pwc-archive/papers-with-abstracts huggingface dataset:
Towards Sharper Information-theoretic Generalization Bounds for Meta-Learning
Authors: Wen Wen, Tieliang Gong, Yuxin Dong, Yong-Jin Liu, Weizhan Zhang
Date: 2025-01-26 00:00:00
Tasks: Generalization Bounds, Meta-Learning

In recent years, information-theoretic generalization bounds have emerged as a promising approach for analyzing the generalization capabilities of meta-learning algorithms. However, existing results are confined to two-step bounds, failing to provide a sharper characterization of the meta-generalization gap that simultaneously accounts for environment-level and task-level dependencies. This paper addresses this fundamental limitation by establishing novel single-step information-theoretic bounds for meta-learning. Our bounds exhibit substantial advantages over prior MI- and CMI-based bounds, especially in terms of tightness, scaling behavior associated with sampled tasks and samples per task, and computational tractability. Furthermore, we provide novel theoretical insights into the generalization behavior of two classes of noise and iterative meta-learning algorithms via gradient covariance analysis, where the meta-learner uses either the entire meta-training data (e.g., Reptile), or separate training and test data within the task (e.g., model agnostic meta-learning (MAML)). Numerical results validate the effectiveness of the derived bounds in capturing the generalization dynamics of meta-learning.
Commute Your Domains: Trajectory Optimality Criterion for Multi-Domain Learning
Authors: Alexey Rukhovich, Alexander Podolskiy, Irina Piontkovskaya
Date: 2025-01-26 00:00:00

In multi-domain learning, a single model is trained on diverse data domains to leverage shared knowledge and improve generalization. The order in which the data from these domains is used for training can significantly affect the model's performance on each domain. However, this dependence is under-studied. In this paper, we investigate the influence of training order (or data mixing) in multi-domain learning using the concept of Lie bracket of gradient vector fields. By analyzing the infinitesimal effects of changing the training order, we identify regions in the parameter space where altering the order between two training domains can benefit the target loss. We validate the predictions of our theoretical framework on the influence of training order (or data mixing) both on a toy example and bilingual LLM pre-training.
BoTier: Multi-Objective Bayesian Optimization with Tiered Composite Objectives
Authors: Mohammad Haddadnia, Leonie Grashoff, Felix Strieth-Kalthoff
Date: 2025-01-26 00:00:00
Tasks: Bayesian Optimization

Scientific optimization problems are usually concerned with balancing multiple competing objectives, which come as preferences over both the outcomes of an experiment (e.g. maximize the reaction yield) and the corresponding input parameters (e.g. minimize the use of an expensive reagent). Typically, practical and economic considerations define a hierarchy over these objectives, which must be reflected in algorithms for sample-efficient experiment planning. Herein, we introduce BoTier, a composite objective that can flexibly represent a hierarchy of preferences over both experiment outcomes and input parameters. We provide systematic benchmarks on synthetic and real-life surfaces, demonstrating the robust applicability of BoTier across a number of use cases. Importantly, BoTier is implemented in an auto-differentiable fashion, enabling seamless integration with the BoTorch library, thereby facilitating adoption by the scientific community.
Optimal Transport on Categorical Data for Counterfactuals using Compositional Data and Dirichlet Transport
Authors: Agathe Fernandes Machado, Arthur Charpentier, Ewen Gallic
Date: 2025-01-26 00:00:00
Tasks: counterfactual, Fairness

Recently, optimal transport-based approaches have gained attention for deriving counterfactuals, e.g., to quantify algorithmic discrimination. However, in the general multivariate setting, these methods are often opaque and difficult to interpret. To address this, alternative methodologies have been proposed, using causal graphs combined with iterative quantile regressions (Ple\v{c}ko and Meinshausen (2020)) or sequential transport (Fernandes Machado et al. (2025)) to examine fairness at the individual level, often referred to as ``counterfactual fairness.'' Despite these advancements, transporting categorical variables remains a significant challenge in practical applications with real datasets. In this paper, we propose a novel approach to address this issue. Our method involves (1) converting categorical variables into compositional data and (2) transporting these compositions within the probabilistic simplex of $\mathbb{R}^d$. We demonstrate the applicability and effectiveness of this approach through an illustration on real-world data, and discuss limitations.
Estimating the Optimal Number of Clusters in Categorical Data Clustering by Silhouette Coefficient
Authors: Duy-Tai Dinh, Tsutomu Fujinami, Van-Nam Huynh
Date: 2025-01-26 00:00:00
Tasks: Categorical data clustering, Clustering, Density Estimation

The problem of estimating the number of clusters (say k) is one of the major challenges for the partitional clustering. This paper proposes an algorithm named k-SCC to estimate the optimal k in categorical data clustering. For the clustering step, the algorithm uses the kernel density estimation approach to define cluster centers. In addition, it uses an information-theoretic based dissimilarity to measure the distance between centers and objects in each cluster. The silhouette analysis based approach is then used to evaluate the quality of different clustering obtained in the former step to choose the best k. Comparative experiments were conducted on both synthetic and real datasets to compare the performance of k-SCC with three other algorithms. Experimental results show that k-SCC outperforms the compared algorithms in determining the number of clusters for each dataset.
Estimating Committor Functions via Deep Adaptive Sampling on Rare Transition Paths
Authors: Yueyang Wang, Kejun Tang, Xili Wang, Xiaoliang Wan, Weiqing Ren, Chao Yang
Date: 2025-01-26 00:00:00

The committor functions are central to investigating rare but important events in molecular simulations. It is known that computing the committor function suffers from the curse of dimensionality. Recently, using neural networks to estimate the committor function has gained attention due to its potential for high-dimensional problems. Training neural networks to approximate the committor function needs to sample transition data from straightforward simulations of rare events, which is very inefficient. The scarcity of transition data makes it challenging to approximate the committor function. To address this problem, we propose an efficient framework to generate data points in the transition state region that helps train neural networks to approximate the committor function. We design a Deep Adaptive Sampling method for TRansition paths (DASTR), where deep generative models are employed to generate samples to capture the information of transitions effectively. In particular, we treat a non-negative function in the integrand of the loss functional as an unnormalized probability density function and approximate it with the deep generative model. The new samples from the deep generative model are located in the transition state region and fewer samples are located in the other region. This distribution provides effective samples for approximating the committor function and significantly improves the accuracy. We demonstrate the effectiveness of the proposed method through both simulations and realistic examples.
One Model to Forecast Them All and in Entity Distributions Bind Them
Authors: Kutay Bölat, Simon Tindemans
Date: 2025-01-26 00:00:00
Tasks: All, quantile regression

Probabilistic forecasting in power systems often involves multi-entity datasets like households, feeders, and wind turbines, where generating reliable entity-specific forecasts presents significant challenges. Traditional approaches require training individual models for each entity, making them inefficient and hard to scale. This study addresses this problem using GUIDE-VAE, a conditional variational autoencoder that allows entity-specific probabilistic forecasting using a single model. GUIDE-VAE provides flexible outputs, ranging from interpretable point estimates to full probability distributions, thanks to its advanced covariance composition structure. These distributions capture uncertainty and temporal dependencies, offering richer insights than traditional methods. To evaluate our GUIDE-VAE-based forecaster, we use household electricity consumption data as a case study due to its multi-entity and highly stochastic nature. Experimental results demonstrate that GUIDE-VAE outperforms conventional quantile regression techniques across key metrics while ensuring scalability and versatility. These features make GUIDE-VAE a powerful and generalizable tool for probabilistic forecasting tasks, with potential applications beyond household electricity consumption.
RLER-TTE: An Efficient and Effective Framework for En Route Travel Time Estimation with Reinforcement Learning
Authors: Zhihan Zheng, Haitao Yuan, Minxiao Chen, Shangguang Wang
Date: 2025-01-26 00:00:00
Tasks: Decision Making, Travel Time Estimation

En Route Travel Time Estimation (ER-TTE) aims to learn driving patterns from traveled routes to achieve rapid and accurate real-time predictions. However, existing methods ignore the complexity and dynamism of real-world traffic systems, resulting in significant gaps in efficiency and accuracy in real-time scenarios. Addressing this issue is a critical yet challenging task. This paper proposes a novel framework that redefines the implementation path of ER-TTE to achieve highly efficient and effective predictions. Firstly, we introduce a novel pipeline consisting of a Decision Maker and a Predictor to rectify the inefficient prediction strategies of current methods. The Decision Maker performs efficient real-time decisions to determine whether the high-complexity prediction model in the Predictor needs to be invoked, and the Predictor recalculates the travel time or infers from historical prediction results based on these decisions. Next, to tackle the dynamic and uncertain real-time scenarios, we model the online decision-making problem as a Markov decision process and design an intelligent agent based on reinforcement learning for autonomous decision-making. Moreover, to fully exploit the spatio-temporal correlation between online data and offline data, we meticulously design feature representation and encoding techniques based on the attention mechanism. Finally, to improve the flawed training and evaluation strategies of existing methods, we propose an end-to-end training and evaluation approach, incorporating curriculum learning strategies to manage spatio-temporal data for more advanced training algorithms. Extensive evaluations on three real-world datasets confirm that our method significantly outperforms state-of-the-art solutions in both accuracy and efficiency.
LoRAGuard: An Effective Black-box Watermarking Approach for LoRAs
Authors: Peizhuo Lv, Yiran Xiahou, Congyi Li, Mengjie Sun, Shengzhi Zhang, Kai Chen, Yingjun Zhang
Date: 2025-01-26 00:00:00
Tasks: Negation, parameter-efficient fine-tuning

LoRA (Low-Rank Adaptation) has achieved remarkable success in the parameter-efficient fine-tuning of large models. The trained LoRA matrix can be integrated with the base model through addition or negation operation to improve performance on downstream tasks. However, the unauthorized use of LoRAs to generate harmful content highlights the need for effective mechanisms to trace their usage. A natural solution is to embed watermarks into LoRAs to detect unauthorized misuse. However, existing methods struggle when multiple LoRAs are combined or negation operation is applied, as these can significantly degrade watermark performance. In this paper, we introduce LoRAGuard, a novel black-box watermarking technique for detecting unauthorized misuse of LoRAs. To support both addition and negation operations, we propose the Yin-Yang watermark technique, where the Yin watermark is verified during negation operation and the Yang watermark during addition operation. Additionally, we propose a shadow-model-based watermark training approach that significantly improves effectiveness in scenarios involving multiple integrated LoRAs. Extensive experiments on both language and diffusion models show that LoRAGuard achieves nearly 100% watermark verification success and demonstrates strong effectiveness.
Mamba-Based Graph Convolutional Networks: Tackling Over-smoothing with Selective State Space
Authors: Xin He, Yili Wang, Wenqi Fan, Xu Shen, Xin Juan, Rui Miao, Xin Wang
Date: 2025-01-26 00:00:00
Tasks: Graph Neural Network, Graph Representation Learning, Mamba, Node Classification, Representation Learning

Graph Neural Networks (GNNs) have shown great success in various graph-based learning tasks. However, it often faces the issue of over-smoothing as the model depth increases, which causes all node representations to converge to a single value and become indistinguishable. This issue stems from the inherent limitations of GNNs, which struggle to distinguish the importance of information from different neighborhoods. In this paper, we introduce MbaGCN, a novel graph convolutional architecture that draws inspiration from the Mamba paradigm-originally designed for sequence modeling. MbaGCN presents a new backbone for GNNs, consisting of three key components: the Message Aggregation Layer, the Selective State Space Transition Layer, and the Node State Prediction Layer. These components work in tandem to adaptively aggregate neighborhood information, providing greater flexibility and scalability for deep GNN models. While MbaGCN may not consistently outperform all existing methods on each dataset, it provides a foundational framework that demonstrates the effective integration of the Mamba paradigm into graph representation learning. Through extensive experiments on benchmark datasets, we demonstrate that MbaGCN paves the way for future advancements in graph neural network research.
Amortized Safe Active Learning for Real-Time Data Acquisition: Pretrained Neural Policies from Simulated Nonparametric Functions
Authors: Cen-You Li, Marc Toussaint, Barbara Rakitsch, Christoph Zimmer
Date: 2025-01-26 00:00:00
Tasks: Active Learning, Decision Making, Experimental Design, Gaussian Processes

Safe active learning (AL) is a sequential scheme for learning unknown systems while respecting safety constraints during data acquisition. Existing methods often rely on Gaussian processes (GPs) to model the task and safety constraints, requiring repeated GP updates and constrained acquisition optimization-incurring in significant computations which are challenging for real-time decision-making. We propose an amortized safe AL framework that replaces expensive online computations with a pretrained neural policy. Inspired by recent advances in amortized Bayesian experimental design, we turn GPs into a pretraining simulator. We train our policy prior to the AL deployment on simulated nonparametric functions, using Fourier feature-based GP sampling and a differentiable, safety-aware acquisition objective. At deployment, our policy selects safe and informative queries via a single forward pass, eliminating the need for GP inference or constrained optimization. This leads to substantial speed improvements while preserving safety and learning quality. Our framework is modular and can be adapted to unconstrained, time-sensitive AL tasks by omitting the safety requirement.
Scaling of hardware-compatible perturbative training algorithms
Authors: Bakhrom G. Oripov, Andrew Dienstfrey, Adam N. McCaughan, Sonia M. Buckley
Date: 2025-01-26 00:00:00

In this work, we explore the capabilities of multiplexed gradient descent (MGD), a scalable and efficient perturbative zeroth-order training method for estimating the gradient of a loss function in hardware and training it via stochastic gradient descent. We extend the framework to include both weight and node perturbation, and discuss the advantages and disadvantages of each approach. We investigate the time to train networks using MGD as a function of network size and task complexity. Previous research has suggested that perturbative training methods do not scale well to large problems, since in these methods the time to estimate the gradient scales linearly with the number of network parameters. However, in this work we show that the time to reach a target accuracy--that is, actually solve the problem of interest--does not follow this undesirable linear scaling, and in fact often decreases with network size. Furthermore, we demonstrate that MGD can be used to calculate a drop-in replacement for the gradient in stochastic gradient descent, and therefore optimization accelerators such as momentum can be used alongside MGD, ensuring compatibility with existing machine learning practices. Our results indicate that MGD can efficiently train large networks on hardware, achieving accuracy comparable to backpropagation, thus presenting a practical solution for future neuromorphic computing systems.
Guaranteed Multidimensional Time Series Prediction via Deterministic Tensor Completion Theory
Authors: Hao Shu, Jicheng Li, Yu Jin, Hailin Wang
Date: 2025-01-26 00:00:00
Tasks: Computational Efficiency, Prediction, Tensor Decomposition, Time Series, Time Series Prediction

In recent years, the prediction of multidimensional time series data has become increasingly important due to its wide-ranging applications. Tensor-based prediction methods have gained attention for their ability to preserve the inherent structure of such data. However, existing approaches, such as tensor autoregression and tensor decomposition, often have consistently failed to provide clear assertions regarding the number of samples that can be exactly predicted. While matrix-based methods using nuclear norms address this limitation, their reliance on matrices limits accuracy and increases computational costs when handling multidimensional data. To overcome these challenges, we reformulate multidimensional time series prediction as a deterministic tensor completion problem and propose a novel theoretical framework. Specifically, we develop a deterministic tensor completion theory and introduce the Temporal Convolutional Tensor Nuclear Norm (TCTNN) model. By convolving the multidimensional time series along the temporal dimension and applying the tensor nuclear norm, our approach identifies the maximum forecast horizon for exact predictions. Additionally, TCTNN achieves superior performance in prediction accuracy and computational efficiency compared to existing methods across diverse real-world datasets, including climate temperature, network flow, and traffic ride data. Our implementation is publicly available at https://github.com/HaoShu2000/TCTNN.
A Transfer Learning Framework for Anomaly Detection in Multivariate IoT Traffic Data
Authors: Mahshid Rezakhani, Tolunay Seyfi, Fatemeh Afghah
Date: 2025-01-26 00:00:00
Tasks: Anomaly Detection, Intrusion Detection, Time Series, Transfer Learning

In recent years, rapid technological advancements and expanded Internet access have led to a significant rise in anomalies within network traffic and time-series data. Prompt detection of these irregularities is crucial for ensuring service quality, preventing financial losses, and maintaining robust security standards. While machine learning algorithms have shown promise in achieving high accuracy for anomaly detection, their performance is often constrained by the specific conditions of their training data. A persistent challenge in this domain is the scarcity of labeled data for anomaly detection in time-series datasets. This limitation hampers the training efficacy of both traditional machine learning and advanced deep learning models. To address this, unsupervised transfer learning emerges as a viable solution, leveraging unlabeled data from a source domain to identify anomalies in an unlabeled target domain. However, many existing approaches still depend on a small amount of labeled data from the target domain. To overcome these constraints, we propose a transfer learning-based model for anomaly detection in multivariate time-series datasets. Unlike conventional methods, our approach does not require labeled data in either the source or target domains. Empirical evaluations on novel intrusion detection datasets demonstrate that our model outperforms existing techniques in accurately identifying anomalies within an entirely unlabeled target domain.
Decentralized Low-Rank Fine-Tuning of Large Language Models
Authors: Sajjad Ghiasvand, Mahnoosh Alizadeh, Ramtin Pedarsani
Date: 2025-01-26 00:00:00
Tasks: Federated Learning, parameter-efficient fine-tuning, Privacy Preserving, Quantization

The emergence of Large Language Models (LLMs) such as GPT-4, LLaMA, and BERT has transformed artificial intelligence, enabling advanced capabilities across diverse applications. While parameter-efficient fine-tuning (PEFT) techniques like LoRA offer computationally efficient adaptations of these models, their practical deployment often assumes centralized data and training environments. However, real-world scenarios frequently involve distributed, privacy-sensitive datasets that require decentralized solutions. Federated learning (FL) addresses data privacy by coordinating model updates across clients, but it is typically based on centralized aggregation through a parameter server, which can introduce bottlenecks and communication constraints. Decentralized learning, in contrast, eliminates this dependency by enabling direct collaboration between clients, improving scalability and efficiency in distributed environments. Despite its advantages, decentralized LLM fine-tuning remains underexplored. In this work, we propose \texttt{Dec-LoRA}, an algorithm for decentralized fine-tuning of LLMs based on low-rank adaptation (LoRA). Through extensive experiments on BERT and LLaMA-2 models, we evaluate \texttt{Dec-LoRA}'s performance in handling data heterogeneity and quantization constraints, enabling scalable, privacy-preserving LLM fine-tuning in decentralized settings.
Federated Class-Incremental Learning: A Hybrid Approach Using Latent Exemplars and Data-Free Techniques to Address Local and Global Forgetting
Authors: Milad Khademi Nori, Il-Min Kim, Guanghui Wang
Date: 2025-01-26 00:00:00
Tasks: class-incremental learning, Class Incremental Learning, Decoder, Incremental Learning

Federated Class-Incremental Learning (FCIL) refers to a scenario where a dynamically changing number of clients collaboratively learn an ever-increasing number of incoming tasks. FCIL is known to suffer from local forgetting due to class imbalance at each client and global forgetting due to class imbalance across clients. We develop a mathematical framework for FCIL that formulates local and global forgetting. Then, we propose an approach called Hybrid Rehearsal (HR), which utilizes latent exemplars and data-free techniques to address local and global forgetting, respectively. HR employs a customized autoencoder designed for both data classification and the generation of synthetic data. To determine the embeddings of new tasks for all clients in the latent space of the encoder, the server uses the Lennard-Jones Potential formulations. Meanwhile, at the clients, the decoder decodes the stored low-dimensional latent space exemplars back to the high-dimensional input space, used to address local forgetting. To overcome global forgetting, the decoder generates synthetic data. Furthermore, our mathematical framework proves that our proposed approach HR can, in principle, tackle the two local and global forgetting challenges. In practice, extensive experiments demonstrate that while preserving privacy, our proposed approach outperforms the state-of-the-art baselines on multiple FCIL benchmarks with low compute and memory footprints.