pwc-archive/papers-with-abstracts huggingface dataset:
Conformal Approach To Gaussian Process Surrogate Evaluation With Coverage Guarantees
Authors: Edgar Jaber, Vincent Blot, Nicolas Brunel, Vincent Chabridon, Emmanuel Remy, Bertrand Iooss, Didier Lucor, Mathilde Mougeot, Alessandro Leite
Date: 2024-01-15 00:00:00
Tasks: Conformal Prediction, Gaussian Processes, Prediction, Prediction Intervals, Uncertainty Quantification

Gaussian processes (GPs) are a Bayesian machine learning approach widely used to construct surrogate models for the uncertainty quantification of computer simulation codes in industrial applications. It provides both a mean predictor and an estimate of the posterior prediction variance, the latter being used to produce Bayesian credibility intervals. Interpreting these intervals relies on the Gaussianity of the simulation model as well as the well-specification of the priors which are not always appropriate. We propose to address this issue with the help of conformal prediction. In the present work, a method for building adaptive cross-conformal prediction intervals is proposed by weighting the non-conformity score with the posterior standard deviation of the GP. The resulting conformal prediction intervals exhibit a level of adaptivity akin to Bayesian credibility sets and display a significant correlation with the surrogate model local approximation error, while being free from the underlying model assumptions and having frequentist coverage guarantees. These estimators can thus be used for evaluating the quality of a GP surrogate model and can assist a decision-maker in the choice of the best prior for the specific application of the GP. The performance of the method is illustrated through a panel of numerical examples based on various reference databases. Moreover, the potential applicability of the method is demonstrated in the context of surrogate modeling of an expensive-to-evaluate simulator of the clogging phenomenon in steam generators of nuclear reactors.
Efficient Nonparametric Tensor Decomposition for Binary and Count Data
Authors: Zerui Tao, Toshihisa Tanaka, Qibin Zhao
Date: 2024-01-15 00:00:00
Tasks: Tensor Decomposition, Variational Inference

In numerous applications, binary reactions or event counts are observed and stored within high-order tensors. Tensor decompositions (TDs) serve as a powerful tool to handle such high-dimensional and sparse data. However, many traditional TDs are explicitly or implicitly designed based on the Gaussian distribution, which is unsuitable for discrete data. Moreover, most TDs rely on predefined multi-linear structures, such as CP and Tucker formats. Therefore, they may not be effective enough to handle complex real-world datasets. To address these issues, we propose ENTED, an \underline{E}fficient \underline{N}onparametric \underline{TE}nsor \underline{D}ecomposition for binary and count tensors. Specifically, we first employ a nonparametric Gaussian process (GP) to replace traditional multi-linear structures. Next, we utilize the \pg augmentation which provides a unified framework to establish conjugate models for binary and count distributions. Finally, to address the computational issue of GPs, we enhance the model by incorporating sparse orthogonal variational inference of inducing points, which offers a more effective covariance approximation within GPs and stochastic natural gradient updates for nonparametric models. We evaluate our model on several real-world tensor completion tasks, considering binary and count datasets. The results manifest both better performance and computational advantages of the proposed model.
Data vs. Model Machine Learning Fairness Testing: An Empirical Study
Authors: Arumoy Shome, Luis Cruz, Arie van Deursen
Date: 2024-01-15 00:00:00
Tasks: Fairness

Although several fairness definitions and bias mitigation techniques exist in the literature, all existing solutions evaluate fairness of Machine Learning (ML) systems after the training stage. In this paper, we take the first steps towards evaluating a more holistic approach by testing for fairness both before and after model training. We evaluate the effectiveness of the proposed approach and position it within the ML development lifecycle, using an empirical analysis of the relationship between model dependent and independent fairness metrics. The study uses 2 fairness metrics, 4 ML algorithms, 5 real-world datasets and 1600 fairness evaluation cycles. We find a linear relationship between data and model fairness metrics when the distribution and the size of the training data changes. Our results indicate that testing for fairness prior to training can be a ``cheap'' and effective means of catching a biased data collection process early; detecting data drifts in production systems and minimising execution of full training cycles thus reducing development time and costs.
Learning to Taste: A Multimodal Wine Dataset
Authors: Thoranna Bender, Simon Moe Sørensen, Alireza Kashani, K. Eldjarn Hjorleifsson, Grethe Hyldig, Søren Hauberg, Serge Belongie, Frederik Warburg
Date: 2023-08-31 00:00:00
Proceeding: NeurIPS 2023 11

We present WineSensed, a large multimodal wine dataset for studying the relations between visual perception, language, and flavor. The dataset encompasses 897k images of wine labels and 824k reviews of wines curated from the Vivino platform. It has over 350k unique bottlings, annotated with year, region, rating, alcohol percentage, price, and grape composition. We obtained fine-grained flavor annotations on a subset by conducting a wine-tasting experiment with 256 participants who were asked to rank wines based on their similarity in flavor, resulting in more than 5k pairwise flavor distances. We propose a low-dimensional concept embedding algorithm that combines human experience with automatic machine similarity kernels. We demonstrate that this shared concept embedding space improves upon separate embedding spaces for coarse flavor classification (alcohol percentage, country, grape, price, rating) and aligns with the intricate human perception of flavor.
Stochastic optimization with arbitrary recurrent data sampling
Authors: William G. Powell, Hanbaek Lyu
Date: 2024-01-15 00:00:00
Tasks: Stochastic Optimization

For obtaining optimal first-order convergence guarantee for stochastic optimization, it is necessary to use a recurrent data sampling algorithm that samples every data point with sufficient frequency. Most commonly used data sampling algorithms (e.g., i.i.d., MCMC, random reshuffling) are indeed recurrent under mild assumptions. In this work, we show that for a particular class of stochastic optimization algorithms, we do not need any other property (e.g., independence, exponential mixing, and reshuffling) than recurrence in data sampling algorithms to guarantee the optimal rate of first-order convergence. Namely, using regularized versions of Minimization by Incremental Surrogate Optimization (MISO), we show that for non-convex and possibly non-smooth objective functions, the expected optimality gap converges at an optimal rate $O(n^{-1/2})$ under general recurrent sampling schemes. Furthermore, the implied constant depends explicitly on the `speed of recurrence', measured by the expected amount of time to visit a given data point either averaged (`target time') or supremized (`hitting time') over the current location. We demonstrate theoretically and empirically that convergence can be accelerated by selecting sampling algorithms that cover the data set most effectively. We discuss applications of our general framework to decentralized optimization and distributed non-negative matrix factorization.
CLSA-CIM: A Cross-Layer Scheduling Approach for Computing-in-Memory Architectures
Authors: Rebecca Pelke, Jose Cubero-Cascante, Nils Bosbach, Felix Staudigl, Rainer Leupers, Jan Moritz Joseph
Date: 2024-01-15 00:00:00
Tasks: Code Generation, Scheduling

The demand for efficient machine learning (ML) accelerators is growing rapidly, driving the development of novel computing concepts such as resistive random access memory (RRAM)-based tiled computing-in-memory (CIM) architectures. CIM allows to compute within the memory unit, resulting in faster data processing and reduced power consumption. Efficient compiler algorithms are essential to exploit the potential of tiled CIM architectures. While conventional ML compilers focus on code generation for CPUs, GPUs, and other von Neumann architectures, adaptations are needed to cover CIM architectures. Cross-layer scheduling is a promising approach, as it enhances the utilization of CIM cores, thereby accelerating computations. Although similar concepts are implicitly used in previous work, there is a lack of clear and quantifiable algorithmic definitions for cross-layer scheduling for tiled CIM architectures. To close this gap, we present CLSA-CIM, a cross-layer scheduling algorithm for tiled CIM architectures. We integrate CLSA-CIM with existing weight-mapping strategies and compare performance against state-of-the-art (SOTA) scheduling algorithms. CLSA-CIM improves the utilization by up to 17.9 x , resulting in an overall speedup increase of up to 29.2 x compared to SOTA.
A Smooth Binary Mechanism for Efficient Private Continual Observation
Authors: Joel Daniel Andersson, Rasmus Pagh
Date: 2023-06-16 00:00:00
Proceeding: NeurIPS 2023 11

In privacy under continual observation we study how to release differentially private estimates based on a dataset that evolves over time. The problem of releasing private prefix sums of $x_1,x_2,x_3,\dots \in\{0,1\}$ (where the value of each $x_i$ is to be private) is particularly well-studied, and a generalized form is used in state-of-the-art methods for private stochastic gradient descent (SGD). The seminal binary mechanism privately releases the first $t$ prefix sums with noise of variance polylogarithmic in $t$. Recently, Henzinger et al. and Denisov et al. showed that it is possible to improve on the binary mechanism in two ways: The variance of the noise can be reduced by a (large) constant factor, and also made more even across time steps. However, their algorithms for generating the noise distribution are not as efficient as one would like in terms of computation time and (in particular) space. We address the efficiency problem by presenting a simple alternative to the binary mechanism in which 1) generating the noise takes constant average time per value, 2) the variance is reduced by a factor about 4 compared to the binary mechanism, and 3) the noise distribution at each step is identical. Empirically, a simple Python implementation of our approach outperforms the running time of the approach of Henzinger et al., as well as an attempt to improve their algorithm using high-performance algorithms for multiplication with Toeplitz matrices.
Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs
Authors: Xiuyuan Hu, Guoqing Liu, Yang Zhao, Hao Zhang
Date: 2024-01-15 00:00:00
Tasks: Drug Design, Drug Discovery

AI for drug discovery has been a research hotspot in recent years, and SMILES-based language models has been increasingly applied in drug molecular design. However, no work has explored whether and how language models understand the chemical spatial structure from 1D sequences. In this work, we pre-train a transformer model on chemical language and fine-tune it toward drug design objectives, and investigate the correspondence between high-frequency SMILES substrings and molecular fragments. The results indicate that language models can understand chemical structures from the perspective of molecular fragments, and the structural knowledge learned through fine-tuning is reflected in the high-frequency SMILES substrings generated by the model.
Multifractal-spectral features enhance classification of anomalous diffusion
Authors: Henrik Seckler, Ralf Metzler, Damian G. Kelty-Stephen, Madhur Mangalam
Date: 2024-01-15 00:00:00
Tasks: Classification

Anomalous diffusion processes pose a unique challenge in classification and characterization. Previously (Mangalam et al., 2023, Physical Review Research 5, 023144), we established a framework for understanding anomalous diffusion using multifractal formalism. The present study delves into the potential of multifractal spectral features for effectively distinguishing anomalous diffusion trajectories from five widely used models: fractional Brownian motion, scaled Brownian motion, continuous time random walk, annealed transient time motion, and L\'evy walk. To accomplish this, we generate extensive datasets comprising $10^6$ trajectories from these five anomalous diffusion models and extract multiple multifractal spectra from each trajectory. Our investigation entails a thorough analysis of neural network performance, encompassing features derived from varying numbers of spectra. Furthermore, we explore the integration of multifractal spectra into traditional feature datasets, enabling us to assess their impact comprehensively. To ensure a statistically meaningful comparison, we categorize features into concept groups and train neural networks using features from each designated group. Notably, several feature groups demonstrate similar levels of accuracy, with the highest performance observed in groups utilizing moving-window characteristics and $p$-variation features. Multifractal spectral features, particularly those derived from three spectra involving different timescales and cutoffs, closely follow, highlighting their robust discriminatory potential. Remarkably, a neural network exclusively trained on features from a single multifractal spectrum exhibits commendable performance, surpassing other feature groups. Our findings underscore the diverse and potent efficacy of multifractal spectral features in enhancing classification of anomalous diffusion.
Compute-Efficient Active Learning
Authors: Gábor Németh, Tamás Matuszka
Date: 2024-01-15 00:00:00
Proceeding: NeurIPS Workshop ReALML 2023 12
Tasks: Active Learning

Active learning, a powerful paradigm in machine learning, aims at reducing labeling costs by selecting the most informative samples from an unlabeled dataset. However, the traditional active learning process often demands extensive computational resources, hindering scalability and efficiency. In this paper, we address this critical issue by presenting a novel method designed to alleviate the computational burden associated with active learning on massive datasets. To achieve this goal, we introduce a simple, yet effective method-agnostic framework that outlines how to strategically choose and annotate data points, optimizing the process for efficiency while maintaining model performance. Through case studies, we demonstrate the effectiveness of our proposed method in reducing computational costs while maintaining or, in some cases, even surpassing baseline model outcomes. Code is available at https://github.com/aimotive/Compute-Efficient-Active-Learning.
Cost-sensitive Feature Selection for Support Vector Machines
Authors: Sandra Benítez-Peña, Rafael Blanquero, Emilio Carrizosa, Pepa Ramírez-Cobo
Date: 2024-01-15 00:00:00
Tasks: Classification, feature selection

Feature Selection is a crucial procedure in Data Science tasks such as Classification, since it identifies the relevant variables, making thus the classification procedures more interpretable, cheaper in terms of measurement and more effective by reducing noise and data overfit. The relevance of features in a classification procedure is linked to the fact that misclassifications costs are frequently asymmetric, since false positive and false negative cases may have very different consequences. However, off-the-shelf Feature Selection procedures seldom take into account such cost-sensitivity of errors. In this paper we propose a mathematical-optimization-based Feature Selection procedure embedded in one of the most popular classification procedures, namely, Support Vector Machines, accommodating asymmetric misclassification costs. The key idea is to replace the traditional margin maximization by minimizing the number of features selected, but imposing upper bounds on the false positive and negative rates. The problem is written as an integer linear problem plus a quadratic convex problem for Support Vector Machines with both linear and radial kernels. The reported numerical experience demonstrates the usefulness of the proposed Feature Selection procedure. Indeed, our results on benchmark data sets show that a substantial decrease of the number of features is obtained, whilst the desired trade-off between false positive and false negative rates is achieved.
RedEx: Beyond Fixed Representation Methods via Convex Optimization
Authors: Amit Daniely, Mariano Schain, Gilad Yehudai
Date: 2024-01-15 00:00:00

Optimizing Neural networks is a difficult task which is still not well understood. On the other hand, fixed representation methods such as kernels and random features have provable optimization guarantees but inferior performance due to their inherent inability to learn the representations. In this paper, we aim at bridging this gap by presenting a novel architecture called RedEx (Reduced Expander Extractor) that is as expressive as neural networks and can also be trained in a layer-wise fashion via a convex program with semi-definite constraints and optimization guarantees. We also show that RedEx provably surpasses fixed representation methods, in the sense that it can efficiently learn a family of target functions which fixed representation methods cannot.
Data Assimilation using ERA5, ASOS, and the U-STN model for Weather Forecasting over the UK
Authors: Wenqi Wang, Jacob Bieker, Rossella Arcucci, César Quilodrán-Casas
Date: 2024-01-15 00:00:00
Tasks: Weather Forecasting

In recent years, the convergence of data-driven machine learning models with Data Assimilation (DA) offers a promising avenue for enhancing weather forecasting. This study delves into this emerging trend, presenting our methodologies and outcomes. We harnessed the UK's local ERA5 850 hPa temperature data and refined the U-STN12 global weather forecasting model, tailoring its predictions to the UK's climate nuances. From the ASOS network, we sourced T2m data, representing ground observations across the UK. We employed the advanced kriging method with a polynomial drift term for consistent spatial resolution. Furthermore, Gaussian noise was superimposed on the ERA5 T850 data, setting the stage for ensuing multi-time step synthetic observations. Probing into the assimilation impacts, the ASOS T2m data was integrated with the ERA5 T850 dataset. Our insights reveal that while global forecast models can adapt to specific regions, incorporating atmospheric data in DA significantly bolsters model accuracy. Conversely, the direct assimilation of surface temperature data tends to mitigate this enhancement, tempering the model's predictive prowess.
Confounded Budgeted Causal Bandits
Authors: Fateme Jamshidi, Jalal Etesami, Negar Kiyavash
Date: 2024-01-15 00:00:00

We study the problem of learning 'good' interventions in a stochastic environment modeled by its underlying causal graph. Good interventions refer to interventions that maximize rewards. Specifically, we consider the setting of a pre-specified budget constraint, where interventions can have non-uniform costs. We show that this problem can be formulated as maximizing the expected reward for a stochastic multi-armed bandit with side information. We propose an algorithm to minimize the cumulative regret in general causal graphs. This algorithm trades off observations and interventions based on their costs to achieve the optimal reward. This algorithm generalizes the state-of-the-art methods by allowing non-uniform costs and hidden confounders in the causal graph. Furthermore, we develop an algorithm to minimize the simple regret in the budgeted setting with non-uniform costs and also general causal graphs. We provide theoretical guarantees, including both upper and lower bounds, as well as empirical evaluations of our algorithms. Our empirical results showcase that our algorithms outperform the state of the art.
Cascaded Cross-Modal Transformer for Audio-Textual Classification
Authors: Nicolae-Catalin Ristea, Andrei Anghel, Radu Tudor Ionescu
Date: 2024-01-15 00:00:00
Tasks: Automatic Speech Recognition, Automatic Speech Recognition (ASR), Classification, speech-recognition, Speech Recognition

Speech classification tasks often require powerful language understanding models to grasp useful features, which becomes problematic when limited training data is available. To attain superior classification performance, we propose to harness the inherent value of multimodal representations by transcribing speech using automatic speech recognition (ASR) models and translating the transcripts into different languages via pretrained translation models. We thus obtain an audio-textual (multimodal) representation for each data sample. Subsequently, we combine language-specific Bidirectional Encoder Representations from Transformers (BERT) with Wav2Vec2.0 audio features via a novel cascaded cross-modal transformer (CCMT). Our model is based on two cascaded transformer blocks. The first one combines text-specific features from distinct languages, while the second one combines acoustic features with multilingual features previously learned by the first transformer block. We employed our system in the Requests Sub-Challenge of the ACM Multimedia 2023 Computational Paralinguistics Challenge. CCMT was declared the winning solution, obtaining an unweighted average recall (UAR) of 65.41% and 85.87% for complaint and request detection, respectively. Moreover, we applied our framework on the Speech Commands v2 and HarperValleyBank dialog data sets, surpassing previous studies reporting results on these benchmarks. Our code is freely available for download at: https://github.com/ristea/ccmt.
FedRFQ: Prototype-Based Federated Learning with Reduced Redundancy, Minimal Failure, and Enhanced Quality
Authors: Biwei Yan, Hongliang Zhang, Minghui Xu, Dongxiao Yu, Xiuzhen Cheng
Date: 2024-01-15 00:00:00
Tasks: Federated Learning

Federated learning is a powerful technique that enables collaborative learning among different clients. Prototype-based federated learning is a specific approach that improves the performance of local models under non-IID (non-Independently and Identically Distributed) settings by integrating class prototypes. However, prototype-based federated learning faces several challenges, such as prototype redundancy and prototype failure, which limit its accuracy. It is also susceptible to poisoning attacks and server malfunctions, which can degrade the prototype quality. To address these issues, we propose FedRFQ, a prototype-based federated learning approach that aims to reduce redundancy, minimize failures, and improve \underline{q}uality. FedRFQ leverages a SoftPool mechanism, which effectively mitigates prototype redundancy and prototype failure on non-IID data. Furthermore, we introduce the BFT-detect, a BFT (Byzantine Fault Tolerance) detectable aggregation algorithm, to ensure the security of FedRFQ against poisoning attacks and server malfunctions. Finally, we conduct experiments on three different datasets, namely MNIST, FEMNIST, and CIFAR-10, and the results demonstrate that FedRFQ outperforms existing baselines in terms of accuracy when handling non-IID data.