pwc-archive/papers-with-abstracts huggingface dataset:
Improving Structural Diversity of Blackbox LLMs via Chain-of-Specification Prompting
Authors: Halley Young, Yimeng Zeng, Jacob Gardner, Osbert Bastani
Date: 2024-08-12 00:00:00
Tasks: Diversity

The capability to generate diverse text is a key challenge facing large language models (LLMs). Thus far, diversity has been studied via metrics such as $n$-gram diversity or diversity of BERT embeddings. However, for these kinds of diversity, the user has little control over the dimensions along which diversity is considered. For example, in the poetry domain, one might desire diversity in terms of rhyme and meter, whereas in the code domain, one might desire diversity in terms of the kinds of expressions used to solve a problem. We propose a diversity metric called structural diversity, where the user provides a mapping from generated text to features capturing the kinds of diversity that they care about. In addition, we propose a novel strategy called chain-of-specification (CoS) prompting for improving diversity by first having the LLM generate a specification encoding one instance of structural features, and then prompting the LLM to generate text that satisfies these features; notably, our strategy works with blackbox LLMs. In our experiments, we show that for structural diversity in the poetry and code domains, CoS significantly improves diversity compared to several baselines.
Centralized and Federated Heart Disease Classification Models Using UCI Dataset and their Shapley-value Based Interpretability
Authors: Mario Padilla Rodriguez, Mohamed Nafea
Date: 2024-08-12 00:00:00
Tasks: Binary Classification, Classification, Diagnostic, Federated Learning

Cardiovascular diseases are a leading cause of mortality worldwide, highlighting the need for accurate diagnostic methods. This study benchmarks centralized and federated machine learning algorithms for heart disease classification using the UCI dataset which includes 920 patient records from four hospitals in the USA, Hungary and Switzerland. Our benchmark is supported by Shapley-value interpretability analysis to quantify features' importance for classification. In the centralized setup, various binary classification algorithms are trained on pooled data, with a support vector machine (SVM) achieving the highest testing accuracy of 83.3\%, surpassing the established benchmark of 78.7\% with logistic regression. Additionally, federated learning algorithms with four clients (hospitals) are explored, leveraging the dataset's natural partition to enhance privacy without sacrificing accuracy. Federated SVM, an uncommon approach in the literature, achieves a top testing accuracy of 73.8\%. Our interpretability analysis aligns with existing medical knowledge of heart disease indicators. Overall, this study establishes a benchmark for efficient and interpretable pre-screening tools for heart disease while maintaining patients' privacy. This work is available at https://github.com/padillma1/Heart-Disease-Classification-on-UCI-dataset-and-Shapley-Interpretability-Analysis.
Contexts Matter: An Empirical Study on Contextual Influence in Fairness Testing for Deep Learning Systems
Authors: Chengwen Du, Tao Chen
Date: 2024-08-12 00:00:00
Tasks: Fairness

Background: Fairness testing for deep learning systems has been becoming increasingly important. However, much work assumes perfect context and conditions from the other parts: well-tuned hyperparameters for accuracy; rectified bias in data, and mitigated bias in the labeling. Yet, these are often difficult to achieve in practice due to their resource-/labour-intensive nature. Aims: In this paper, we aim to understand how varying contexts affect fairness testing outcomes. Method:We conduct an extensive empirical study, which covers $10,800$ cases, to investigate how contexts can change the fairness testing result at the model level against the existing assumptions. We also study why the outcomes were observed from the lens of correlation/fitness landscape analysis. Results: Our results show that different context types and settings generally lead to a significant impact on the testing, which is mainly caused by the shifts of the fitness landscape under varying contexts. Conclusions: Our findings provide key insights for practitioners to evaluate the test generators and hint at future research directions.
Approximating Discrimination Within Models When Faced With Several Non-Binary Sensitive Attributes
Authors: Yijun Bian, Yujie Luo, Ping Xu
Date: 2024-08-12 00:00:00
Tasks: Attribute, Fairness, valid

Discrimination mitigation within machine learning (ML) models could be complicated because multiple factors may be interwoven hierarchically and historically. Yet few existing fairness measures can capture the discrimination level within ML models in the face of multiple sensitive attributes (SAs). To bridge this gap, we propose a fairness measure based on distances between sets from a manifold perspective, named as 'Harmonic Fairness measure via Manifolds (HFM)' with two optional versions, which can deal with a fine-grained discrimination evaluation for several SAs of multiple values. Because directly computing HFM may be costly, to accelerate its subprocedure -- the computation of distances of sets, we further propose two approximation algorithms named 'Approximation of distance between sets for one sensitive attribute with multiple values (ApproxDist)' and 'Approximation of extended distance between sets for several sensitive attributes with multiple values (ExtendDist)' to respectively resolve bias evaluation of one single SA with multiple values and that of several SAs with multiple values. Moreover, we provide an algorithmic effectiveness analysis for ApproxDist under certain assumptions to explain how well it could work. The empirical results demonstrate that our proposed fairness measure HFM is valid and approximation algorithms (i.e. ApproxDist and ExtendDist) are effective and efficient.
Neural Network Surrogate and Projected Gradient Descent for Fast and Reliable Finite Element Model Calibration: a Case Study on an Intervertebral Disc
Authors: Matan Atad, Gabriel Gruber, Marx Ribeiro, Luis Fernando Nicolini, Robert Graf, Hendrik Möller, Kati Nispel, Ivan Ezhov, Daniel Rueckert, Jan S. Kirschke
Date: 2024-08-12 00:00:00
Tasks: Dataset Generation

Accurate calibration of finite element (FE) models is essential across various biomechanical applications, including human intervertebral discs (IVDs), to ensure their reliability and use in diagnosing and planning treatments. However, traditional calibration methods are computationally intensive, requiring iterative, derivative-free optimization algorithms that often take days to converge. This study addresses these challenges by introducing a novel, efficient, and effective calibration method demonstrated on a human L4-L5 IVD FE model as a case study using a neural network (NN) surrogate. The NN surrogate predicts simulation outcomes with high accuracy, outperforming other machine learning models, and significantly reduces the computational cost associated with traditional FE simulations. Next, a Projected Gradient Descent (PGD) approach guided by gradients of the NN surrogate is proposed to efficiently calibrate FE models. Our method explicitly enforces feasibility with a projection step, thus maintaining material bounds throughout the optimization process. The proposed method is evaluated against SOTA Genetic Algorithm and inverse model baselines on synthetic and in vitro experimental datasets. Our approach demonstrates superior performance on synthetic data, achieving an MAE of 0.06 compared to the baselines' MAE of 0.18 and 0.54, respectively. On experimental specimens, our method outperforms the baseline in 5 out of 6 cases. While our approach requires initial dataset generation and surrogate training, these steps are performed only once, and the actual calibration takes under three seconds. In contrast, traditional calibration time scales linearly with the number of specimens, taking up to 8 days in the worst-case. Such efficiency paves the way for applying more complex FE models, potentially extending beyond IVDs, and enabling accurate patient-specific simulations.
TruVRF: Towards Triple-Granularity Verification on Machine Unlearning
Authors: Chunyi Zhou, Anmin Fu, Zhiyang Dai
Date: 2024-08-12 00:00:00
Tasks: Machine Unlearning

The concept of the right to be forgotten has led to growing interest in machine unlearning, but reliable validation methods are lacking, creating opportunities for dishonest model providers to mislead data contributors. Traditional invasive methods like backdoor injection are not feasible for legacy data. To address this, we introduce TruVRF, a non-invasive unlearning verification framework operating at class-, volume-, and sample-level granularities. TruVRF includes three Unlearning-Metrics designed to detect different types of dishonest servers: Neglecting, Lazy, and Deceiving. Unlearning-Metric-I checks class alignment, Unlearning-Metric-II verifies sample count, and Unlearning-Metric-III confirms specific sample deletion. Evaluations on three datasets show TruVRF's robust performance, with over 90% accuracy for Metrics I and III, and a 4.8% to 8.2% inference deviation for Metric II. TruVRF also demonstrates generalizability and practicality across various conditions and with state-of-the-art unlearning frameworks like SISA and Amnesiac Unlearning.
What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much?
Authors: Rafał Karczewski, Samuel Kaski, Markus Heinonen, Vikas Garg
Date: 2024-08-12 00:00:00
Tasks: Attribute, Drug Design

Several generative models with elaborate training and sampling procedures have been proposed to accelerate structure-based drug design (SBDD); however, their empirical performance turns out to be suboptimal. We seek to better understand this phenomenon from both theoretical and empirical perspectives. Since most of these models apply graph neural networks (GNNs), one may suspect that they inherit the representational limitations of GNNs. We analyze this aspect, establishing the first such results for protein-ligand complexes. A plausible counterview may attribute the underperformance of these models to their excessive parameterizations, inducing expressivity at the expense of generalization. We investigate this possibility with a simple metric-aware approach that learns an economical surrogate for affinity to infer an unlabelled molecular graph and optimizes for labels conditioned on this graph and molecular properties. The resulting model achieves state-of-the-art results using 100x fewer trainable parameters and affords up to 1000x speedup. Collectively, our findings underscore the need to reassess and redirect the existing paradigm and efforts for SBDD. Code is available at https://github.com/rafalkarczewski/SimpleSBDD.
Graph Clustering with Cross-View Feature Propagation
Authors: Zhixuan Duan, Zuo Wang, Fanghui Bi
Date: 2024-08-12 00:00:00
Tasks: Clustering, Graph Clustering

Graph clustering is a fundamental and challenging learning task, which is conventionally approached by grouping similar vertices based on edge structure and feature similarity.In contrast to previous methods, in this paper, we investigate how multi-view feature propagation can influence cluster discovery in graph data.To this end, we present Graph Clustering With Cross-View Feature Propagation (GCCFP), a novel method that leverages multi-view feature propagation to enhance cluster identification in graph data.GCCFP employs a unified objective function that utilizes graph topology and multi-view vertex features to determine vertex cluster membership, regularized by a module that supports key latent feature propagation. We derive an iterative algorithm to optimize this function, prove model convergence within a finite number of iterations, and analyze its computational complexity. Our experiments on various real-world graphs demonstrate the superior clustering performance of GCCFP compared to well-established methods, manifesting its effectiveness across different scenarios.
A Comprehensive Survey on EEG-Based Emotion Recognition: A Graph-Based Perspective
Authors: Chenyu Liu, Xinliang Zhou, Yihao Wu, Yi Ding, Liming Zhai, Kun Wang, Ziyu Jia, Yang Liu
Date: 2024-08-12 00:00:00
Tasks: EEG, Electroencephalogram (EEG), Emotion Recognition

Compared to other modalities, electroencephalogram (EEG) based emotion recognition can intuitively respond to emotional patterns in the human brain and, therefore, has become one of the most focused tasks in affective computing. The nature of emotions is a physiological and psychological state change in response to brain region connectivity, making emotion recognition focus more on the dependency between brain regions instead of specific brain regions. A significant trend is the application of graphs to encapsulate such dependency as dynamic functional connections between nodes across temporal and spatial dimensions. Concurrently, the neuroscientific underpinnings behind this dependency endow the application of graphs in this field with a distinctive significance. However, there is neither a comprehensive review nor a tutorial for constructing emotion-relevant graphs in EEG-based emotion recognition. In this paper, we present a comprehensive survey of these studies, delivering a systematic review of graph-related methods in this field from a methodological perspective. We propose a unified framework for graph applications in this field and categorize these methods on this basis. Finally, based on previous studies, we also present several open challenges and future directions in this field.
LUT Tensor Core: A Software-Hardware Co-Design for LUT-Based Low-Bit LLM Inference
Authors: Zhiwen Mo, Lei Wang, Jianyu Wei, Zhichen Zeng, Shijie Cao, Lingxiao Ma, Naifeng Jing, Ting Cao, Jilong Xue, Fan Yang, Mao Yang
Date: 2024-08-12 00:00:00
Tasks: Code Generation, Language Modelling, Large Language Model

As large language model (LLM) inference continues to demand increasing computational resources, there is a rapidly growing trend toward using low-bit weights to reduce memory footprint and improve inference efficiency. However, low-bit LLMs introduce the need for mixed-precision general matrix multiplication (mpGEMM), which involves multiplying low-precision weights with higher-precision activations - a critical yet under-explored operation. Current hardware lacks native support for mpGEMM, leading to inefficient dequantization-based implementations. To address this, we explore a lookup table (LUT)-based approach to accelerate mpGEMM. While conventional LUT implementations fall short in performance and flexibility, we propose LUT Tensor Core, a software-hardware co-designed solution optimized for low-bit LLM inference. On the software side, we introduce operator fusion and table symmetrization techniques to optimize LUT generation and storage. On the hardware side, LUT Tensor Core adopts an elongated tiling shape to maximize table reuse and employs a bit-serial architecture to flexibly support a variety of precision combinations. Additionally, we design an end-to-end compilation stack with custom instructions to enable efficient code generation and optimization for LUT-based mpGEMM. Experimental results on low-bit LLMs such as BitNet and LLaMA demonstrate that LUT Tensor Core delivers over an order-of-magnitude improvement in both compute density and energy efficiency.
Parameters Inference for Nonlinear Wave Equations with Markovian Switching
Authors: Yi Zhang, Zhikun Zhang, Xiangjun Wang
Date: 2024-08-12 00:00:00
Tasks: parameter estimation

Traditional partial differential equations with constant coefficients often struggle to capture abrupt changes in real-world phenomena, leading to the development of variable coefficient PDEs and Markovian switching models. Recently, research has introduced the concept of PDEs with Markov switching models, established their well-posedness and presented numerical methods. However, there has been limited discussion on parameter estimation for the jump coefficients in these models. This paper addresses this gap by focusing on parameter inference for the wave equation with Markovian switching. We propose a Bayesian statistical framework using discrete sparse Bayesian learning to establish its convergence and a uniform error bound. Our method requires fewer assumptions and enables independent parameter inference for each segment by allowing different underlying structures for the parameter estimation problem within each segmented time interval. The effectiveness of our approach is demonstrated through three numerical cases, which involve noisy spatiotemporal data from different wave equations with Markovian switching. The results show strong performance in parameter estimation for variable coefficient PDEs.
Global-to-Local Support Spectrums for Language Model Explainability
Authors: Lucas Agussurja, Xinyang Lu, Bryan Kian Hsiang Low
Date: 2024-08-12 00:00:00
Tasks: image-classification, Image Classification, Language Modeling, Language Modelling, Text Generation

Existing sample-based methods, like influence functions and representer points, measure the importance of a training point by approximating the effect of its removal from training. As such, they are skewed towards outliers and points that are very close to the decision boundaries. The explanations provided by these methods are often static and not specific enough for different test points. In this paper, we propose a method to generate an explanation in the form of support spectrums which are based on two main ideas: the support sets and a global-to-local importance measure. The support set is the set of training points, in the predicted class, that ``lie in between'' the test point and training points in the other classes. They indicate how well the test point can be distinguished from the points not in the predicted class. The global-to-local importance measure is obtained by decoupling existing methods into the global and local components which are then used to select the points in the support set. Using this method, we are able to generate explanations that are tailored to specific test points. In the experiments, we show the effectiveness of the method in image classification and text generation tasks.
Cluster-Segregate-Perturb (CSP): A Model-agnostic Explainability Pipeline for Spatiotemporal Land Surface Forecasting Models
Authors: Tushar Verma, Sudipan Saha
Date: 2024-08-12 00:00:00
Tasks: Earth Surface Forecasting, Sensitivity

Satellite images have become increasingly valuable for modelling regional climate change effects. Earth surface forecasting represents one such task that integrates satellite images with meteorological data to capture the joint evolution of regional climate change effects. However, understanding the complex relationship between specific meteorological variables and land surface evolution poses a significant challenge. In light of this challenge, our paper introduces a pipeline that integrates principles from both perturbation-based explainability techniques like LIME and global marginal explainability techniques like PDP, besides addressing the constraints of using such techniques when applying them to high-dimensional spatiotemporal deep models. The proposed pipeline simplifies the undertaking of diverse investigative analyses, such as marginal sensitivity analysis, marginal correlation analysis, lag analysis, etc., on complex land surface forecasting models In this study we utilised Convolutional Long Short-Term Memory (ConvLSTM) as the surface forecasting model and did analyses on the Normalized Difference Vegetation Index (NDVI) of the surface forecasts, since meteorological variables like temperature, pressure, and precipitation significantly influence it. The study area encompasses various regions in Europe. Our analyses show that precipitation exhibits the highest sensitivity in the study area, followed by temperature and pressure. Pressure has little to no direct effect on NDVI. Additionally, interesting nonlinear correlations between meteorological variables and NDVI have been uncovered.
Online-Score-Aided Federated Learning: Taming the Resource Constraints in Wireless Networks
Authors: Md-Ferdous Pervej, Minseok Choi, Andreas F. Molisch
Date: 2024-08-12 00:00:00
Tasks: Federated Learning

While federated learning (FL) is a widely popular distributed machine learning (ML) strategy that protects data privacy, time-varying wireless network parameters and heterogeneous configurations of the wireless devices pose significant challenges. Although the limited radio and computational resources of the network and the clients, respectively, are widely acknowledged, two critical yet often ignored aspects are (a) wireless devices can only dedicate a small chunk of their limited storage for the FL task and (b) new training samples may arrive in an online manner in many practical wireless applications. Therefore, we propose a new FL algorithm called online-score-aided federated learning (OSAFL), specifically designed to learn tasks relevant to wireless applications under these practical considerations. Since clients' local training steps differ under resource constraints, which may lead to client drift under statistically heterogeneous data distributions, we leverage normalized gradient similarities and exploit weighting clients' updates based on optimized scores that facilitate the convergence rate of the proposed OSAFL algorithm without incurring any communication overheads to the clients or requiring any statistical data information from them. Our extensive simulation results on two different datasets with four popular ML models validate the effectiveness of OSAFL compared to five modified state-of-the-art FL baselines.
GFlowNet Training by Policy Gradients
Authors: Puhua Niu, Shili Wu, Mingzhou Fan, Xiaoning Qian
Date: 2024-08-12 00:00:00
Tasks: Reinforcement Learning (RL)

Generative Flow Networks (GFlowNets) have been shown effective to generate combinatorial objects with desired properties. We here propose a new GFlowNet training framework, with policy-dependent rewards, that bridges keeping flow balance of GFlowNets to optimizing the expected accumulated reward in traditional Reinforcement-Learning (RL). This enables the derivation of new policy-based GFlowNet training methods, in contrast to existing ones resembling value-based RL. It is known that the design of backward policies in GFlowNet training affects efficiency. We further develop a coupled training strategy that jointly solves GFlowNet forward policy training and backward policy design. Performance analysis is provided with a theoretical guarantee of our policy-based GFlowNet training. Experiments on both simulated and real-world datasets verify that our policy-based strategies provide advanced RL perspectives for robust gradient estimation to improve GFlowNet performance.