pwc-archive/papers-with-abstracts huggingface dataset:
Adversarial Attacks on Data Attribution
Authors: Xinhe Wang, Pingbang Hu, Junwei Deng, Jiaqi W. Ma
Date: 2024-09-09 00:00:00
Tasks: Adversarial Attack, Adversarial Robustness, image-classification, Image Classification, Inductive Bias, Text Generation

Data attribution aims to quantify the contribution of individual training data points to the outputs of an AI model, which has been used to measure the value of training data and compensate data providers. Given the impact on financial decisions and compensation mechanisms, a critical question arises concerning the adversarial robustness of data attribution methods. However, there has been little to no systematic research addressing this issue. In this work, we aim to bridge this gap by detailing a threat model with clear assumptions about the adversary's goal and capabilities and proposing principled adversarial attack methods on data attribution. We present two methods, Shadow Attack and Outlier Attack, which generate manipulated datasets to inflate the compensation adversarially. The Shadow Attack leverages knowledge about the data distribution in the AI applications, and derives adversarial perturbations through "shadow training", a technique commonly used in membership inference attacks. In contrast, the Outlier Attack does not assume any knowledge about the data distribution and relies solely on black-box queries to the target model's predictions. It exploits an inductive bias present in many data attribution methods - outlier data points are more likely to be influential - and employs adversarial examples to generate manipulated datasets. Empirically, in image classification and text generation tasks, the Shadow Attack can inflate the data-attribution-based compensation by at least 200%, while the Outlier Attack achieves compensation inflation ranging from 185% to as much as 643%. Our implementation is ready at https://github.com/TRAIS-Lab/adversarial-attack-data-attribution.
Optimal Projections for Classification with Naive Bayes
Authors: David P. Hofmeyr, Francois Kamper, Michail M. Melonas
Date: 2024-09-09 00:00:00
Tasks: Classification, Dimensionality Reduction

In the Naive Bayes classification model the class conditional densities are estimated as the products of their marginal densities along the cardinal basis directions. We study the problem of obtaining an alternative basis for this factorisation with the objective of enhancing the discriminatory power of the associated classification model. We formulate the problem as a projection pursuit to find the optimal linear projection on which to perform classification. Optimality is determined based on the multinomial likelihood within which probabilities are estimated using the Naive Bayes factorisation of the projected data. Projection pursuit offers the added benefits of dimension reduction and visualisation. We discuss an intuitive connection with class conditional independent components analysis, and show how this is realised visually in practical applications. The performance of the resulting classification models is investigated using a large collection of (162) publicly available benchmark data sets and in comparison with relevant alternatives. We find that the proposed approach substantially outperforms other popular probabilistic discriminant analysis models and is highly competitive with Support Vector Machines.
Forward KL Regularized Preference Optimization for Aligning Diffusion Policies
Authors: Zhao Shan, Chenyou Fan, Shuang Qiu, Jiyuan Shi, Chenjia Bai
Date: 2024-09-09 00:00:00
Tasks: D4RL, Decision Making, Reinforcement Learning (RL), Sequential Decision Making

Diffusion models have achieved remarkable success in sequential decision-making by leveraging the highly expressive model capabilities in policy learning. A central problem for learning diffusion policies is to align the policy output with human intents in various tasks. To achieve this, previous methods conduct return-conditioned policy generation or Reinforcement Learning (RL)-based policy optimization, while they both rely on pre-defined reward functions. In this work, we propose a novel framework, Forward KL regularized Preference optimization for aligning Diffusion policies, to align the diffusion policy with preferences directly. We first train a diffusion policy from the offline dataset without considering the preference, and then align the policy to the preference data via direct preference optimization. During the alignment phase, we formulate direct preference learning in a diffusion policy, where the forward KL regularization is employed in preference optimization to avoid generating out-of-distribution actions. We conduct extensive experiments for MetaWorld manipulation and D4RL tasks. The results show our method exhibits superior alignment with preferences and outperforms previous state-of-the-art algorithms.
Normalizing Energy Consumption for Hardware-Independent Evaluation
Authors: Constance Douwes, Romain Serizel
Date: 2024-09-09 00:00:00
Tasks: Audio Tagging

The increasing use of machine learning (ML) models in signal processing has raised concerns about their environmental impact, particularly during resource-intensive training phases. In this study, we present a novel methodology for normalizing energy consumption across different hardware platforms to facilitate fair and consistent comparisons. We evaluate different normalization strategies by measuring the energy used to train different ML architectures on different GPUs, focusing on audio tagging tasks. Our approach shows that the number of reference points, the type of regression and the inclusion of computational metrics significantly influences the normalization process. We find that the appropriate selection of two reference points provides robust normalization, while incorporating the number of floating-point operations and parameters improves the accuracy of energy consumption predictions. By supporting more accurate energy consumption evaluation, our methodology promotes the development of environmentally sustainable ML practices.
When resampling/reweighting improves feature learning in imbalanced classification?: A toy-model study
Authors: Tomoyuki Obuchi, Toshiyuki Tanaka
Date: 2024-09-09 00:00:00
Tasks: Binary Classification, imbalanced classification

A toy model of binary classification is studied with the aim of clarifying the class-wise resampling/reweighting effect on the feature learning performance under the presence of class imbalance. In the analysis, a high-dimensional limit of the input space is taken while keeping the ratio of the dataset size against the input dimension finite and the non-rigorous replica method from statistical mechanics is employed. The result shows that there exists a case in which the no resampling/reweighting situation gives the best feature learning performance irrespectively of the choice of losses or classifiers, supporting recent findings in Cao et al. (2019); Kang et al. (2019). It is also revealed that the key of the result is the symmetry of the loss and the problem setting. Inspired by this, we propose a further simplified model exhibiting the same property in the multiclass setting. These clarify when the class-wise resampling/reweighting becomes effective in imbalanced classification.
Approximation Bounds for Recurrent Neural Networks with Application to Regression
Authors: Yuling Jiao, Yang Wang, Bokai Yan
Date: 2024-09-09 00:00:00
Tasks: regression

We study the approximation capacity of deep ReLU recurrent neural networks (RNNs) and explore the convergence properties of nonparametric least squares regression using RNNs. We derive upper bounds on the approximation error of RNNs for H\"older smooth functions, in the sense that the output at each time step of an RNN can approximate a H\"older function that depends only on past and current information, termed a past-dependent function. This allows a carefully constructed RNN to simultaneously approximate a sequence of past-dependent H\"older functions. We apply these approximation results to derive non-asymptotic upper bounds for the prediction error of the empirical risk minimizer in regression problem. Our error bounds achieve minimax optimal rate under both exponentially $\beta$-mixing and i.i.d. data assumptions, improving upon existing ones. Our results provide statistical guarantees on the performance of RNNs.
CoBo: Collaborative Learning via Bilevel Optimization
Authors: Diba Hashemi, Lie He, Martin Jaggi
Date: 2024-09-09 00:00:00
Tasks: Bilevel Optimization

Collaborative learning is an important tool to train multiple clients more effectively by enabling communication among clients. Identifying helpful clients, however, presents challenging and often introduces significant overhead. In this paper, we model client-selection and model-training as two interconnected optimization problems, proposing a novel bilevel optimization problem for collaborative learning. We introduce CoBo, a scalable and elastic, SGD-type alternating optimization algorithm that efficiently addresses these problem with theoretical convergence guarantees. Empirically, CoBo achieves superior performance, surpassing popular personalization algorithms by 9.3% in accuracy on a task with high heterogeneity, involving datasets distributed among 80 clients.
Interpolation, Extrapolation, Hyperpolation: Generalising into new dimensions
Authors: Toby Ord
Date: 2024-09-09 00:00:00

This paper introduces the concept of hyperpolation: a way of generalising from a limited set of data points that is a peer to the more familiar concepts of interpolation and extrapolation. Hyperpolation is the task of estimating the value of a function at new locations that lie outside the subspace (or manifold) of the existing data. We shall see that hyperpolation is possible and explore its links to creativity in the arts and sciences. We will also examine the role of hyperpolation in machine learning and suggest that the lack of fundamental creativity in current AI systems is deeply connected to their limited ability to hyperpolate.
A general reduced-order neural operator for spatio-temporal predictive learning on complex spatial domains
Authors: Qinglu Meng, Yingguang Li, Zhiliang Deng, Xu Liu, Gengxiang Chen, Qiutong Wu, Changqing Liu, Xiaozhong Hao
Date: 2024-09-09 00:00:00
Tasks: Decoder

Predictive learning for spatio-temporal processes (PL-STP) on complex spatial domains plays a critical role in various scientific and engineering fields, with its essence being the construction of operators between infinite-dimensional function spaces. This paper focuses on the unequal-domain mappings in PL-STP and categorising them into increase-domain and decrease-domain mapping. Recent advances in deep learning have revealed the great potential of neural operators (NOs) to learn operators directly from observational data. However, existing NOs require input space and output space to be the same domain, which pose challenges in ensuring predictive accuracy and stability for unequal-domain mappings. To this end, this study presents a general reduced-order neural operator named Reduced-Order Neural Operator on Riemannian Manifolds (RO-NORM), which consists of two parts: the unequal-domain encoder/decoder and the same-domain approximator. Motivated by the variable separation in classical modal decomposition, the unequal-domain encoder/decoder uses the pre-computed bases to reformulate the spatio-temporal function as a sum of products between spatial (or temporal) bases and corresponding temporally (or spatially) distributed weight functions, thus the original unequal-domain mapping can be converted into a same-domain mapping. Consequently, the same-domain approximator NORM is applied to model the transformed mapping. The performance of our proposed method has been evaluated on six benchmark cases, including parametric PDEs, engineering and biomedical applications, and compared with four baseline algorithms: DeepONet, POD-DeepONet, PCA-Net, and vanilla NORM. The experimental results demonstrate the superiority of RO-NORM in prediction accuracy and training efficiency for PL-STP.
Optimizing VarLiNGAM for Scalable and Efficient Time Series Causal Discovery
Authors: Ziyang Jiao, Ce Guo, Wayne Luk
Date: 2024-09-09 00:00:00
Tasks: Causal Discovery, GPU, Time Series

Causal discovery identifies causal relationships in data, but the task is more complex for multivariate time series due to the computational demands of methods like VarLiNGAM, which combines a Vector Autoregressive Model with a Linear Non-Gaussian Acyclic Model. This study optimizes causal discovery specifically for time series data, which are common in practical applications. Time series causal discovery is particularly challenging because of temporal dependencies and potential time lag effects. By developing a specialized dataset generator and reducing the computational complexity of the VarLiNGAM model from \( O(m^3 \cdot n) \) to \( O(m^3 + m^2 \cdot n) \), this study enhances the feasibility of processing large datasets. The proposed methods were validated on advanced computational platforms and tested on simulated, real-world, and large-scale datasets, demonstrating improved efficiency and performance. The optimized algorithm achieved 7 to 13 times speedup compared to the original and about 4.5 times speedup compared to the GPU-accelerated version on large-scale datasets with feature sizes from 200 to 400. Our methods extend current causal discovery capabilities, making them more robust, scalable, and applicable to real-world scenarios, facilitating advancements in fields like healthcare and finance.
Advancing Machine Learning for Stellar Activity and Exoplanet Period Rotation
Authors: Fatemeh Fazel Hesar, Bernard Foing, Ana M. Heras, Mojtaba Raouf, Victoria Foing, Shima Javanmardi, Fons J. Verbeek
Date: 2024-09-09 00:00:00

This study applied machine learning models to estimate stellar rotation periods from corrected light curve data obtained by the NASA Kepler mission. Traditional methods often struggle to estimate rotation periods accurately due to noise and variability in the light curve data. The workflow involved using initial period estimates from the LS-Periodogram and Transit Least Squares techniques, followed by splitting the data into training, validation, and testing sets. We employed several machine learning algorithms, including Decision Tree, Random Forest, K-Nearest Neighbors, and Gradient Boosting, and also utilized a Voting Ensemble approach to improve prediction accuracy and robustness. The analysis included data from multiple Kepler IDs, providing detailed metrics on orbital periods and planet radii. Performance evaluation showed that the Voting Ensemble model yielded the most accurate results, with an RMSE approximately 50\% lower than the Decision Tree model and 17\% better than the K-Nearest Neighbors model. The Random Forest model performed comparably to the Voting Ensemble, indicating high accuracy. In contrast, the Gradient Boosting model exhibited a worse RMSE compared to the other approaches. Comparisons of the predicted rotation periods to the photometric reference periods showed close alignment, suggesting the machine learning models achieved high prediction accuracy. The results indicate that machine learning, particularly ensemble methods, can effectively solve the problem of accurately estimating stellar rotation periods, with significant implications for advancing the study of exoplanets and stellar astrophysics.
Retrofitting Temporal Graph Neural Networks with Transformer
Authors: Qiang Huang, Xiao Yan, Xin Wang, Susie Xi Rao, Zhichao Han, Fangcheng Fu, Wentao Zhang, Jiawei Jiang
Date: 2024-09-09 00:00:00
Tasks: Graph Attention, Graph Sampling, Language Modeling, Language Modelling

Temporal graph neural networks (TGNNs) outperform regular GNNs by incorporating time information into graph-based operations. However, TGNNs adopt specialized models (e.g., TGN, TGAT, and APAN ) and require tailored training frameworks (e.g., TGL and ETC). In this paper, we propose TF-TGN, which uses Transformer decoder as the backbone model for TGNN to enjoy Transformer's codebase for efficient training. In particular, Transformer achieves tremendous success for language modeling, and thus the community developed high-performance kernels (e.g., flash-attention and memory-efficient attention) and efficient distributed training schemes (e.g., PyTorch FSDP, DeepSpeed, and Megatron-LM). We observe that TGNN resembles language modeling, i.e., the message aggregation operation between chronologically occurring nodes and their temporal neighbors in TGNNs can be structured as sequence modeling. Beside this similarity, we also incorporate a series of algorithm designs including suffix infilling, temporal graph attention with self-loop, and causal masking self-attention to make TF-TGN work. During training, existing systems are slow in transforming the graph topology and conducting graph sampling. As such, we propose methods to parallelize the CSR format conversion and graph sampling. We also adapt Transformer codebase to train TF-TGN efficiently with multiple GPUs. We experiment with 9 graphs and compare with 2 state-of-the-art TGNN training frameworks. The results show that TF-TGN can accelerate training by over 2.20 while providing comparable or even superior accuracy to existing SOTA TGNNs. TF-TGN is available at https://github.com/qianghuangwhu/TF-TGN.
Reinforcement Learning for Variational Quantum Circuits Design
Authors: Simone Foderà, Gloria Turati, Riccardo Nembrini, Maurizio Ferrari Dacrema, Paolo Cremonesi
Date: 2024-09-09 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

Variational Quantum Algorithms have emerged as promising tools for solving optimization problems on quantum computers. These algorithms leverage a parametric quantum circuit called ansatz, where its parameters are adjusted by a classical optimizer with the goal of optimizing a certain cost function. However, a significant challenge lies in designing effective circuits for addressing specific problems. In this study, we leverage the powerful and flexible Reinforcement Learning paradigm to train an agent capable of autonomously generating quantum circuits that can be used as ansatzes in variational algorithms to solve optimization problems. The agent is trained on diverse problem instances, including Maximum Cut, Maximum Clique and Minimum Vertex Cover, built from different graph topologies and sizes. Our analysis of the circuits generated by the agent and the corresponding solutions shows that the proposed method is able to generate effective ansatzes. While our goal is not to propose any new specific ansatz, we observe how the agent has discovered a novel family of ansatzes effective for Maximum Cut problems, which we call $R_{yz}$-connected. We study the characteristics of one of these ansatzes by comparing it against state-of-the-art quantum algorithms across instances of varying graph topologies, sizes, and problem types. Our results indicate that the $R_{yz}$-connected circuit achieves high approximation ratios for Maximum Cut problems, further validating our proposed agent. In conclusion, our study highlights the potential of Reinforcement Learning techniques in assisting researchers to design effective quantum circuits which could have applications in a wide number of tasks.
Beyond Flatland: A Geometric Take on Matching Methods for Treatment Effect Estimation
Authors: Melanie F. Pradier, Javier González
Date: 2024-09-09 00:00:00
Tasks: Causal Inference

Matching is a popular approach in causal inference to estimate treatment effects by pairing treated and control units that are most similar in terms of their covariate information. However, classic matching methods completely ignore the geometry of the data manifold, which is crucial to define a meaningful distance for matching, and struggle when covariates are noisy and high-dimensional. In this work, we propose GeoMatching, a matching method to estimate treatment effects that takes into account the intrinsic data geometry induced by existing causal mechanisms among the confounding variables. First, we learn a low-dimensional, latent Riemannian manifold that accounts for uncertainty and geometry of the original input data. Second, we estimate treatment effects via matching in the latent space based on the learned latent Riemannian metric. We provide theoretical insights and empirical results in synthetic and real-world scenarios, demonstrating that GeoMatching yields more effective treatment effect estimators, even as we increase input dimensionality, in the presence of outliers, or in semi-supervised scenarios.
Attention Based Machine Learning Methods for Data Reduction with Guaranteed Error Bounds
Authors: Xiao Li, Jaemoon Lee, Anand Rangarajan, Sanjay Ranka
Date: 2024-09-09 00:00:00
Tasks: Data Compression

Scientific applications in fields such as high energy physics, computational fluid dynamics, and climate science generate vast amounts of data at high velocities. This exponential growth in data production is surpassing the advancements in computing power, network capabilities, and storage capacities. To address this challenge, data compression or reduction techniques are crucial. These scientific datasets have underlying data structures that consist of structured and block structured multidimensional meshes where each grid point corresponds to a tensor. It is important that data reduction techniques leverage strong spatial and temporal correlations that are ubiquitous in these applications. Additionally, applications such as CFD, process tensors comprising hundred plus species and their attributes at each grid point. Reduction techniques should be able to leverage interrelationships between the elements in each tensor. In this paper, we propose an attention-based hierarchical compression method utilizing a block-wise compression setup. We introduce an attention-based hyper-block autoencoder to capture inter-block correlations, followed by a block-wise encoder to capture block-specific information. A PCA-based post-processing step is employed to guarantee error bounds for each data block. Our method effectively captures both spatiotemporal and inter-variable correlations within and between data blocks. Compared to the state-of-the-art SZ3, our method achieves up to 8 times higher compression ratio on the multi-variable S3D dataset. When evaluated on single-variable setups using the E3SM and XGC datasets, our method still achieves up to 3 times and 2 times higher compression ratio, respectively.