pwc-archive/papers-with-abstracts huggingface dataset:
Hyper-parameter Optimization for Federated Learning with Step-wise Adaptive Mechanism
Authors: Yasaman Saadati, M. Hadi Amini
Date: 2024-11-19 00:00:00
Tasks: AutoML, Federated Learning, Privacy Preserving

Federated Learning (FL) is a decentralized learning approach that protects sensitive information by utilizing local model parameters rather than sharing clients' raw datasets. While this privacy-preserving method is widely employed across various applications, it still requires significant development and optimization. Automated Machine Learning (Auto-ML) has been adapted for reducing the need for manual adjustments. Previous studies have explored the integration of AutoML with different FL algorithms to evaluate their effectiveness in enhancing FL settings. However, Automated FL (Auto-FL) faces additional challenges due to the involvement of a large cohort of clients and global training rounds between clients and the server, rendering the tuning process time-consuming and nearly impossible on resource-constrained edge devices (e.g., IoT devices). This paper investigates the deployment and integration of two lightweight Hyper-Parameter Optimization (HPO) tools, Raytune and Optuna, within the context of FL settings. A step-wise feedback mechanism has also been designed to accelerate the hyper-parameter tuning process and coordinate AutoML toolkits with the FL server. To this end, both local and global feedback mechanisms are integrated to limit the search space and expedite the HPO process. Further, a novel client selection technique is introduced to mitigate the straggler effect in Auto-FL. The selected hyper-parameter tuning tools are evaluated using two benchmark datasets, FEMNIST, and CIFAR10. Further, the paper discusses the essential properties of successful HPO tools, the integration mechanism with the FL pipeline, and the challenges posed by the distributed and heterogeneous nature of FL environments.
Hierarchical Spatio-Temporal Uncertainty Quantification for Distributed Energy Adoption
Authors: Wenbin Zhou, Shixiang Zhu, Feng Qiu, Xuan Wu
Date: 2024-11-19 00:00:00
Tasks: Conformal Prediction, Management, Uncertainty Quantification

The rapid deployment of distributed energy resources (DER) has introduced significant spatio-temporal uncertainties in power grid management, necessitating accurate multilevel forecasting methods. However, existing approaches often produce overly conservative uncertainty intervals at individual spatial units and fail to properly capture uncertainties when aggregating predictions across different spatial scales. This paper presents a novel hierarchical spatio-temporal model based on the conformal prediction framework to address these challenges. Our approach generates circuit-level DER growth predictions and efficiently aggregates them to the substation level while maintaining statistical validity through a tailored non-conformity score. Applied to a decade of DER installation data from a local utility network, our method demonstrates superior performance over existing approaches, particularly in reducing prediction interval widths while maintaining coverage.
Action-Attentive Deep Reinforcement Learning for Autonomous Alignment of Beamlines
Authors: Siyu Wang, Shengran Dai, Jianhui Jiang, Shuang Wu, Yufei Peng, Junbin Zhang
Date: 2024-11-19 00:00:00
Tasks: Bayesian Optimization, Deep Reinforcement Learning, Reinforcement Learning (RL)

Synchrotron radiation sources play a crucial role in fields such as materials science, biology, and chemistry. The beamline, a key subsystem of the synchrotron, modulates and directs the radiation to the sample for analysis. However, the alignment of beamlines is a complex and time-consuming process, primarily carried out manually by experienced engineers. Even minor misalignments in optical components can significantly affect the beam's properties, leading to suboptimal experimental outcomes. Current automated methods, such as bayesian optimization (BO) and reinforcement learning (RL), although these methods enhance performance, limitations remain. The relationship between the current and target beam properties, crucial for determining the adjustment, is not fully considered. Additionally, the physical characteristics of optical elements are overlooked, such as the need to adjust specific devices to control the output beam's spot size or position. This paper addresses the alignment of beamlines by modeling it as a Markov Decision Process (MDP) and training an intelligent agent using RL. The agent calculates adjustment values based on the current and target beam states, executes actions, and iterates until optimal parameters are achieved. A policy network with action attention is designed to improve decision-making by considering both state differences and the impact of optical components. Experiments on two simulated beamlines demonstrate that our algorithm outperforms existing methods, with ablation studies highlighting the effectiveness of the action attention-based policy network.
Sensor-fusion based Prognostics Framework for Complex Engineering Systems Exhibiting Multiple Failure Modes
Authors: Benjamin Peters, Ayush Mohanty, Xiaolei Fang, Stephen K. Robinson, Nagi Gebraeel
Date: 2024-11-19 00:00:00
Tasks: Sensor Fusion

Complex engineering systems are often subject to multiple failure modes. Developing a remaining useful life (RUL) prediction model that does not consider the failure mode causing degradation is likely to result in inaccurate predictions. However, distinguishing between causes of failure without manually inspecting the system is nontrivial. This challenge is increased when the causes of historically observed failures are unknown. Sensors, which are useful for monitoring the state-of-health of systems, can also be used for distinguishing between multiple failure modes as the presence of multiple failure modes results in discriminatory behavior of the sensor signals. When systems are equipped with multiple sensors, some sensors may exhibit behavior correlated with degradation, while other sensors do not. Furthermore, which sensors exhibit this behavior may differ for each failure mode. In this paper, we present a simultaneous clustering and sensor selection approach for unlabeled training datasets of systems exhibiting multiple failure modes. The cluster assignments and the selected sensors are then utilized in real-time to first diagnose the active failure mode and then to predict the system RUL. We validate the methodology using a simulated dataset of systems exhibiting two failure modes and on NASA turbofan degradation dataset.
Tangential Randomization in Linear Bandits (TRAiL): Guaranteed Inference and Regret Bounds
Authors: Arda Güçlü, Subhonmesh Bose
Date: 2024-11-19 00:00:00

We propose and analyze TRAiL (Tangential Randomization in Linear Bandits), a computationally efficient regret-optimal forced exploration algorithm for linear bandits on action sets that are sublevel sets of strongly convex functions. TRAiL estimates the governing parameter of the linear bandit problem through a standard regularized least squares and perturbs the reward-maximizing action corresponding to said point estimate along the tangent plane of the convex compact action set before projecting back to it. Exploiting concentration results for matrix martingales, we prove that TRAiL ensures a $\Omega(\sqrt{T})$ growth in the inference quality, measured via the minimum eigenvalue of the design (regressor) matrix with high-probability over a $T$-length period. We build on this result to obtain an $\mathcal{O}(\sqrt{T} \log(T))$ upper bound on cumulative regret with probability at least $ 1 - 1/T$ over $T$ periods, and compare TRAiL to other popular algorithms for linear bandits. Then, we characterize an $\Omega(\sqrt{T})$ minimax lower bound for any algorithm on the expected regret that covers a wide variety of action/parameter sets and noise processes. Our analysis not only expands the realm of lower-bounds in linear bandits significantly, but as a byproduct, yields a trade-off between regret and inference quality. Specifically, we prove that any algorithm with an $\mathcal{O}(T^\alpha)$ expected regret growth must have an $\Omega(T^{1-\alpha})$ asymptotic growth in expected inference quality. Our experiments on the $L^p$ unit ball as action sets reveal how this relation can be violated, but only in the short-run, before returning to respect the bound asymptotically. In effect, regret-minimizing algorithms must have just the right rate of inference -- too fast or too slow inference will incur sub-optimal regret growth.
Exact Risk Curves of signSGD in High-Dimensions: Quantifying Preconditioning and Noise-Compression Effects
Authors: Ke Liang Xiao, Noah Marshall, Atish Agarwala, Elliot Paquette
Date: 2024-11-19 00:00:00

In recent years, signSGD has garnered interest as both a practical optimizer as well as a simple model to understand adaptive optimizers like Adam. Though there is a general consensus that signSGD acts to precondition optimization and reshapes noise, quantitatively understanding these effects in theoretically solvable settings remains difficult. We present an analysis of signSGD in a high dimensional limit, and derive a limiting SDE and ODE to describe the risk. Using this framework we quantify four effects of signSGD: effective learning rate, noise compression, diagonal preconditioning, and gradient noise reshaping. Our analysis is consistent with experimental observations but moves beyond that by quantifying the dependence of these effects on the data and noise distributions. We conclude with a conjecture on how these results might be extended to Adam.
Fine-Grained Uncertainty Quantification via Collisions
Authors: Jesse Friedbaum, Sudarshan Adiga, Ravi Tandon
Date: 2024-11-18 00:00:00
Tasks: Uncertainty Quantification

We propose a new and intuitive metric for aleatoric uncertainty quantification (UQ), the prevalence of class collisions defined as the same input being observed in different classes. We use the rate of class collisions to define the collision matrix, a novel and uniquely fine-grained measure of uncertainty. For a classification problem involving $K$ classes, the $K\times K$ collision matrix $S$ measures the inherent difficulty in distinguishing between each pair of classes. We discuss several applications of the collision matrix, establish its fundamental mathematical properties, as well as show its relationship with existing UQ methods, including the Bayes error rate (BER). We also address the new problem of estimating the collision matrix using one-hot labeled data by proposing a series of innovative techniques to estimate $S$. First, we learn a pair-wise contrastive model which accepts two inputs and determines if they belong to the same class. We then show that this contrastive model (which is PAC learnable) can be used to estimate the Gramian matrix of $S$, defined as $G=S^TS$. Finally, we show that under reasonable assumptions, $G$ can be used to uniquely recover $S$, a new result on non-negative matrices which could be of independent interest. With a method to estimate $S$ established, we demonstrate how this estimate of $S$, in conjunction with the contrastive model, can be used to estimate the posterior class portability distribution of any point. Experimental results are also presented to validate our methods of estimating the collision matrix and class posterior distributions on several datasets.
MMBind: Unleashing the Potential of Distributed and Heterogeneous Data for Multimodal Learning in IoT
Authors: Xiaomin Ouyang, Jason Wu, Tomoyoshi Kimura, Yihan Lin, Gunjan Verma, Tarek Abdelzaher, Mani Srivastava
Date: 2024-11-18 00:00:00
Tasks: Contrastive Learning, Descriptive

Multimodal sensing systems are increasingly prevalent in various real-world applications. Most existing multimodal learning approaches heavily rely on training with a large amount of complete multimodal data. However, such a setting is impractical in real-world IoT sensing applications where data is typically collected by distributed nodes with heterogeneous data modalities, and is also rarely labeled. In this paper, we propose MMBind, a new framework for multimodal learning on distributed and heterogeneous IoT data. The key idea of MMBind is to construct a pseudo-paired multimodal dataset for model training by binding data from disparate sources and incomplete modalities through a sufficiently descriptive shared modality. We demonstrate that data of different modalities observing similar events, even captured at different times and locations, can be effectively used for multimodal training. Moreover, we propose an adaptive multimodal learning architecture capable of training models with heterogeneous modality combinations, coupled with a weighted contrastive learning approach to handle domain shifts among disparate data. Evaluations on ten real-world multimodal datasets highlight that MMBind outperforms state-of-the-art baselines under varying data incompleteness and domain shift, and holds promise for advancing multimodal foundation model training in IoT applications.
Mechanism and Emergence of Stacked Attention Heads in Multi-Layer Transformers
Authors: Tiberiu Musat
Date: 2024-11-18 00:00:00
Tasks: Retrieval

In this paper, I introduce the retrieval problem, a simple yet common reasoning task that can be solved only by transformers with a minimum number of layers, which grows logarithmically with the input size. I empirically show that large language models can solve the task under different prompting formulations without any fine-tuning. To understand how transformers solve the retrieval problem, I train several transformers on a minimal formulation. Successful learning occurs only under the presence of an implicit curriculum. I uncover the learned mechanisms by studying the attention maps in the trained transformers. I also study the training process, uncovering that attention heads always emerge in a specific sequence guided by the implicit curriculum.
Does Unlearning Truly Unlearn? A Black Box Evaluation of LLM Unlearning Methods
Authors: Jai Doshi, Asa Cooper Stickland
Date: 2024-11-18 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model

Large language model unlearning aims to remove harmful information that LLMs have learnt to prevent their use for malicious purposes. LLMU and RMU have been proposed as two methods for LLM unlearning, achieving impressive results on unlearning benchmarks. We study in detail the efficacy of these methods by evaluating their impact on general model capabilities on the WMDP benchmark as well as a biology benchmark we create. Our experiments show that RMU generally leads to better preservation of model capabilities, for similar or better unlearning. We further test the robustness of these methods and find that doing 5-shot prompting or rephrasing the question in simple ways can lead to an over ten-fold increase in accuracy on unlearning benchmarks. Finally, we show that training on unrelated data can almost completely recover pre-unlearning performance, demonstrating that these methods fail at truly unlearning. The code is available at: https://github.com/JaiDoshi/Knowledge-Erasure.
BALI: Learning Neural Networks via Bayesian Layerwise Inference
Authors: Richard Kurle, Alexej Klushyn, Ralf Herbrich
Date: 2024-11-18 00:00:00
Tasks: Out-of-Distribution Detection, regression

We introduce a new method for learning Bayesian neural networks, treating them as a stack of multivariate Bayesian linear regression models. The main idea is to infer the layerwise posterior exactly if we know the target outputs of each layer. We define these pseudo-targets as the layer outputs from the forward pass, updated by the backpropagated gradients of the objective function. The resulting layerwise posterior is a matrix-normal distribution with a Kronecker-factorized covariance matrix, which can be efficiently inverted. Our method extends to the stochastic mini-batch setting using an exponential moving average over natural-parameter terms, thus gradually forgetting older data. The method converges in few iterations and performs as well as or better than leading Bayesian neural network methods on various regression, classification, and out-of-distribution detection benchmarks.
Federated Contrastive Learning of Graph-Level Representations
Authors: Xiang Li, Gagan Agrawal, Rajiv Ramnath, Ruoming Jin
Date: 2024-11-18 00:00:00
Tasks: Clustering, Contrastive Learning, Federated Learning, Traffic Prediction

Graph-level representations (and clustering/classification based on these representations) are required in a variety of applications. Examples include identifying malicious network traffic, prediction of protein properties, and many others. Often, data has to stay in isolated local systems (i.e., cannot be centrally shared for analysis) due to a variety of considerations like privacy concerns, lack of trust between the parties, regulations, or simply because the data is too large to be shared sufficiently quickly. This points to the need for federated learning for graph-level representations, a topic that has not been explored much, especially in an unsupervised setting. Addressing this problem, this paper presents a new framework we refer to as Federated Contrastive Learning of Graph-level Representations (FCLG). As the name suggests, our approach builds on contrastive learning. However, what is unique is that we apply contrastive learning at two levels. The first application is for local unsupervised learning of graph representations. The second level is to address the challenge associated with data distribution variation (i.e. the ``Non-IID issue") when combining local models. Through extensive experiments on the downstream task of graph-level clustering, we demonstrate FCLG outperforms baselines (which apply existing federated methods on existing graph-level clustering methods) with significant margins.
Molecule Generation with Fragment Retrieval Augmentation
Authors: Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Saee Paliwal, Arash Vahdat, Weili Nie
Date: 2024-11-18 00:00:00
Tasks: Drug Discovery, RAG, Retrieval, Retrieval-augmented Generation

Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragment-based molecule generation methods show limited exploration beyond the existing fragments in the database as they only reassemble or slightly modify the given ones. To tackle this problem, we propose a new fragment-based molecule generation framework with retrieval augmentation, namely Fragment Retrieval-Augmented Generation (f-RAG). f-RAG is based on a pre-trained molecular generative model that proposes additional fragments from input fragments to complete and generate a new molecule. Given a fragment vocabulary, f-RAG retrieves two types of fragments: (1) hard fragments, which serve as building blocks that will be explicitly included in the newly generated molecule, and (2) soft fragments, which serve as reference to guide the generation of new fragments through a trainable fragment injection module. To extrapolate beyond the existing fragments, f-RAG updates the fragment vocabulary with generated fragments via an iterative refinement process which is further enhanced with post-hoc genetic fragment modification. f-RAG can achieve an improved exploration-exploitation trade-off by maintaining a pool of fragments and expanding it with novel and high-quality fragments through a strong generative prior.
Mitigating Gender Bias in Contextual Word Embeddings
Authors: Navya Yarrabelly, Vinay Damodaran, Feng-Guang Su
Date: 2024-11-18 00:00:00
Tasks: Language Modeling, Language Modelling, Masked Language Modeling, Word Embeddings

Word embeddings have been shown to produce remarkable results in tackling a vast majority of NLP related tasks. Unfortunately, word embeddings also capture the stereotypical biases that are prevalent in society, affecting the predictive performance of the embeddings when used in downstream tasks. While various techniques have been proposed \cite{bolukbasi2016man, zhao2018learning} and criticized\cite{gonen2019lipstick} for static embeddings, very little work has focused on mitigating bias in contextual embeddings. In this paper, we propose a novel objective function for MLM(Masked-Language Modeling) which largely mitigates the gender bias in contextual embeddings and also preserves the performance for downstream tasks. Since previous works on measuring bias in contextual embeddings lack in normative reasoning, we also propose novel evaluation metrics that are straight-forward and aligned with our motivations in debiasing. We also propose new methods for debiasing static embeddings and provide empirical proof via extensive analysis and experiments, as to why the main source of bias in static embeddings stems from the presence of stereotypical names rather than gendered words themselves. All experiments and embeddings studied are in English, unless otherwise specified.\citep{bender2011achieving}.
Theoretical Corrections and the Leveraging of Reinforcement Learning to Enhance Triangle Attack
Authors: Nicole Meng, Caleb Manicke, David Chen, Yingjie Lao, Caiwen Ding, Pengyu Hong, Kaleel Mahmood
Date: 2024-11-18 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

Adversarial examples represent a serious issue for the application of machine learning models in many sensitive domains. For generating adversarial examples, decision based black-box attacks are one of the most practical techniques as they only require query access to the model. One of the most recently proposed state-of-the-art decision based black-box attacks is Triangle Attack (TA). In this paper, we offer a high-level description of TA and explain potential theoretical limitations. We then propose a new decision based black-box attack, Triangle Attack with Reinforcement Learning (TARL). Our new attack addresses the limits of TA by leveraging reinforcement learning. This creates an attack that can achieve similar, if not better, attack accuracy than TA with half as many queries on state-of-the-art classifiers and defenses across ImageNet and CIFAR-10.
The Statistical Accuracy of Neural Posterior and Likelihood Estimation
Authors: David T. Frazier, Ryan Kelly, Christopher Drovandi, David J. Warne
Date: 2024-11-18 00:00:00

Neural posterior estimation (NPE) and neural likelihood estimation (NLE) are machine learning approaches that provide accurate posterior, and likelihood, approximations in complex modeling scenarios, and in situations where conducting amortized inference is a necessity. While such methods have shown significant promise across a range of diverse scientific applications, the statistical accuracy of these methods is so far unexplored. In this manuscript, we give, for the first time, an in-depth exploration on the statistical behavior of NPE and NLE. We prove that these methods have similar theoretical guarantees to common statistical methods like approximate Bayesian computation (ABC) and Bayesian synthetic likelihood (BSL). While NPE and NLE methods are just as accurate as ABC and BSL, we prove that this accuracy can often be achieved at a vastly reduced computational cost, and will therefore deliver more attractive approximations than ABC and BSL in certain problems. We verify our results theoretically and in several examples from the literature.