pwc-archive/papers-with-abstracts huggingface dataset:
Provably Reliable Conformal Prediction Sets in the Presence of Data Poisoning
Authors: Yan Scholten, Stephan Günnemann
Date: 2024-10-13 00:00:00
Tasks: Conformal Prediction, Data Poisoning, image-classification, Image Classification, Prediction, Uncertainty Quantification

Conformal prediction provides model-agnostic and distribution-free uncertainty quantification through prediction sets that are guaranteed to include the ground truth with any user-specified probability. Yet, conformal prediction is not reliable under poisoning attacks where adversaries manipulate both training and calibration data, which can significantly alter prediction sets in practice. As a solution, we propose reliable prediction sets (RPS): the first efficient method for constructing conformal prediction sets with provable reliability guarantees under poisoning. To ensure reliability under training poisoning, we introduce smoothed score functions that reliably aggregate predictions of classifiers trained on distinct partitions of the training data. To ensure reliability under calibration poisoning, we construct multiple prediction sets, each calibrated on distinct subsets of the calibration data. We then aggregate them into a majority prediction set, which includes a class only if it appears in a majority of the individual sets. Both proposed aggregations mitigate the influence of datapoints in the training and calibration data on the final prediction set. We experimentally validate our approach on image classification tasks, achieving strong reliability while maintaining utility and preserving coverage on clean data. Overall, our approach represents an important step towards more trustworthy uncertainty quantification in the presence of data poisoning.
Towards characterizing the value of edge embeddings in Graph Neural Networks
Authors: Dhruv Rohatgi, Tanya Marwah, Zachary Chase Lipton, Jianfeng Lu, Ankur Moitra, Andrej Risteski
Date: 2024-10-13 00:00:00

Graph neural networks (GNNs) are the dominant approach to solving machine learning problems defined over graphs. Despite much theoretical and empirical work in recent years, our understanding of finer-grained aspects of architectural design for GNNs remains impoverished. In this paper, we consider the benefits of architectures that maintain and update edge embeddings. On the theoretical front, under a suitable computational abstraction for a layer in the model, as well as memory constraints on the embeddings, we show that there are natural tasks on graphical models for which architectures leveraging edge embeddings can be much shallower. Our techniques are inspired by results on time-space tradeoffs in theoretical computer science. Empirically, we show architectures that maintain edge embeddings almost always improve on their node-based counterparts -- frequently significantly so in topologies that have ``hub'' nodes.
Symmetry Discovery for Different Data Types
Authors: Lexiang Hu, Yikang Li, Zhouchen Lin
Date: 2024-10-13 00:00:00

Equivariant neural networks incorporate symmetries into their architecture, achieving higher generalization performance. However, constructing equivariant neural networks typically requires prior knowledge of data types and symmetries, which is difficult to achieve in most tasks. In this paper, we propose LieSD, a method for discovering symmetries via trained neural networks which approximate the input-output mappings of the tasks. It characterizes equivariance and invariance (a special case of equivariance) of continuous groups using Lie algebra and directly solves the Lie algebra space through the inputs, outputs, and gradients of the trained neural network. Then, we extend the method to make it applicable to multi-channel data and tensor data, respectively. We validate the performance of LieSD on tasks with symmetries such as the two-body problem, the moment of inertia matrix prediction, and top quark tagging. Compared with the baseline, LieSD can accurately determine the number of Lie algebra bases without the need for expensive group sampling. Furthermore, LieSD can perform well on non-uniform datasets, whereas methods based on GANs fail.
Learning Pattern-Specific Experts for Time Series Forecasting Under Patch-level Distribution Shift
Authors: Yanru Sun, Zongxia Xie, Emadeldeen Eldele, Dongyue Chen, QinGhua Hu, Min Wu
Date: 2024-10-13 00:00:00
Tasks: Time Series, Time Series Forecasting

Time series forecasting, which aims to predict future values based on historical data, has garnered significant attention due to its broad range of applications. However, real-world time series often exhibit complex non-uniform distribution with varying patterns across segments, such as season, operating condition, or semantic meaning, making accurate forecasting challenging. Existing approaches, which typically train a single model to capture all these diverse patterns, often struggle with the pattern drifts between patches and may lead to poor generalization. To address these challenges, we propose \textbf{TFPS}, a novel architecture that leverages pattern-specific experts for more accurate and adaptable time series forecasting. TFPS employs a dual-domain encoder to capture both time-domain and frequency-domain features, enabling a more comprehensive understanding of temporal dynamics. It then uses subspace clustering to dynamically identify distinct patterns across data patches. Finally, pattern-specific experts model these unique patterns, delivering tailored predictions for each patch. By explicitly learning and adapting to evolving patterns, TFPS achieves significantly improved forecasting accuracy. Extensive experiments on real-world datasets demonstrate that TFPS outperforms state-of-the-art methods, particularly in long-term forecasting, through its dynamic and pattern-aware learning approach. The data and codes are available: \url{https://github.com/syrGitHub/TFPS}.
Simultaneous Computation and Memory Efficient Zeroth-Order Optimizer for Fine-Tuning Large Language Models
Authors: Fei Wang, Li Shen, Liang Ding, Chao Xue, Ye Liu, Changxing Ding
Date: 2024-10-13 00:00:00
Tasks: SST-2

Fine-tuning is powerful for adapting large language models to downstream tasks, but it often results in huge memory usages. A promising approach to mitigate this is using Zeroth-Order (ZO) optimization, which estimates gradients to replace First-Order (FO) gradient calculations, albeit with longer training time due to its stochastic nature. By revisiting the Memory-efficient ZO (MeZO) optimizer, we discover that the full-parameter perturbation and updating processes consume over 50% of its overall fine-tuning time cost. Based on these observations, we introduce a novel layer-wise sparse computation and memory efficient ZO optimizer, named LeZO. LeZO treats layers as fundamental units for sparsification and dynamically perturbs different parameter subsets in each step to achieve full-parameter fine-tuning. LeZO incorporates layer-wise parameter sparsity in the process of simultaneous perturbation stochastic approximation (SPSA) and ZO stochastic gradient descent (ZO-SGD). It achieves accelerated computation during perturbation and updating processes without additional memory overhead. We conduct extensive experiments with the OPT model family on the SuperGLUE benchmark and two generative tasks. The experiments show that LeZO accelerates training without compromising the performance of ZO optimization. Specifically, it achieves over 3x speedup compared to MeZO on the SST-2, BoolQ, and Copa tasks.
ContextWIN: Whittle Index Based Mixture-of-Experts Neural Model For Restless Bandits Via Deep RL
Authors: Zhanqiu Guo, Wayne Wang
Date: 2024-10-13 00:00:00
Tasks: Decision Making, Mixture-of-Experts, Recommendation Systems

This study introduces ContextWIN, a novel architecture that extends the Neural Whittle Index Network (NeurWIN) model to address Restless Multi-Armed Bandit (RMAB) problems with a context-aware approach. By integrating a mixture of experts within a reinforcement learning framework, ContextWIN adeptly utilizes contextual information to inform decision-making in dynamic environments, particularly in recommendation systems. A key innovation is the model's ability to assign context-specific weights to a subset of NeurWIN networks, thus enhancing the efficiency and accuracy of the Whittle index computation for each arm. The paper presents a thorough exploration of ContextWIN, from its conceptual foundation to its implementation and potential applications. We delve into the complexities of RMABs and the significance of incorporating context, highlighting how ContextWIN effectively harnesses these elements. The convergence of both the NeurWIN and ContextWIN models is rigorously proven, ensuring theoretical robustness. This work lays the groundwork for future advancements in applying contextual information to complex decision-making scenarios, recognizing the need for comprehensive dataset exploration and environment development for full potential realization.
Stability and Sharper Risk Bounds with Convergence Rate $O(1/n^2)$
Authors: Bowei Zhu, Shaojie Li, Yong liu
Date: 2024-10-13 00:00:00

The sharpest known high probability excess risk bounds are up to $O\left( 1/n \right)$ for empirical risk minimization and projected gradient descent via algorithmic stability (Klochkov \& Zhivotovskiy, 2021). In this paper, we show that high probability excess risk bounds of order up to $O\left( 1/n^2 \right)$ are possible. We discuss how high probability excess risk bounds reach $O\left( 1/n^2 \right)$ under strongly convexity, smoothness and Lipschitz continuity assumptions for empirical risk minimization, projected gradient descent and stochastic gradient descent. Besides, to the best of our knowledge, our high probability results on the generalization gap measured by gradients for nonconvex problems are also the sharpest.
Targeted Vaccine: Safety Alignment for Large Language Models against Harmful Fine-Tuning via Layer-wise Perturbation
Authors: Guozhi Liu, Weiwei Lin, Tiansheng Huang, Ruichao Mo, Qi Mu, Li Shen
Date: 2024-10-13 00:00:00
Tasks: Safety Alignment, TAR

Harmful fine-tuning attack poses a serious threat to the online fine-tuning service. Vaccine, a recent alignment-stage defense, applies uniform perturbation to all layers of embedding to make the model robust to the simulated embedding drift. However, applying layer-wise uniform perturbation may lead to excess perturbations for some particular safety-irrelevant layers, resulting in defense performance degradation and unnecessary memory consumption. To address this limitation, we propose Targeted Vaccine (T-Vaccine), a memory-efficient safety alignment method that applies perturbation to only selected layers of the model. T-Vaccine follows two core steps: First, it uses gradient norm as a statistical metric to identify the safety-critical layers. Second, instead of applying uniform perturbation across all layers, T-Vaccine only applies perturbation to the safety-critical layers while keeping other layers frozen during training. Results show that T-Vaccine outperforms Vaccine in terms of both defense effectiveness and resource efficiency. Comparison with other defense baselines, e.g., RepNoise and TAR also demonstrate the superiority of T-Vaccine. Notably, T-Vaccine is the first defense that can address harmful fine-tuning issues for a 7B pre-trained models trained on consumer GPUs with limited memory (e.g., RTX 4090). Our code is available at https://github.com/Lslland/T-Vaccine.
BiDoRA: Bi-level Optimization-Based Weight-Decomposed Low-Rank Adaptation
Authors: Peijia Qin, Ruiyi Zhang, Pengtao Xie
Date: 2024-10-13 00:00:00
Tasks: Natural Language Understanding, parameter-efficient fine-tuning, Text Generation, token-classification, Token Classification

Parameter-efficient fine-tuning (PEFT) of large language models (LLMs) has gained considerable attention as a flexible and efficient way of adapting LLMs to downstream tasks. Among these methods, weighted decomposed low-rank adaptation (DoRA) has emerged as a promising approach. DoRA bridges the gap between low-rank adaptation (LoRA) and full fine-tuning (FT) by decomposing the weight matrices into magnitude and direction components, thereby maintaining learning behavior similar to FT. Although DoRA shows encouraging performance, it introduces additional parameters compared to LoRA, which potentially increases the risk of overfitting. Moreover, optimizing magnitude and direction simultaneously leads to a coupled gradient updating pattern for both components, limiting its learning capacity. To overcome these limitations, we propose BiDoRA, a bi-level optimization-based PEFT method. In BiDoRA, the direction and magnitude components are optimized on two distinct datasets at different optimization levels, mitigating the risk of overfitting. Additionally, the asynchronous optimization of the two components promotes their decoupling, allowing for more flexible gradient updates suitable for various downstream tasks. Evaluation of BiDoRA on fourteen datasets spanning natural language understanding, natural language generation, and token classification reveals that it significantly outperforms DoRA and other PEFT methods. The superior performance of BiDoRA underscores its effectiveness. The code for BiDoRA is available at https://anonymous.4open.science/r/BiDoRA-5D31.
Comparison of Machine Learning Approaches for Classifying Spinodal Events
Authors: Ashwini Malviya, Sparsh Mittal
Date: 2024-10-13 00:00:00

In this work, we compare the performance of deep learning models for classifying the spinodal dataset. We evaluate state-of-the-art models (MobileViT, NAT, EfficientNet, CNN), alongside several ensemble models (majority voting, AdaBoost). Additionally, we explore the dataset in a transformed color space. Our findings show that NAT and MobileViT outperform other models, achieving the highest metrics-accuracy, AUC, and F1 score on both training and testing data (NAT: 94.65, 0.98, 0.94; MobileViT: 94.20, 0.98, 0.94), surpassing the earlier CNN model (88.44, 0.95, 0.88). We also discuss failure cases for the top performing models.
Real-time Fuel Leakage Detection via Online Change Point Detection
Authors: Ruimin Chu, Li Chik, Yiliao Song, Jeffrey Chan, XiaoDong Li
Date: 2024-10-13 00:00:00
Tasks: Change Point Detection

Early detection of fuel leakage at service stations with underground petroleum storage systems is a crucial task to prevent catastrophic hazards. Current data-driven fuel leakage detection methods employ offline statistical inventory reconciliation, leading to significant detection delays. Consequently, this can result in substantial financial loss and environmental impact on the surrounding community. In this paper, we propose a novel framework called Memory-based Online Change Point Detection (MOCPD) which operates in near real-time, enabling early detection of fuel leakage. MOCPD maintains a collection of representative historical data within a size-constrained memory, along with an adaptively computed threshold. Leaks are detected when the dissimilarity between the latest data and historical memory exceeds the current threshold. An update phase is incorporated in MOCPD to ensure diversity among historical samples in the memory. With this design, MOCPD is more robust and achieves a better recall rate while maintaining a reasonable precision score. We have conducted a variety of experiments comparing MOCPD to commonly used online change point detection (CPD) baselines on real-world fuel variance data with induced leakages, actual fuel leakage data and benchmark CPD datasets. Overall, MOCPD consistently outperforms the baseline methods in terms of detection accuracy, demonstrating its applicability to fuel leakage detection and CPD problems.
Towards Stable, Globally Expressive Graph Representations with Laplacian Eigenvectors
Authors: Junru Zhou, Cai Zhou, Xiyuan Wang, Pan Li, Muhan Zhang
Date: 2024-10-13 00:00:00
Tasks: Graph Learning

Graph neural networks (GNNs) have achieved remarkable success in a variety of machine learning tasks over graph data. Existing GNNs usually rely on message passing, i.e., computing node representations by gathering information from the neighborhood, to build their underlying computational graphs. They are known fairly limited in expressive power, and often fail to capture global characteristics of graphs. To overcome the issue, a popular solution is to use Laplacian eigenvectors as additional node features, as they contain global positional information of nodes, and can serve as extra node identifiers aiding GNNs to separate structurally similar nodes. For such an approach, properly handling the orthogonal group symmetry among eigenvectors with equal eigenvalue is crucial for its stability and generalizability. However, using a naive orthogonal group invariant encoder for each separate eigenspace may not keep the full expressivity in the Laplacian eigenvectors. Moreover, computing such invariants inevitably entails a hard split of Laplacian eigenvalues according to their numerical identity, which suffers from great instability when the graph structure is perturbed. In this paper, we propose a novel method exploiting Laplacian eigenvectors to generate stable and globally expressive graph representations. The main difference from previous works is that (i) our method utilizes learnable orthogonal group invariant representations for each Laplacian eigenspace, based upon powerful orthogonal group equivariant neural network layers already well studied in the literature, and that (ii) our method deals with numerically close eigenvalues in a smooth fashion, ensuring its better robustness against perturbations. Experiments on various graph learning benchmarks witness the competitive performance of our method, especially its great potential to learn global properties of graphs.
Meta-Reinforcement Learning with Universal Policy Adaptation: Provable Near-Optimality under All-task Optimum Comparator
Authors: Siyuan Xu, Minghui Zhu
Date: 2024-10-13 00:00:00
Tasks: All, Bilevel Optimization, Meta Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Meta-reinforcement learning (Meta-RL) has attracted attention due to its capability to enhance reinforcement learning (RL) algorithms, in terms of data efficiency and generalizability. In this paper, we develop a bilevel optimization framework for meta-RL (BO-MRL) to learn the meta-prior for task-specific policy adaptation, which implements multiple-step policy optimization on one-time data collection. Beyond existing meta-RL analyses, we provide upper bounds of the expected optimality gap over the task distribution. This metric measures the distance of the policy adaptation from the learned meta-prior to the task-specific optimum, and quantifies the model's generalizability to the task distribution. We empirically validate the correctness of the derived upper bounds and demonstrate the superior effectiveness of the proposed algorithm over benchmarks.
Flying Quadrotors in Tight Formations using Learning-based Model Predictive Control
Authors: Kong Yao Chee, Pei-An Hsieh, George J. Pappas, M. Ani Hsieh
Date: 2024-10-13 00:00:00
Tasks: Model Predictive Control

Flying quadrotors in tight formations is a challenging problem. It is known that in the near-field airflow of a quadrotor, the aerodynamic effects induced by the propellers are complex and difficult to characterize. Although machine learning tools can potentially be used to derive models that capture these effects, these data-driven approaches can be sample inefficient and the resulting models often do not generalize as well as their first-principles counterparts. In this work, we propose a framework that combines the benefits of first-principles modeling and data-driven approaches to construct an accurate and sample efficient representation of the complex aerodynamic effects resulting from quadrotors flying in formation. The data-driven component within our model is lightweight, making it amenable for optimization-based control design. Through simulations and physical experiments, we show that incorporating the model into a novel learning-based nonlinear model predictive control (MPC) framework results in substantial performance improvements in terms of trajectory tracking and disturbance rejection. In particular, our framework significantly outperforms nominal MPC in physical experiments, achieving a 40.1% improvement in the average trajectory tracking errors and a 57.5% reduction in the maximum vertical separation errors. Our framework also achieves exceptional sample efficiency, using only a total of 46 seconds of flight data for training across both simulations and physical experiments. Furthermore, with our proposed framework, the quadrotors achieve an exceptionally tight formation, flying with an average separation of less than 1.5 body lengths throughout the flight. A video illustrating our framework and physical experiments is given here: https://youtu.be/Hv-0JiVoJGo
Control the GNN: Utilizing Neural Controller with Lyapunov Stability for Test-Time Feature Reconstruction
Authors: Jielong Yang, Rui Ding, Feng Ji, Hongbin Wang, Linbo Xie
Date: 2024-10-13 00:00:00

The performance of graph neural networks (GNNs) is susceptible to discrepancies between training and testing sample distributions. Prior studies have attempted to mitigating the impact of distribution shift by reconstructing node features during the testing phase without modifying the model parameters. However, these approaches lack theoretical analysis of the proximity between predictions and ground truth at test time. In this paper, we propose a novel node feature reconstruction method grounded in Lyapunov stability theory. Specifically, we model the GNN as a control system during the testing phase, considering node features as control variables. A neural controller that adheres to the Lyapunov stability criterion is then employed to reconstruct these node features, ensuring that the predictions progressively approach the ground truth at test time. We validate the effectiveness of our approach through extensive experiments across multiple datasets, demonstrating significant performance improvements.
Learning from the past: predicting critical transitions with machine learning trained on surrogates of historical data
Authors: Zhiqin Ma, Chunhua Zeng, Yi-Cheng Zhang, Thomas M. Bury
Date: 2024-10-13 00:00:00
Tasks: Decision Making, Sociology, Specificity

Complex systems can undergo critical transitions, where slowly changing environmental conditions trigger a sudden shift to a new, potentially catastrophic state. Early warning signals for these events are crucial for decision-making in fields such as ecology, biology and climate science. Generic early warning signals motivated by dynamical systems theory have had mixed success on real noisy data. More recent studies found that deep learning classifiers trained on synthetic data could improve performance. However, neither of these methods take advantage of historical, system-specific data. Here, we introduce an approach that trains machine learning classifiers directly on surrogate data of past transitions, namely surrogate data-based machine learning (SDML). The approach provides early warning signals in empirical and experimental data from geology, climatology, sociology, and cardiology with higher sensitivity and specificity than two widely used generic early warning signals -- variance and lag-1 autocorrelation. Since the approach is trained directly on surrogates of historical data, it is not bound by the restricting assumption of a local bifurcation like previous methods. This system-specific approach can contribute to improved early warning signals to help humans better prepare for or avoid undesirable critical transitions.