pwc-archive/papers-with-abstracts huggingface dataset:
Review of Machine Learning Methods for Additive Manufacturing of Functionally Graded Materials
Authors: Mohammad Karimzadeh, Deekshith Basvoju, Aleksandar Vakanski, Indrajit Charit, Fei Xu, Xinchang Zhang
Date: 2023-09-28 00:00:00
Tasks: Defect Detection

Additive Manufacturing (AM) is a transformative manufacturing technology enabling direct fabrication of complex parts layer-be-layer from 3D modeling data. Among AM applications, the fabrication of Functionally Graded Materials (FGMs) has significant importance due to the potential to enhance component performance across several industries. FGMs are manufactured with a gradient composition transition between dissimilar materials, enabling the design of new materials with location-dependent mechanical and physical properties. This study presents a comprehensive review of published literature pertaining to the implementation of Machine Learning (ML) techniques in AM, with an emphasis on ML-based methods for optimizing FGMs fabrication processes. Through an extensive survey of the literature, this review article explores the role of ML in addressing the inherent challenges in FGMs fabrication and encompasses parameter optimization, defect detection, and real-time monitoring. The article also provides a discussion of future research directions and challenges in employing ML-based methods in AM fabrication of FGMs.
CRIMED: Lower and Upper Bounds on Regret for Bandits with Unbounded Stochastic Corruption
Authors: Shubhada Agrawal, Timothée Mathieu, Debabrota Basu, Odalric-Ambrym Maillard
Date: 2023-09-28 00:00:00

We investigate the regret-minimisation problem in a multi-armed bandit setting with arbitrary corruptions. Similar to the classical setup, the agent receives rewards generated independently from the distribution of the arm chosen at each time. However, these rewards are not directly observed. Instead, with a fixed $\varepsilon\in (0,\frac{1}{2})$, the agent observes a sample from the chosen arm's distribution with probability $1-\varepsilon$, or from an arbitrary corruption distribution with probability $\varepsilon$. Importantly, we impose no assumptions on these corruption distributions, which can be unbounded. In this setting, accommodating potentially unbounded corruptions, we establish a problem-dependent lower bound on regret for a given family of arm distributions. We introduce CRIMED, an asymptotically-optimal algorithm that achieves the exact lower bound on regret for bandits with Gaussian distributions with known variance. Additionally, we provide a finite-sample analysis of CRIMED's regret performance. Notably, CRIMED can effectively handle corruptions with $\varepsilon$ values as high as $\frac{1}{2}$. Furthermore, we develop a tight concentration result for medians in the presence of arbitrary corruptions, even with $\varepsilon$ values up to $\frac{1}{2}$, which may be of independent interest. We also discuss an extension of the algorithm for handling misspecification in Gaussian model.
Correcting for heterogeneity in real-time epidemiological indicators
Authors: Aaron Rumack, Roni Rosenfeld, F. William Townes
Date: 2023-09-28 00:00:00

Auxiliary data sources have become increasingly important in epidemiological surveillance, as they are often available at a finer spatial and temporal resolution, larger coverage, and lower latency than traditional surveillance signals. We describe the problem of spatial and temporal heterogeneity in these signals derived from these data sources, where spatial and/or temporal biases are present. We present a method to use a ``guiding'' signal to correct for these biases and produce a more reliable signal that can be used for modeling and forecasting. The method assumes that the heterogeneity can be approximated by a low-rank matrix and that the temporal heterogeneity is smooth over time. We also present a hyperparameter selection algorithm to choose the parameters representing the matrix rank and degree of temporal smoothness of the corrections. In the absence of ground truth, we use maps and plots to argue that this method does indeed reduce heterogeneity. Reducing heterogeneity from auxiliary data sources greatly increases their utility in modeling and forecasting epidemics.
Unsupervised Pretraining for Fact Verification by Language Model Distillation
Authors: Adrián Bazaga, Pietro Liò, Gos Micklem
Date: 2023-09-28 00:00:00
Tasks: Fact Verification, Language Modeling, Language Modelling, Linear evaluation

Fact verification aims to verify a claim using evidence from a trustworthy knowledge base. To address this challenge, algorithms must produce features for every claim that are both semantically meaningful, and compact enough to find a semantic alignment with the source information. In contrast to previous work, which tackled the alignment problem by learning over annotated corpora of claims and their corresponding labels, we propose SFAVEL (Self-supervised Fact Verification via Language Model Distillation), a novel unsupervised pretraining framework that leverages pre-trained language models to distil self-supervised features into high-quality claim-fact alignments without the need for annotations. This is enabled by a novel contrastive loss function that encourages features to attain high-quality claim and evidence alignments whilst preserving the semantic relationships across the corpora. Notably, we present results that achieve a new state-of-the-art on FB15k-237 (+5.3% Hits@1) and FEVER (+8% accuracy) with linear evaluation.
Generating Personalized Insulin Treatments Strategies with Deep Conditional Generative Time Series Models
Authors: Manuel Schürch, Xiang Li, Ahmed Allam, Giulia Rathmes, Amina Mollaysa, Claudia Cavelti-Weder, Michael Krauthammer
Date: 2023-09-28 00:00:00
Tasks: Time Series

We propose a novel framework that combines deep generative time series models with decision theory for generating personalized treatment strategies. It leverages historical patient trajectory data to jointly learn the generation of realistic personalized treatment and future outcome trajectories through deep generative time series models. In particular, our framework enables the generation of novel multivariate treatment strategies tailored to the personalized patient history and trained for optimal expected future outcomes based on conditional expected utility maximization. We demonstrate our framework by generating personalized insulin treatment strategies and blood glucose predictions for hospitalized diabetes patients, showcasing the potential of our approach for generating improved personalized treatment strategies. Keywords: deep generative model, probabilistic decision support, personalized treatment generation, insulin and blood glucose prediction
AtomSurf : Surface Representation for Learning on Protein Structures
Authors: Vincent Mallet, Souhaib Attaiki, Yangyang Miao, Bruno Correia, Maks Ovsjanikov
Date: 2023-09-28 00:00:00
Tasks: Atom3D benchmark, Protein Structure Prediction

While there has been significant progress in evaluating and comparing different representations for learning on protein data, the role of surface-based learning approaches remains not well-understood. In particular, there is a lack of direct and fair benchmark comparison between the best available surface-based learning methods against alternative representations such as graphs. Moreover, the few existing surface-based approaches either use surface information in isolation or, at best, perform global pooling between surface and graph-based architectures. In this work, we fill this gap by first adapting a state-of-the-art surface encoder for protein learning tasks. We then perform a direct and fair comparison of the resulting method against alternative approaches within the Atom3D benchmark, highlighting the limitations of pure surface-based learning. Finally, we propose an integrated approach, which allows learned feature sharing between graphs and surface representations on the level of nodes and vertices $\textit{across all layers}$. We demonstrate that the resulting architecture achieves state-of-the-art results on all tasks in the Atom3D benchmark, while adhering to the strict benchmark protocol, as well as more broadly on binding site identification and binding pocket classification. Furthermore, we use coarsened surfaces and optimize our approach for efficiency, making our tool competitive in training and inference time with existing techniques. Our code and data can be found online: $\texttt{github.com/Vincentx15/atomsurf}$
Towards Poisoning Fair Representations
Authors: Tianci Liu, Haoyu Wang, Feijie Wu, Hengtong Zhang, Pan Li, Lu Su, Jing Gao
Date: 2023-09-28 00:00:00
Tasks: Bilevel Optimization, Data Poisoning, Fairness, Representation Learning

Fair machine learning seeks to mitigate model prediction bias against certain demographic subgroups such as elder and female. Recently, fair representation learning (FRL) trained by deep neural networks has demonstrated superior performance, whereby representations containing no demographic information are inferred from the data and then used as the input to classification or other downstream tasks. Despite the development of FRL methods, their vulnerability under data poisoning attack, a popular protocol to benchmark model robustness under adversarial scenarios, is under-explored. Data poisoning attacks have been developed for classical fair machine learning methods which incorporate fairness constraints into shallow-model classifiers. Nonetheless, these attacks fall short in FRL due to notably different fairness goals and model architectures. This work proposes the first data poisoning framework attacking FRL. We induce the model to output unfair representations that contain as much demographic information as possible by injecting carefully crafted poisoning samples into the training data. This attack entails a prohibitive bilevel optimization, wherefore an effective approximated solution is proposed. A theoretical analysis on the needed number of poisoning samples is derived and sheds light on defending against the attack. Experiments on benchmark fairness datasets and state-of-the-art fair representation learning models demonstrate the superiority of our attack.
High-dimensional robust regression under heavy-tailed data: Asymptotics and Universality
Authors: Urte Adomaityte, Leonardo Defilippis, Bruno Loureiro, Gabriele Sicuro
Date: 2023-09-28 00:00:00
Tasks: regression

We investigate the high-dimensional properties of robust regression estimators in the presence of heavy-tailed contamination of both the covariates and response functions. In particular, we provide a sharp asymptotic characterisation of M-estimators trained on a family of elliptical covariate and noise data distributions including cases where second and higher moments do not exist. We show that, despite being consistent, the Huber loss with optimally tuned location parameter $\delta$ is suboptimal in the high-dimensional regime in the presence of heavy-tailed noise, highlighting the necessity of further regularisation to achieve optimal performance. This result also uncovers the existence of a transition in $\delta$ as a function of the sample complexity and contamination. Moreover, we derive the decay rates for the excess risk of ridge regression. We show that, while it is both optimal and universal for covariate distributions with finite second moment, its decay rate can be considerably faster when the covariates' second moment does not exist. Finally, we show that our formulas readily generalise to a richer family of models and data distributions, such as generalised linear estimation with arbitrary convex regularisation trained on mixture models.
Compositional Program Generation for Few-Shot Systematic Generalization
Authors: Tim Klinger, Luke Liu, Soham Dan, Maxwell Crouse, Parikshit Ram, Alexander Gray
Date: 2023-09-28 00:00:00
Tasks: Systematic Generalization

Compositional generalization is a key ability of humans that enables us to learn new concepts from only a handful examples. Neural machine learning models, including the now ubiquitous Transformers, struggle to generalize in this way, and typically require thousands of examples of a concept during training in order to generalize meaningfully. This difference in ability between humans and artificial neural architectures, motivates this study on a neuro-symbolic architecture called the Compositional Program Generator (CPG). CPG has three key features: \textit{modularity}, \textit{composition}, and \textit{abstraction}, in the form of grammar rules, that enable it to generalize both systematically to new concepts in a few-shot manner, as well as productively by length on various sequence-to-sequence language tasks. For each input, CPG uses a grammar of the input language and a parser to generate a parse in which each grammar rule is assigned its own unique semantic module, a probabilistic copy or substitution program. Instances with the same parse are always processed with the same composed modules, while those with different parses may be processed with different modules. CPG learns parameters for the modules and is able to learn the semantics for new rules and types incrementally, without forgetting or retraining on rules it's already seen. It achieves perfect generalization on both the SCAN and COGS benchmarks using just 14 examples for SCAN and 22 examples for COGS -- state-of-the-art accuracy with a 1000x improvement in sample efficiency.
A Metaheuristic for Amortized Search in High-Dimensional Parameter Spaces
Authors: Dominic Boutet, Sylvain Baillet
Date: 2023-09-28 00:00:00
Tasks: Bayesian Inference

Parameter inference for dynamical models of (bio)physical systems remains a challenging problem. Intractable gradients, high-dimensional spaces, and non-linear model functions are typically problematic without large computational budgets. A recent body of work in that area has focused on Bayesian inference methods, which consider parameters under their statistical distributions and therefore, do not derive point estimates of optimal parameter values. Here we propose a new metaheuristic that drives dimensionality reductions from feature-informed transformations (DR-FFIT) to address these bottlenecks. DR-FFIT implements an efficient sampling strategy that facilitates a gradient-free parameter search in high-dimensional spaces. We use artificial neural networks to obtain differentiable proxies for the model's features of interest. The resulting gradients enable the estimation of a local active subspace of the model within a defined sampling region. This approach enables efficient dimensionality reductions of highly non-linear search spaces at a low computational cost. Our test data show that DR-FFIT boosts the performances of random-search and simulated-annealing against well-established metaheuristics, and improves the goodness-of-fit of the model, all within contained run-time costs.
SI-SD: Sleep Interpreter through awake-guided cross-subject Semantic Decoding
Authors: Hui Zheng, Zhong-Tao Chen, Hai-Teng Wang, Jian-Yang Zhou, Lin Zheng, Pei-Yang Lin, Yun-Zhe Liu
Date: 2023-09-28 00:00:00
Tasks: Decoder, EEG

Understanding semantic content from brain activity during sleep represents a major goal in neuroscience. While studies in rodents have shown spontaneous neural reactivation of memories during sleep, capturing the semantic content of human sleep poses a significant challenge due to the absence of well-annotated sleep datasets and the substantial differences in neural patterns between wakefulness and sleep. To address these challenges, we designed a novel cognitive neuroscience experiment and collected a comprehensive, well-annotated electroencephalography (EEG) dataset from 134 subjects during both wakefulness and sleep. Leveraging this benchmark dataset, we developed SI-SD that enhances sleep semantic decoding through the position-wise alignment of neural latent sequence between wakefulness and sleep. In the 15-way classification task, our model achieves 24.12% and 21.39% top-1 accuracy on unseen subjects for NREM 2/3 and REM sleep, respectively, surpassing all other baselines. With additional fine-tuning, decoding performance improves to 30.32% and 31.65%, respectively. Besides, inspired by previous neuroscientific findings, we systematically analyze how the "Slow Oscillation" event impacts decoding performance in NREM 2/3 sleep -- decoding performance on unseen subjects further improves to 40.02%. Together, our findings and methodologies contribute to a promising neuro-AI framework for decoding brain activity during sleep.
Resisting Backdoor Attacks in Federated Learning via Bidirectional Elections and Individual Perspective
Authors: Zhen Qin, Feiyi Chen, Chen Zhi, Xueqiang Yan, Shuiguang Deng
Date: 2023-09-28 00:00:00
Tasks: Federated Learning

Existing approaches defend against backdoor attacks in federated learning (FL) mainly through a) mitigating the impact of infected models, or b) excluding infected models. The former negatively impacts model accuracy, while the latter usually relies on globally clear boundaries between benign and infected model updates. However, model updates are easy to be mixed and scattered throughout in reality due to the diverse distributions of local data. This work focuses on excluding infected models in FL. Unlike previous perspectives from a global view, we propose Snowball, a novel anti-backdoor FL framework through bidirectional elections from an individual perspective inspired by one principle deduced by us and two principles in FL and deep learning. It is characterized by a) bottom-up election, where each candidate model update votes to several peer ones such that a few model updates are elected as selectees for aggregation; and b) top-down election, where selectees progressively enlarge themselves through picking up from the candidates. We compare Snowball with state-of-the-art defenses to backdoor attacks in FL on five real-world datasets, demonstrating its superior resistance to backdoor attacks and slight impact on the accuracy of the global model.
On the Trade-offs between Adversarial Robustness and Actionable Explanations
Authors: Satyapriya Krishna, Chirag Agarwal, Himabindu Lakkaraju
Date: 2023-09-28 00:00:00
Tasks: Adversarial Robustness

As machine learning models are increasingly being employed in various high-stakes settings, it becomes important to ensure that predictions of these models are not only adversarially robust, but also readily explainable to relevant stakeholders. However, it is unclear if these two notions can be simultaneously achieved or if there exist trade-offs between them. In this work, we make one of the first attempts at studying the impact of adversarially robust models on actionable explanations which provide end users with a means for recourse. We theoretically and empirically analyze the cost (ease of implementation) and validity (probability of obtaining a positive model prediction) of recourses output by state-of-the-art algorithms when the underlying models are adversarially robust vs. non-robust. More specifically, we derive theoretical bounds on the differences between the cost and the validity of the recourses generated by state-of-the-art algorithms for adversarially robust vs. non-robust linear and non-linear models. Our empirical results with multiple real-world datasets validate our theoretical results and show the impact of varying degrees of model robustness on the cost and validity of the resulting recourses. Our analyses demonstrate that adversarially robust models significantly increase the cost and reduce the validity of the resulting recourses, thus shedding light on the inherent trade-offs between adversarial robustness and actionable explanations.
A parsimonious, computationally efficient machine learning method for spatial regression
Authors: Milan Žukovič, Dionissios T. Hristopulos
Date: 2023-09-28 00:00:00
Tasks: Computational Efficiency, regression, Time Series

We introduce the modified planar rotator method (MPRS), a physically inspired machine learning method for spatial/temporal regression. MPRS is a non-parametric model which incorporates spatial or temporal correlations via short-range, distance-dependent ``interactions'' without assuming a specific form for the underlying probability distribution. Predictions are obtained by means of a fully autonomous learning algorithm which employs equilibrium conditional Monte Carlo simulations. MPRS is able to handle scattered data and arbitrary spatial dimensions. We report tests on various synthetic and real-word data in one, two and three dimensions which demonstrate that the MPRS prediction performance (without parameter tuning) is competitive with standard interpolation methods such as ordinary kriging and inverse distance weighting. In particular, MPRS is a particularly effective gap-filling method for rough and non-Gaussian data (e.g., daily precipitation time series). MPRS shows superior computational efficiency and scalability for large samples. Massive data sets involving millions of nodes can be processed in a few seconds on a standard personal computer.
Nonlinear MPC design for incrementally ISS systems with application to GRU networks
Authors: Fabio Bonassi, Alessio La Bella, Marcello Farina, Riccardo Scattolini
Date: 2023-09-28 00:00:00
Tasks: Model Predictive Control

This brief addresses the design of a Nonlinear Model Predictive Control (NMPC) strategy for exponentially incremental Input-to-State Stable (ISS) systems. In particular, a novel formulation is devised, which does not necessitate the onerous computation of terminal ingredients, but rather relies on the explicit definition of a minimum prediction horizon ensuring closed-loop stability. The designed methodology is particularly suited for the control of systems learned by Recurrent Neural Networks (RNNs), which are known for their enhanced modeling capabilities and for which the incremental ISS properties can be studied thanks to simple algebraic conditions. The approach is applied to Gated Recurrent Unit (GRU) networks, providing also a method for the design of a tailored state observer with convergence guarantees. The resulting control architecture is tested on a benchmark system, demonstrating its good control performances and efficient applicability.
Selective Nonparametric Regression via Testing
Authors: Fedor Noskov, Alexander Fishkov, Maxim Panov
Date: 2023-09-28 00:00:00
Tasks: regression

Prediction with the possibility of abstention (or selective prediction) is an important problem for error-critical machine learning applications. While well-studied in the classification setup, selective approaches to regression are much less developed. In this work, we consider the nonparametric heteroskedastic regression problem and develop an abstention procedure via testing the hypothesis on the value of the conditional variance at a given point. Unlike existing methods, the proposed one allows to account not only for the value of the variance itself but also for the uncertainty of the corresponding variance predictor. We prove non-asymptotic bounds on the risk of the resulting estimator and show the existence of several different convergence regimes. Theoretical analysis is illustrated with a series of experiments on simulated and real-world data.