pwc-archive/papers-with-abstracts huggingface dataset:
What Determines the Price of NFTs?
Authors: Vivian Ziemke, Benjamin Estermann, Roger Wattenhofer, Ye Wang
Date: 2023-10-03 00:00:00

In the evolving landscape of digital art, Non-Fungible Tokens (NFTs) have emerged as a groundbreaking platform, bridging the realms of art and technology. NFTs serve as the foundational framework that has revolutionized the market for digital art, enabling artists to showcase and monetize their creations in unprecedented ways. NFTs combine metadata stored on the blockchain with off-chain data, such as images, to create a novel form of digital ownership. It is not fully understood how these factors come together to determine NFT prices. In this study, we analyze both on-chain and off-chain data of NFT collections trading on OpenSea to understand what influences NFT pricing. Our results show that while text and image data of the NFTs can be used to explain price variations within collections, the extracted features do not generalize to new, unseen collections. Furthermore, we find that an NFT collection's trading volume often relates to its online presence, like social media followers and website traffic.
Simulation-based Inference with the Generalized Kullback-Leibler Divergence
Authors: Benjamin Kurt Miller, Marco Federici, Christoph Weniger, Patrick Forré
Date: 2023-10-03 00:00:00

In Simulation-based Inference, the goal is to solve the inverse problem when the likelihood is only known implicitly. Neural Posterior Estimation commonly fits a normalized density estimator as a surrogate model for the posterior. This formulation cannot easily fit unnormalized surrogates because it optimizes the Kullback-Leibler divergence. We propose to optimize a generalized Kullback-Leibler divergence that accounts for the normalization constant in unnormalized distributions. The objective recovers Neural Posterior Estimation when the model class is normalized and unifies it with Neural Ratio Estimation, combining both into a single objective. We investigate a hybrid model that offers the best of both worlds by learning a normalized base distribution and a learned ratio. We also present benchmark results.
Asymmetric Momentum: A Rethinking of Gradient Descent
Authors: Gongyue Zhang, Dinghuang Zhang, Shuwen Zhao, Donghan Liu, Carrie M. Toptan, Honghai Liu
Date: 2023-09-05 00:00:00
Tasks: Specificity

Through theoretical and experimental validation, unlike all existing adaptive methods like Adam which penalize frequently-changing parameters and are only applicable to sparse gradients, we propose the simplest SGD enhanced method, Loss-Controlled Asymmetric Momentum(LCAM). By averaging the loss, we divide training process into different loss phases and using different momentum. It not only can accelerates slow-changing parameters for sparse gradients, similar to adaptive optimizers, but also can choose to accelerates frequently-changing parameters for non-sparse gradients, thus being adaptable to all types of datasets. We reinterpret the machine learning training process through the concepts of weight coupling and weight traction, and experimentally validate that weights have directional specificity, which are correlated with the specificity of the dataset. Thus interestingly, we observe that in non-sparse gradients, frequently-changing parameters should actually be accelerated, which is completely opposite to traditional adaptive perspectives. Compared to traditional SGD with momentum, this algorithm separates the weights without additional computational costs. It is noteworthy that this method relies on the network's ability to extract complex features. We primarily use Wide Residual Networks for our research, employing the classic datasets Cifar10 and Cifar100 to test the ability for feature separation and conclude phenomena that are much more important than just accuracy rates. Finally, compared to classic SGD tuning methods, while using WRN on these two datasets and with nearly half the training epochs, we achieve equal or better test accuracy.
GNNX-BENCH: Unravelling the Utility of Perturbation-based GNN Explainers through In-depth Benchmarking
Authors: Mert Kosan, Samidha Verma, Burouj Armgaan, Khushbu Pahwa, Ambuj Singh, Sourav Medya, Sayan Ranu
Date: 2023-10-03 00:00:00
Tasks: Benchmarking, counterfactual

Numerous explainability methods have been proposed to shed light on the inner workings of GNNs. Despite the inclusion of empirical evaluations in all the proposed algorithms, the interrogative aspects of these evaluations lack diversity. As a result, various facets of explainability pertaining to GNNs, such as a comparative analysis of counterfactual reasoners, their stability to variational factors such as different GNN architectures, noise, stochasticity in non-convex loss surfaces, feasibility amidst domain constraints, and so forth, have yet to be formally investigated. Motivated by this need, we present a benchmarking study on perturbation-based explainability methods for GNNs, aiming to systematically evaluate and compare a wide range of explainability techniques. Among the key findings of our study, we identify the Pareto-optimal methods that exhibit superior efficacy and stability in the presence of noise. Nonetheless, our study reveals that all algorithms are affected by stability issues when faced with noisy data. Furthermore, we have established that the current generation of counterfactual explainers often fails to provide feasible recourses due to violations of topological constraints encoded by domain-specific considerations. Overall, this benchmarking study empowers stakeholders in the field of GNNs with a comprehensive understanding of the state-of-the-art explainability methods, potential research problems for further enhancement, and the implications of their application in real-world scenarios.
SEA: Sparse Linear Attention with Estimated Attention Mask
Authors: Heejun Lee, Jina Kim, Jeffrey Willette, Sung Ju Hwang
Date: 2023-10-03 00:00:00
Tasks: Knowledge Distillation, Language Modeling, Language Modelling, Natural Language Understanding

The transformer architecture has driven breakthroughs in recent years on tasks which require modeling pairwise relationships between sequential elements, as is the case in natural language understanding. However, long seqeuences pose a problem due to the quadratic complexity of the attention operation. Previous research has aimed to lower the complexity by sparsifying or linearly approximating the attention matrix. Yet, these approaches cannot straightforwardly distill knowledge from a teacher's attention matrix and often require complete retraining from scratch. Furthermore, previous sparse and linear approaches lose interpretability if they cannot produce full attention matrices. To address these challenges, we propose SEA: Sparse linear attention with an Estimated Attention mask. SEA estimates the attention matrix with linear complexity via kernel-based linear attention, then subsequently creates a sparse attention matrix with a top-k selection to perform a sparse attention operation. For language modeling tasks (Wikitext2), previous linear and sparse attention methods show roughly two-fold worse perplexity scores over the quadratic OPT-1.3B baseline, while SEA achieves better perplexity than OPT-1.3B, using roughly half the memory of OPT-1.3B, providing interpretable attention matrix. We believe that our work will have a large practical impact, as it opens the possibility of running large transformers on resource-limited devices with less memory.
How Over-Parameterization Slows Down Gradient Descent in Matrix Sensing: The Curses of Symmetry and Initialization
Authors: Nuoya Xiong, Lijun Ding, Simon S. Du
Date: 2023-10-03 00:00:00

This paper rigorously shows how over-parameterization changes the convergence behaviors of gradient descent (GD) for the matrix sensing problem, where the goal is to recover an unknown low-rank ground-truth matrix from near-isotropic linear measurements. First, we consider the symmetric setting with the symmetric parameterization where $M^* \in \mathbb{R}^{n \times n}$ is a positive semi-definite unknown matrix of rank $r \ll n$, and one uses a symmetric parameterization $XX^\top$ to learn $M^*$. Here $X \in \mathbb{R}^{n \times k}$ with $k > r$ is the factor matrix. We give a novel $\Omega (1/T^2)$ lower bound of randomly initialized GD for the over-parameterized case ($k >r$) where $T$ is the number of iterations. This is in stark contrast to the exact-parameterization scenario ($k=r$) where the convergence rate is $\exp (-\Omega (T))$. Next, we study asymmetric setting where $M^* \in \mathbb{R}^{n_1 \times n_2}$ is the unknown matrix of rank $r \ll \min\{n_1,n_2\}$, and one uses an asymmetric parameterization $FG^\top$ to learn $M^*$ where $F \in \mathbb{R}^{n_1 \times k}$ and $G \in \mathbb{R}^{n_2 \times k}$. Building on prior work, we give a global exact convergence result of randomly initialized GD for the exact-parameterization case ($k=r$) with an $\exp (-\Omega(T))$ rate. Furthermore, we give the first global exact convergence result for the over-parameterization case ($k>r$) with an $\exp(-\Omega(\alpha^2 T))$ rate where $\alpha$ is the initialization scale. This linear convergence result in the over-parameterization case is especially significant because one can apply the asymmetric parameterization to the symmetric setting to speed up from $\Omega (1/T^2)$ to linear convergence. On the other hand, we propose a novel method that only modifies one step of GD and obtains a convergence rate independent of $\alpha$, recovering the rate in the exact-parameterization case.
Backdiff: a diffusion model for generalized transferable protein backmapping
Authors: YiKai Liu, Ming Chen, Guang Lin
Date: 2023-10-03 00:00:00
Tasks: Drug Discovery, Protein Design

Coarse-grained (CG) models play a crucial role in the study of protein structures, protein thermodynamic properties, and protein conformation dynamics. Due to the information loss in the coarse-graining process, backmapping from CG to all-atom configurations is essential in many protein design and drug discovery applications when detailed atomic representations are needed for in-depth studies. Despite recent progress in data-driven backmapping approaches, devising a backmapping method that can be universally applied across various CG models and proteins remains unresolved. In this work, we propose BackDiff, a new generative model designed to achieve generalization and reliability in the protein backmapping problem. BackDiff leverages the conditional score-based diffusion model with geometric representations. Since different CG models can contain different coarse-grained sites which include selected atoms (CG atoms) and simple CG auxiliary functions of atomistic coordinates (CG auxiliary variables), we design a self-supervised training framework to adapt to different CG atoms, and constrain the diffusion sampling paths with arbitrary CG auxiliary variables as conditions. Our method facilitates end-to-end training and allows efficient sampling across different proteins and diverse CG models without the need for retraining. Comprehensive experiments over multiple popular CG models demonstrate BackDiff's superior performance to existing state-of-the-art approaches, and generalization and flexibility that these approaches cannot achieve. A pretrained BackDiff model can offer a convenient yet reliable plug-and-play solution for protein researchers, enabling them to investigate further from their own CG models.
Exploring Counterfactual Alignment Loss towards Human-centered AI
Authors: Mingzhou Liu, Xinwei Sun, Ching-Wen Lee, Yu Qiao, Yizhou Wang
Date: 2023-10-03 00:00:00
Tasks: Attribute, counterfactual, Lung Cancer Diagnosis

Deep neural networks have demonstrated impressive accuracy in supervised learning tasks. However, their lack of transparency makes it hard for humans to trust their results, especially in safe-critic domains such as healthcare. To address this issue, recent explanation-guided learning approaches proposed to align the gradient-based attention map to image regions annotated by human experts, thereby obtaining an intrinsically human-centered model. However, the attention map these methods are based on may fail to causally attribute the model predictions, thus compromising their validity for alignment. To address this issue, we propose a novel human-centered framework based on counterfactual generation. In particular, we utilize the counterfactual generation's ability for causal attribution to introduce a novel loss called the CounterFactual Alignment (CF-Align) loss. This loss guarantees that the features attributed by the counterfactual generation for the classifier align with the human annotations. To optimize the proposed loss that entails a counterfactual generation with an implicit function form, we leverage the implicit function theorem for backpropagation. Our method is architecture-agnostic and, therefore can be applied to any neural network. We demonstrate the effectiveness of our method on a lung cancer diagnosis dataset, showcasing faithful alignment to humans.
Data Cleaning and Machine Learning: A Systematic Literature Review
Authors: Pierre-Olivier Côté, Amin Nikanjam, Nafisa Ahmed, Dmytro Humeniuk, Foutse khomh
Date: 2023-10-03 00:00:00
Tasks: Imputation, Outlier Detection, Systematic Literature Review

Context: Machine Learning (ML) is integrated into a growing number of systems for various applications. Because the performance of an ML model is highly dependent on the quality of the data it has been trained on, there is a growing interest in approaches to detect and repair data errors (i.e., data cleaning). Researchers are also exploring how ML can be used for data cleaning; hence creating a dual relationship between ML and data cleaning. To the best of our knowledge, there is no study that comprehensively reviews this relationship. Objective: This paper's objectives are twofold. First, it aims to summarize the latest approaches for data cleaning for ML and ML for data cleaning. Second, it provides future work recommendations. Method: We conduct a systematic literature review of the papers published between 2016 and 2022 inclusively. We identify different types of data cleaning activities with and for ML: feature cleaning, label cleaning, entity matching, outlier detection, imputation, and holistic data cleaning. Results: We summarize the content of 101 papers covering various data cleaning activities and provide 24 future work recommendations. Our review highlights many promising data cleaning techniques that can be further extended. Conclusion: We believe that our review of the literature will help the community develop better approaches to clean data.
Sampling Multimodal Distributions with the Vanilla Score: Benefits of Data-Based Initialization
Authors: Frederic Koehler, Thuy-Duong Vuong
Date: 2023-10-03 00:00:00

There is a long history, as well as a recent explosion of interest, in statistical and generative modeling approaches based on score functions -- derivatives of the log-likelihood of a distribution. In seminal works, Hyv\"arinen proposed vanilla score matching as a way to learn distributions from data by computing an estimate of the score function of the underlying ground truth, and established connections between this method and established techniques like Contrastive Divergence and Pseudolikelihood estimation. It is by now well-known that vanilla score matching has significant difficulties learning multimodal distributions. Although there are various ways to overcome this difficulty, the following question has remained unanswered -- is there a natural way to sample multimodal distributions using just the vanilla score? Inspired by a long line of related experimental works, we prove that the Langevin diffusion with early stopping, initialized at the empirical distribution, and run on a score function estimated from data successfully generates natural multimodal distributions (mixtures of log-concave distributions).
Linearization of ReLU Activation Function for Neural Network-Embedded Optimization: Optimal Day-Ahead Energy Scheduling
Authors: Cunzhi Zhao, Fan Jiang, Xingpeng Li
Date: 2023-10-03 00:00:00
Tasks: Scheduling

Recently, neural networks have been widely applied in the power system area. They can be used for better predicting input information and modeling system performance with increased accuracy. In some applications such as battery degradation neural network-based microgrid day-ahead energy scheduling, the input features of the trained learning model are variables to be solved in optimization models that enforce limits on the output of the same learning model. This will create a neural network-embedded optimization problem; the use of nonlinear activation functions in the neural network will make such problems extremely hard to solve if not unsolvable. To address this emerging challenge, this paper investigated different methods for linearizing the nonlinear activation functions with a particular focus on the widely used rectified linear unit (ReLU) function. Four linearization methods tailored for the ReLU activation function are developed, analyzed and compared in this paper. Each method employs a set of linear constraints to replace the ReLU function, effectively linearizing the optimization problem, which can overcome the computational challenges associated with the nonlinearity of the neural network model. These proposed linearization methods provide valuable tools for effectively solving optimization problems that integrate neural network models with ReLU activation functions
CausalTime: Realistically Generated Time-series for Benchmarking of Causal Discovery
Authors: Yuxiao Cheng, Ziqian Wang, Tingxiong Xiao, Qin Zhong, Jinli Suo, Kunlun He
Date: 2023-10-03 00:00:00
Tasks: Benchmarking, Causal Discovery, Time Series

Time-series causal discovery (TSCD) is a fundamental problem of machine learning. However, existing synthetic datasets cannot properly evaluate or predict the algorithms' performance on real data. This study introduces the CausalTime pipeline to generate time-series that highly resemble the real data and with ground truth causal graphs for quantitative performance evaluation. The pipeline starts from real observations in a specific scenario and produces a matching benchmark dataset. Firstly, we harness deep neural networks along with normalizing flow to accurately capture realistic dynamics. Secondly, we extract hypothesized causal graphs by performing importance analysis on the neural network or leveraging prior knowledge. Thirdly, we derive the ground truth causal graphs by splitting the causal model into causal term, residual term, and noise term. Lastly, using the fitted network and the derived causal graph, we generate corresponding versatile time-series proper for algorithm assessment. In the experiments, we validate the fidelity of the generated data through qualitative and quantitative experiments, followed by a benchmarking of existing TSCD algorithms using these generated datasets. CausalTime offers a feasible solution to evaluating TSCD algorithms in real applications and can be generalized to a wide range of fields. For easy use of the proposed approach, we also provide a user-friendly website, hosted on www.causaltime.cc.
5G Network Slicing: Analysis of Multiple Machine Learning Classifiers
Authors: Mirsad Malkoc, Hisham A. Kholidy
Date: 2023-10-03 00:00:00
Tasks: Autonomous Vehicles

The division of one physical 5G communications infrastructure into several virtual network slices with distinct characteristics such as bandwidth, latency, reliability, security, and service quality is known as 5G network slicing. Each slice is a separate logical network that meets the requirements of specific services or use cases, such as virtual reality, gaming, autonomous vehicles, or industrial automation. The network slice can be adjusted dynamically to meet the changing demands of the service, resulting in a more cost-effective and efficient approach to delivering diverse services and applications over a shared infrastructure. This paper assesses various machine learning techniques, including the logistic regression model, linear discriminant model, k-nearest neighbor's model, decision tree model, random forest model, SVC BernoulliNB model, and GaussianNB model, to investigate the accuracy and precision of each model on detecting network slices. The report also gives an overview of 5G network slicing.
Randomized Dimension Reduction with Statistical Guarantees
Authors: Yijun Dong
Date: 2023-10-03 00:00:00
Tasks: Computational Efficiency, Data Augmentation, Dimensionality Reduction, Image Segmentation, Medical Image Segmentation, Semantic Segmentation

Large models and enormous data are essential driving forces of the unprecedented successes achieved by modern algorithms, especially in scientific computing and machine learning. Nevertheless, the growing dimensionality and model complexity, as well as the non-negligible workload of data pre-processing, also bring formidable costs to such successes in both computation and data aggregation. As the deceleration of Moore's Law slackens the cost reduction of computation from the hardware level, fast heuristics for expensive classical routines and efficient algorithms for exploiting limited data are increasingly indispensable for pushing the limit of algorithm potency. This thesis explores some of such algorithms for fast execution and efficient data utilization. From the computational efficiency perspective, we design and analyze fast randomized low-rank decomposition algorithms for large matrices based on "matrix sketching", which can be regarded as a dimension reduction strategy in the data space. These include the randomized pivoting-based interpolative and CUR decomposition discussed in Chapter 2 and the randomized subspace approximations discussed in Chapter 3. From the sample efficiency perspective, we focus on learning algorithms with various incorporations of data augmentation that improve generalization and distributional robustness provably. Specifically, Chapter 4 presents a sample complexity analysis for data augmentation consistency regularization where we view sample efficiency from the lens of dimension reduction in the function space. Then in Chapter 5, we introduce an adaptively weighted data augmentation consistency regularization algorithm for distributionally robust optimization with applications in medical image segmentation.