, to the representations of different teacher models and found that the former was more effective. On top of that, we proposed a multiple prediction head method for student models to predict different layer outputs of multiple teacher models simultaneously. The experimental results show that our method improves the performance of the distilled models on four downstream speech processing tasks, Phoneme Recognition, Speaker Identification, Emotion Recognition, and Automatic Speech Recognition in the hidden-set track of the SUPERB benchmark.