pwc-archive/papers-with-abstracts huggingface dataset:
Addax: Utilizing Zeroth-Order Gradients to Improve Memory Efficiency and Performance of SGD for Fine-Tuning Language Models
Authors: Zeman Li, Xinwei Zhang, Peilin Zhong, Yuan Deng, Meisam Razaviyayn, Vahab Mirrokni
Date: 2024-10-09 00:00:00
Tasks: GPU

Fine-tuning language models (LMs) with the Adam optimizer often demands excessive memory, limiting accessibility. The "in-place" version of Stochastic Gradient Descent (IP-SGD) and Memory-Efficient Zeroth-order Optimizer (MeZO) have been proposed to address this. However, IP-SGD still requires substantial memory, and MeZO suffers from slow convergence and degraded final performance due to its zeroth-order nature. This paper introduces Addax, a novel method that improves both memory efficiency and performance of IP-SGD by integrating it with MeZO. Specifically, Addax computes zeroth- or first-order gradients of data points in the minibatch based on their memory consumption, combining these gradient estimates to update directions. By computing zeroth-order gradients for data points that require more memory and first-order gradients for others, Addax overcomes the slow convergence of MeZO and the excessive memory requirement of IP-SGD. Additionally, the zeroth-order gradient acts as a regularizer for the first-order gradient, further enhancing the model's final performance. Theoretically, we establish the convergence of Addax under mild assumptions, demonstrating faster convergence and less restrictive hyper-parameter choices than MeZO. Our experiments with diverse LMs and tasks show that Addax consistently outperforms MeZO regarding accuracy and convergence speed while having a comparable memory footprint. When fine-tuning OPT-13B with one A100 GPU, on average, Addax outperforms MeZO in accuracy/F1 score by 14% and runs 15x faster while using memory similar to MeZO. In our experiments on the larger OPT-30B model, on average, Addax outperforms MeZO in terms of accuracy/F1 score by >16 and runs 30x faster on a single H100 GPU. Moreover, Addax surpasses the performance of standard fine-tuning approaches, such as IP-SGD and Adam, in most tasks with significantly less memory requirement.
Functional-level Uncertainty Quantification for Calibrated Fine-tuning on LLMs
Authors: Ruijia Niu, Dongxia Wu, Rose Yu, Yi-An Ma
Date: 2024-10-09 00:00:00
Tasks: Common Sense Reasoning, Mixture-of-Experts, parameter-efficient fine-tuning, Uncertainty Quantification

Accurate uncertainty quantification of large language models (LLMs) provides credibility measure over their outputs. However, fine-tuned LLMs often struggle with overconfidence in uncertain predictions due to the limitations in the models' ability to generalize with limited data. Existing parameter efficient fine-tuning (PEFT) uncertainty quantification methods for LLMs focus on post fine-tuning stage and fall short of calibrating epistemic uncertainty. To address these limitations, we propose Functional-Level Uncertainty Quantification for Calibrated Fine-Tuning (UQ4CT), which captures and calibrates epistemic uncertainty over the space of functions that map input prompts to outputs. We implement UQ4CT during the fine-tuning stage via a mixture-of-experts framework that hierarchically decomposes the functional space. We demonstrate that UQ4CT reduces Expected Calibration Error (ECE) by more than $25\%$ while maintaining high accuracy across $5$ benchmarks. Even under distribution shift, UQ4CT maintains superior ECE performance with high accuracy, showcasing improved generalizability.
Predicting Battery Capacity Fade Using Probabilistic Machine Learning Models With and Without Pre-Trained Priors
Authors: Michael J. Kenney, Katerina G. Malollari, Sergei V. Kalinin, Maxim Ziatdinov
Date: 2024-10-08 00:00:00

Lithium-ion batteries are a key energy storage technology driving revolutions in mobile electronics, electric vehicles and renewable energy storage. Capacity retention is a vital performance measure that is frequently utilized to assess whether these batteries have approached their end-of-life. Machine learning (ML) offers a powerful tool for predicting capacity degradation based on past data, and, potentially, prior physical knowledge, but the degree to which an ML prediction can be trusted is of significant practical importance in situations where consequential decisions must be made based on battery state of health. This study explores the efficacy of fully Bayesian machine learning in forecasting battery health with the quantification of uncertainty in its predictions. Specifically, we implemented three probabilistic ML approaches and evaluated the accuracy of their predictions and uncertainty estimates: a standard Gaussian process (GP), a structured Gaussian process (sGP), and a fully Bayesian neural network (BNN). In typical applications of GP and sGP, their hyperparameters are learned from a single sample while, in contrast, BNNs are typically pre-trained on an existing dataset to learn the weight distributions before being used for inference. This difference in methodology gives the BNN an advantage in learning global trends in a dataset and makes BNNs a good choice when training data is available. However, we show that pre-training can also be leveraged for GP and sGP approaches to learn the prior distributions of the hyperparameters and that in the case of the pre-trained sGP, similar accuracy and improved uncertainty estimation compared to the BNN can be achieved. This approach offers a framework for a broad range of probabilistic machine learning scenarios where past data is available and can be used to learn priors for (hyper)parameters of probabilistic ML models.
Stochastic Sparse Sampling: A Framework for Variable-Length Medical Time Series Classification
Authors: Xavier Mootoo, Alan A. Díaz-Montiel, Milad Lankarany, Hina Tabassum
Date: 2024-10-08 00:00:00
Tasks: Time Series, Time Series Classification

While the majority of time series classification research has focused on modeling fixed-length sequences, variable-length time series classification (VTSC) remains critical in healthcare, where sequence length may vary among patients and events. To address this challenge, we propose $\textbf{S}$tochastic $\textbf{S}$parse $\textbf{S}$ampling (SSS), a novel VTSC framework developed for medical time series. SSS manages variable-length sequences by sparsely sampling fixed windows to compute local predictions, which are then aggregated and calibrated to form a global prediction. We apply SSS to the task of seizure onset zone (SOZ) localization, a critical VTSC problem requiring identification of seizure-inducing brain regions from variable-length electrophysiological time series. We evaluate our method on the Epilepsy iEEG Multicenter Dataset, a heterogeneous collection of intracranial electroencephalography (iEEG) recordings obtained from four independent medical centers. SSS demonstrates superior performance compared to state-of-the-art (SOTA) baselines across most medical centers, and superior performance on all out-of-distribution (OOD) unseen medical centers. Additionally, SSS naturally provides post-hoc insights into local signal characteristics related to the SOZ, by visualizing temporally averaged local predictions throughout the signal.
Automating Data Science Pipelines with Tensor Completion
Authors: Shaan Pakala, Bryce Graw, Dawon Ahn, Tam Dinh, Mehnaz Tabassum Mahin, Vassilis Tsotras, Jia Chen, Evangelos E. Papalexakis
Date: 2024-10-08 00:00:00
Tasks: Hyperparameter Optimization, Neural Architecture Search

Hyperparameter optimization is an essential component in many data science pipelines and typically entails exhaustive time and resource-consuming computations in order to explore the combinatorial search space. Similar to this problem, other key operations in data science pipelines exhibit the exact same properties. Important examples are: neural architecture search, where the goal is to identify the best design choices for a neural network, and query cardinality estimation, where given different predicate values for a SQL query the goal is to estimate the size of the output. In this paper, we abstract away those essential components of data science pipelines and we model them as instances of tensor completion, where each variable of the search space corresponds to one mode of the tensor, and the goal is to identify all missing entries of the tensor, corresponding to all combinations of variable values, starting from a very small sample of observed entries. In order to do so, we first conduct a thorough experimental evaluation of existing state-of-the-art tensor completion techniques and introduce domain-inspired adaptations (such as smoothness across the discretized variable space) and an ensemble technique which is able to achieve state-of-the-art performance. We extensively evaluate existing and proposed methods in a number of datasets generated corresponding to (a) hyperparameter optimization for non-neural network models, (b) neural architecture search, and (c) variants of query cardinality estimation, demonstrating the effectiveness of tensor completion as a tool for automating data science pipelines. Furthermore, we release our generated datasets and code in order to provide benchmarks for future work on this topic.
A Skewness-Based Criterion for Addressing Heteroscedastic Noise in Causal Discovery
Authors: Yingyu Lin, Yuxing Huang, Wenqin Liu, Haoran Deng, Ignavier Ng, Kun Zhang, Mingming Gong, Yi-An Ma, Biwei Huang
Date: 2024-10-08 00:00:00
Tasks: Causal Discovery

Real-world data often violates the equal-variance assumption (homoscedasticity), making it essential to account for heteroscedastic noise in causal discovery. In this work, we explore heteroscedastic symmetric noise models (HSNMs), where the effect $Y$ is modeled as $Y = f(X) + \sigma(X)N$, with $X$ as the cause and $N$ as independent noise following a symmetric distribution. We introduce a novel criterion for identifying HSNMs based on the skewness of the score (i.e., the gradient of the log density) of the data distribution. This criterion establishes a computationally tractable measurement that is zero in the causal direction but nonzero in the anticausal direction, enabling the causal direction discovery. We extend this skewness-based criterion to the multivariate setting and propose SkewScore, an algorithm that handles heteroscedastic noise without requiring the extraction of exogenous noise. We also conduct a case study on the robustness of SkewScore in a bivariate model with a latent confounder, providing theoretical insights into its performance. Empirical studies further validate the effectiveness of the proposed method.
Topology-Agnostic Graph U-Nets for Scalar Field Prediction on Unstructured Meshes
Authors: Kevin Ferguson, Yu-Hsuan Chen, Yiming Chen, Andrew Gillman, James Hardin, Levent Burak Kara
Date: 2024-10-08 00:00:00
Tasks: TAG

Machine-learned surrogate models to accelerate lengthy computer simulations are becoming increasingly important as engineers look to streamline the product design cycle. In many cases, these approaches offer the ability to predict relevant quantities throughout a geometry, but place constraints on the form of the input data. In a world of diverse data types, a preferred approach would not restrict the input to a particular structure. In this paper, we propose Topology-Agnostic Graph U-Net (TAG U-Net), a graph convolutional network that can be trained to input any mesh or graph structure and output a prediction of a target scalar field at each node. The model constructs coarsened versions of each input graph and performs a set of convolution and pooling operations to predict the node-wise outputs on the original graph. By training on a diverse set of shapes, the model can make strong predictions, even for shapes unlike those seen during training. A 3-D additive manufacturing dataset is presented, containing Laser Powder Bed Fusion simulation results for thousands of parts. The model is demonstrated on this dataset, and it performs well, predicting both 2-D and 3-D scalar fields with a median R-squared > 0.85 on test geometries. Code and datasets are available online.
Reliable Heading Tracking for Pedestrian Road Crossing Prediction Using Commodity Devices
Authors: Yucheng Yang, Jingjie Li, Kassem Fawaz
Date: 2024-10-08 00:00:00
Tasks: Sensor Fusion

Pedestrian heading tracking enables applications in pedestrian navigation, traffic safety, and accessibility. Previous works, using inertial sensor fusion or machine learning, are limited in that they assume the phone is fixed in specific orientations, hindering their generalizability. We propose a new heading tracking algorithm, the Orientation-Heading Alignment (OHA), which leverages a key insight: people tend to carry smartphones in certain ways due to habits, such as swinging them while walking. For each smartphone attitude during this motion, OHA maps the smartphone orientation to the pedestrian heading and learns such mappings efficiently from coarse headings and smartphone orientations. To anchor our algorithm in a practical scenario, we apply OHA to a challenging task: predicting when pedestrians are about to cross the road to improve road user safety. In particular, using 755 hours of walking data collected since 2020 from 60 individuals, we develop a lightweight model that operates in real-time on commodity devices to predict road crossings. Our evaluation shows that OHA achieves 3.4 times smaller heading errors across nine scenarios than existing methods. Furthermore, OHA enables the early and accurate detection of pedestrian crossing behavior, issuing crossing alerts 0.35 seconds, on average, before pedestrians enter the road range.
Adaptive Random Fourier Features Training Stabilized By Resampling With Applications in Image Regression
Authors: Aku Kammonen, Anamika Pandey, Erik von Schwerin, Raúl Tempone
Date: 2024-10-08 00:00:00
Tasks: regression

This paper presents an enhanced adaptive random Fourier features (ARFF) training algorithm for shallow neural networks, building upon the work introduced in "Adaptive Random Fourier Features with Metropolis Sampling", Kammonen et al., \emph{Foundations of Data Science}, 2(3):309--332, 2020. This improved method uses a particle filter-type resampling technique to stabilize the training process and reduce the sensitivity to parameter choices. The Metropolis test can also be omitted when resampling is used, reducing the number of hyperparameters by one and reducing the computational cost per iteration compared to the ARFF method. We present comprehensive numerical experiments demonstrating the efficacy of the proposed algorithm in function regression tasks as a stand-alone method and as a pretraining step before gradient-based optimization, using the Adam optimizer. Furthermore, we apply the proposed algorithm to a simple image regression problem, illustrating its utility in sampling frequencies for the random Fourier features (RFF) layer of coordinate-based multilayer perceptrons. In this context, we use the proposed algorithm to sample the parameters of the RFF layer in an automated manner.
Provable Accuracy Bounds for Hybrid Dynamical Optimization and Sampling
Authors: Matthew X. Burns, Qingyuan Hou, Michael C. Huang
Date: 2024-10-08 00:00:00

Analog dynamical accelerators (DXs) are a growing sub-field in computer architecture research, offering order-of-magnitude gains in power efficiency and latency over traditional digital methods in several machine learning, optimization, and sampling tasks. However, limited-capacity accelerators require hybrid analog/digital algorithms to solve real-world problems, commonly using large-neighborhood local search (LNLS) frameworks. Unlike fully digital algorithms, hybrid LNLS has no non-asymptotic convergence guarantees and no principled hyperparameter selection schemes, particularly limiting cross-device training and inference. In this work, we provide non-asymptotic convergence guarantees for hybrid LNLS by reducing to block Langevin Diffusion (BLD) algorithms. Adapting tools from classical sampling theory, we prove exponential KL-divergence convergence for randomized and cyclic block selection strategies using ideal DXs. With finite device variation, we provide explicit bounds on the 2-Wasserstein bias in terms of step duration, noise strength, and function parameters. Our BLD model provides a key link between established theory and novel computing platforms, and our theoretical results provide a closed-form expression linking device variation, algorithm hyperparameters, and performance.
Counterfactual Causal Inference in Natural Language with Large Language Models
Authors: Gaël Gendron, Jože M. Rožanec, Michael Witbrock, Gillian Dobbie
Date: 2024-10-08 00:00:00
Tasks: Articles, Causal Inference, counterfactual, Counterfactual Inference

Causal structure discovery methods are commonly applied to structured data where the causal variables are known and where statistical testing can be used to assess the causal relationships. By contrast, recovering a causal structure from unstructured natural language data such as news articles contains numerous challenges due to the absence of known variables or counterfactual data to estimate the causal links. Large Language Models (LLMs) have shown promising results in this direction but also exhibit limitations. This work investigates LLM's abilities to build causal graphs from text documents and perform counterfactual causal inference. We propose an end-to-end causal structure discovery and causal inference method from natural language: we first use an LLM to extract the instantiated causal variables from text data and build a causal graph. We merge causal graphs from multiple data sources to represent the most exhaustive set of causes possible. We then conduct counterfactual inference on the estimated graph. The causal graph conditioning allows reduction of LLM biases and better represents the causal estimands. We use our method to show that the limitations of LLMs in counterfactual causal reasoning come from prediction errors and propose directions to mitigate them. We demonstrate the applicability of our method on real-world news articles.
Riemannian Optimization for Non-convex Euclidean Distance Geometry with Global Recovery Guarantees
Authors: Chandler Smith, HanQin Cai, Abiy Tasissa
Date: 2024-10-08 00:00:00
Tasks: Low-Rank Matrix Completion, Matrix Completion, Riemannian optimization

The problem of determining the configuration of points from partial distance information, known as the Euclidean Distance Geometry (EDG) problem, is fundamental to many tasks in the applied sciences. In this paper, we propose two algorithms grounded in the Riemannian optimization framework to address the EDG problem. Our approach formulates the problem as a low-rank matrix completion task over the Gram matrix, using partial measurements represented as expansion coefficients of the Gram matrix in a non-orthogonal basis. For the first algorithm, under a uniform sampling with replacement model for the observed distance entries, we demonstrate that, with high probability, a Riemannian gradient-like algorithm on the manifold of rank-$r$ matrices converges linearly to the true solution, given initialization via a one-step hard thresholding. This holds provided the number of samples, $m$, satisfies $m \geq \mathcal{O}(n^{7/4}r^2 \log(n))$. With a more refined initialization, achieved through resampled Riemannian gradient-like descent, we further improve this bound to $m \geq \mathcal{O}(nr^2 \log(n))$. Our analysis for the first algorithm leverages a non-self-adjoint operator and depends on deriving eigenvalue bounds for an inner product matrix of restricted basis matrices, leveraging sparsity properties for tighter guarantees than previously established. The second algorithm introduces a self-adjoint surrogate for the sampling operator. This algorithm demonstrates strong numerical performance on both synthetic and real data. Furthermore, we show that optimizing over manifolds of higher-than-rank-$r$ matrices yields superior numerical results, consistent with recent literature on overparameterization in the EDG problem.
Communication-Efficient Federated Group Distributionally Robust Optimization
Authors: Zhishuai Guo, Tianbao Yang
Date: 2024-10-08 00:00:00
Tasks: Federated Learning

Federated learning faces challenges due to the heterogeneity in data volumes and distributions at different clients, which can compromise model generalization ability to various distributions. Existing approaches to address this issue based on group distributionally robust optimization (GDRO) often lead to high communication and sample complexity. To this end, this work introduces algorithms tailored for communication-efficient Federated Group Distributionally Robust Optimization (FGDRO). Our contributions are threefold: Firstly, we introduce the FGDRO-CVaR algorithm, which optimizes the average top-K losses while reducing communication complexity to $O(1/\epsilon^4)$, where $\epsilon$ denotes the desired precision level. Secondly, our FGDRO-KL algorithm is crafted to optimize KL regularized FGDRO, cutting communication complexity to $O(1/\epsilon^3)$. Lastly, we propose FGDRO-KL-Adam to utilize Adam-type local updates in FGDRO-KL, which not only maintains a communication cost of $O(1/\epsilon^3)$ but also shows potential to surpass SGD-type local steps in practical applications. The effectiveness of our algorithms has been demonstrated on a variety of real-world tasks, including natural language processing and computer vision.
SpaLLM: Unified Compressive Adaptation of Large Language Models with Sketching
Authors: Tianyi Zhang, Junda Su, Oscar Wu, Zhaozhuo Xu, Anshumali Shrivastava
Date: 2024-10-08 00:00:00
Tasks: Model Compression, Natural Language Understanding

Compressive adaptation approaches, such as QLoRA, are widely popular alternatives for reducing memory requirements during fine-tuning of large language models (LLMs) while producing models capable of handling various downstream tasks. The key idea is to employ a "two-tower" architecture: compressing pre-trained LLM parameters into compact representations and fine-tuning the additive full-precision adapter, which typically has few tunable parameters in low-rank format. However, the strict algebraic assumptions, such as low-rank assumption, and the complexity of composing two-tower architectures are some of the known shortcomings, resulting in a poor accuracy-efficiency trade-off. In response to these known limitations, we propose SpaLLM (Sketched Parameter Adaptation of LLMs), a novel compressive adaptation approach for LLMs. This method is also the first to illustrate parameter-sharing compression methods for LLM fine-tuning, which, unlike QLoRA, are free from strict low-rank algebraic assumptions on adapters. Furthermore, our proposal unifies model compression and adaptation into a single, streamlined process, eliminating the need for two-tower architectures. SpaLLM sketches pre-trained LLM weights into lookup tables and directly fine-tunes the values in these tables. This approach simplifies LLMs' compressive adaptation workflow, potentially improves multi-user serving efficiency, and delivers significantly better accuracy for both natural language understanding and generation tasks. Moreover, by avoiding the "two-tower" architecture, our framework only requires one compressed matrix multiplication per layer during inference, demonstrating superior inference efficiency compared to previous methods.