pwc-archive/papers-with-abstracts huggingface dataset:
Bisimulation Metrics are Optimal Transport Distances, and Can be Computed Efficiently
Authors: Sergio Calo, Anders Jonsson, Gergely Neu, Ludovic Schwartz, Javier Segovia
Date: 2024-06-06 00:00:00

We propose a new framework for formulating optimal transport distances between Markov chains. Previously known formulations studied couplings between the entire joint distribution induced by the chains, and derived solutions via a reduction to dynamic programming (DP) in an appropriately defined Markov decision process. This formulation has, however, not led to particularly efficient algorithms so far, since computing the associated DP operators requires fully solving a static optimal transport problem, and these operators need to be applied numerous times during the overall optimization process. In this work, we develop an alternative perspective by considering couplings between a flattened version of the joint distributions that we call discounted occupancy couplings, and show that calculating optimal transport distances in the full space of joint distributions can be equivalently formulated as solving a linear program (LP) in this reduced space. This LP formulation allows us to port several algorithmic ideas from other areas of optimal transport theory. In particular, our formulation makes it possible to introduce an appropriate notion of entropy regularization into the optimization problem, which in turn enables us to directly calculate optimal transport distances via a Sinkhorn-like method we call Sinkhorn Value Iteration (SVI). We show both theoretically and empirically that this method converges quickly to an optimal coupling, essentially at the same computational cost of running vanilla Sinkhorn in each pair of states. Along the way, we point out that our optimal transport distance exactly matches the common notion of bisimulation metrics between Markov chains, and thus our results also apply to computing such metrics, and in fact our algorithm turns out to be significantly more efficient than the best known methods developed so far for this purpose.
Slicing Mutual Information Generalization Bounds for Neural Networks
Authors: Kimia Nadjahi, Kristjan Greenewald, Rickard Brüel Gabrielsson, Justin Solomon
Date: 2024-06-06 00:00:00
Tasks: Generalization Bounds, Model Compression

The ability of machine learning (ML) algorithms to generalize well to unseen data has been studied through the lens of information theory, by bounding the generalization error with the input-output mutual information (MI), i.e., the MI between the training data and the learned hypothesis. Yet, these bounds have limited practicality for modern ML applications (e.g., deep learning), due to the difficulty of evaluating MI in high dimensions. Motivated by recent findings on the compressibility of neural networks, we consider algorithms that operate by slicing the parameter space, i.e., trained on random lower-dimensional subspaces. We introduce new, tighter information-theoretic generalization bounds tailored for such algorithms, demonstrating that slicing improves generalization. Our bounds offer significant computational and statistical advantages over standard MI bounds, as they rely on scalable alternative measures of dependence, i.e., disintegrated mutual information and $k$-sliced mutual information. Then, we extend our analysis to algorithms whose parameters do not need to exactly lie on random subspaces, by leveraging rate-distortion theory. This strategy yields generalization bounds that incorporate a distortion term measuring model compressibility under slicing, thereby tightening existing bounds without compromising performance or requiring model compression. Building on this, we propose a regularization scheme enabling practitioners to control generalization through compressibility. Finally, we empirically validate our results and achieve the computation of non-vacuous information-theoretic generalization bounds for neural networks, a task that was previously out of reach.
Energy-based Epistemic Uncertainty for Graph Neural Networks
Authors: Dominik Fuchsgruber, Tom Wollschläger, Stephan Günnemann
Date: 2024-06-06 00:00:00
Tasks: Graph Neural Network

In domains with interdependent data, such as graphs, quantifying the epistemic uncertainty of a Graph Neural Network (GNN) is challenging as uncertainty can arise at different structural scales. Existing techniques neglect this issue or only distinguish between structure-aware and structure-agnostic uncertainty without combining them into a single measure. We propose GEBM, an energy-based model (EBM) that provides high-quality uncertainty estimates by aggregating energy at different structural levels that naturally arise from graph diffusion. In contrast to logit-based EBMs, we provably induce an integrable density in the data space by regularizing the energy function. We introduce an evidential interpretation of our EBM that significantly improves the predictive robustness of the GNN. Our framework is a simple and effective post hoc method applicable to any pre-trained GNN that is sensitive to various distribution shifts. It consistently achieves the best separation of in-distribution and out-of-distribution data on 6 out of 7 anomaly types while having the best average rank over shifts on \emph{all} datasets.
Theoretical Guarantees for Variational Inference with Fixed-Variance Mixture of Gaussians
Authors: Tom Huix, Anna Korba, Alain Durmus, Eric Moulines
Date: 2024-06-06 00:00:00
Tasks: Bayesian Inference, LEMMA, Variational Inference

Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. Despite its empirical success, the theoretical properties of VI have only received attention recently, and mostly when the parametric family is the one of Gaussians. This work aims to contribute to the theoretical study of VI in the non-Gaussian case by investigating the setting of Mixture of Gaussians with fixed covariance and constant weights. In this view, VI over this specific family can be casted as the minimization of a Mollified relative entropy, i.e. the KL between the convolution (with respect to a Gaussian kernel) of an atomic measure supported on Diracs, and the target distribution. The support of the atomic measure corresponds to the localization of the Gaussian components. Hence, solving variational inference becomes equivalent to optimizing the positions of the Diracs (the particles), which can be done through gradient descent and takes the form of an interacting particle system. We study two sources of error of variational inference in this context when optimizing the mollified relative entropy. The first one is an optimization result, that is a descent lemma establishing that the algorithm decreases the objective at each iteration. The second one is an approximation error, that upper bounds the objective between an optimal finite mixture and the target distribution.
Statistical Multicriteria Benchmarking via the GSD-Front
Authors: Christoph Jansen, Georg Schollmeyer, Julian Rodemann, Hannah Blocher, Thomas Augustin
Date: 2024-06-06 00:00:00
Tasks: Benchmarking

Given the vast number of classifiers that have been (and continue to be) proposed, reliable methods for comparing them are becoming increasingly important. The desire for reliability is broken down into three main aspects: (1) Comparisons should allow for different quality metrics simultaneously. (2) Comparisons should take into account the statistical uncertainty induced by the choice of benchmark suite. (3) The robustness of the comparisons under small deviations in the underlying assumptions should be verifiable. To address (1), we propose to compare classifiers using a generalized stochastic dominance ordering (GSD) and present the GSD-front as an information-efficient alternative to the classical Pareto-front. For (2), we propose a consistent statistical estimator for the GSD-front and construct a statistical test for whether a (potentially new) classifier lies in the GSD-front of a set of state-of-the-art classifiers. For (3), we relax our proposed test using techniques from robust statistics and imprecise probabilities. We illustrate our concepts on the benchmark suite PMLB and on the platform OpenML.
Exploring Pessimism and Optimism Dynamics in Deep Reinforcement Learning
Authors: Bahareh Tasdighi, Nicklas Werge, Yi-Shan Wu, Melih Kandemir
Date: 2024-06-06 00:00:00
Tasks: continuous-control, Continuous Control, Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning

Off-policy actor-critic algorithms have shown promise in deep reinforcement learning for continuous control tasks. Their success largely stems from leveraging pessimistic state-action value function updates, which effectively address function approximation errors and improve performance. However, such pessimism can lead to under-exploration, constraining the agent's ability to explore/refine its policies. Conversely, optimism can counteract under-exploration, but it also carries the risk of excessive risk-taking and poor convergence if not properly balanced. Based on these insights, we introduce Utility Soft Actor-Critic (USAC), a novel framework within the actor-critic paradigm that enables independent control over the degree of pessimism/optimism for both the actor and the critic via interpretable parameters. USAC adapts its exploration strategy based on the uncertainty of critics through a utility function that allows us to balance between pessimism and optimism separately. By going beyond binary choices of optimism and pessimism, USAC represents a significant step towards achieving balance within off-policy actor-critic algorithms. Our experiments across various continuous control problems show that the degree of pessimism or optimism depends on the nature of the task. Furthermore, we demonstrate that USAC can outperform state-of-the-art algorithms for appropriately configured pessimism/optimism parameters.
A Noise-robust Multi-head Attention Mechanism for Formation Resistivity Prediction: Frequency Aware LSTM
Authors: Yongan Zhang, Junfeng Zhao, Jian Li, Xuanran Wang, Youzhuang Sun, Yuntian Chen, Dongxiao Zhang
Date: 2024-06-06 00:00:00

The prediction of formation resistivity plays a crucial role in the evaluation of oil and gas reservoirs, identification and assessment of geothermal energy resources, groundwater detection and monitoring, and carbon capture and storage. However, traditional well logging techniques fail to measure accurate resistivity in cased boreholes, and the transient electromagnetic method for cased borehole resistivity logging encounters challenges of high-frequency disaster (the problem of inadequate learning by neural networks in high-frequency features) and noise interference, badly affecting accuracy. To address these challenges, frequency-aware framework and temporal anti-noise block are proposed to build frequency aware LSTM (FAL). The frequency-aware framework implements a dual-stream structure through wavelet transformation, allowing the neural network to simultaneously handle high-frequency and low-frequency flows of time-series data, thus avoiding high-frequency disaster. The temporal anti-noise block integrates multiple attention mechanisms and soft-threshold attention mechanisms, enabling the model to better distinguish noise from redundant features. Ablation experiments demonstrate that the frequency-aware framework and temporal anti-noise block contribute significantly to performance improvement. FAL achieves a 24.3% improvement in R2 over LSTM, reaching the highest value of 0.91 among all models. In robustness experiments, the impact of noise on FAL is approximately 1/8 of the baseline, confirming the noise resistance of FAL. The proposed FAL effectively reduces noise interference in predicting formation resistivity from cased transient electromagnetic well logging curves, better learns high-frequency features, and thereby enhances the prediction accuracy and noise resistance of the neural network model.
Neural force functional for non-equilibrium many-body colloidal systems
Authors: Toni Zimmerman, Florian Sammüller, Sophie Hermann, Matthias Schmidt, Daniel de las Heras
Date: 2024-06-05 00:00:00

We combine power functional theory and machine learning to study non-equilibrium overdamped many-body systems of colloidal particles at the level of one-body fields. We first sample in steady state the one-body fields relevant for the dynamics from computer simulations of Brownian particles under the influence of randomly generated external fields. A neural network is then trained with this data to represent locally in space the formally exact functional mapping from the one-body density and velocity profiles to the one-body internal force field. The trained network is used to analyse the non-equilibrium superadiabatic force field and the transport coefficients such as shear and bulk viscosities. Due to the local learning approach, the network can be applied to systems much larger than the original simulation box in which the one-body fields are sampled. Complemented with the exact non-equilibrium one-body force balance equation and a continuity equation, the network yields viable predictions of the dynamics in time-dependent situations. Even though training is based on steady states only, the predicted dynamics is in good agreement with simulation results. A neural dynamical density functional theory can be straightforwardly implemented as a limiting case in which the internal force field is that of an equilibrium system. The framework is general and directly applicable to other many-body systems of interacting particles following Brownian dynamics.
Beyond Similarity: Personalized Federated Recommendation with Composite Aggregation
Authors: Honglei Zhang, Haoxuan Li, Jundong Chen, Sen Cui, Kunda Yan, Abudukelimu Wuerkaixi, Xin Zhou, Zhiqi Shen, Yidong Li
Date: 2024-06-06 00:00:00

Federated recommendation aims to collect global knowledge by aggregating local models from massive devices, to provide recommendations while ensuring privacy. Current methods mainly leverage aggregation functions invented by federated vision community to aggregate parameters from similar clients, e.g., clustering aggregation. Despite considerable performance, we argue that it is suboptimal to apply them to federated recommendation directly. This is mainly reflected in the disparate model architectures. Different from structured parameters like convolutional neural networks in federated vision, federated recommender models usually distinguish itself by employing one-to-one item embedding table. Such a discrepancy induces the challenging embedding skew issue, which continually updates the trained embeddings but ignores the non-trained ones during aggregation, thus failing to predict future items accurately. To this end, we propose a personalized Federated recommendation model with Composite Aggregation (FedCA), which not only aggregates similar clients to enhance trained embeddings, but also aggregates complementary clients to update non-trained embeddings. Besides, we formulate the overall learning process into a unified optimization algorithm to jointly learn the similarity and complementarity. Extensive experiments on several real-world datasets substantiate the effectiveness of our proposed model. The source codes are available at https://github.com/hongleizhang/FedCA.
Polyhedral Conic Classifier for CTR Prediction
Authors: Beyza Turkmen, Ramazan Tarik Turksoy, Hasan Saribas, Hakan Cevikalp
Date: 2024-06-06 00:00:00
Tasks: Click-Through Rate Prediction, Diversity, Prediction, Recommendation Systems

This paper introduces a novel approach for click-through rate (CTR) prediction within industrial recommender systems, addressing the inherent challenges of numerical imbalance and geometric asymmetry. These challenges stem from imbalanced datasets, where positive (click) instances occur less frequently than negatives (non-clicks), and geometrically asymmetric distributions, where positive samples exhibit visually coherent patterns while negatives demonstrate greater diversity. To address these challenges, we have used a deep neural network classifier that uses the polyhedral conic functions. This classifier is similar to the one-class classifiers in spirit and it returns compact polyhedral acceptance regions to separate the positive class samples from the negative samples that have diverse distributions. Extensive experiments have been conducted to test the proposed approach using state-of-the-art (SOTA) CTR prediction models on four public datasets, namely Criteo, Avazu, MovieLens and Frappe. The experimental evaluations highlight the superiority of our proposed approach over Binary Cross Entropy (BCE) Loss, which is widely used in CTR prediction tasks.
Reducing the climate impact of data portals: a case study
Authors: Noah Gießing, Madhurima Deb, Ankit Satpute, Moritz Schubotz, Olaf Teschke
Date: 2024-06-06 00:00:00
Tasks: Information Retrieval, Retrieval

The carbon footprint share of the information and communication technology (ICT) sector has steadily increased in the past decade and is predicted to make up as much as 23 \% of global emissions in 2030. This shows a pressing need for developers, including the information retrieval community, to make their code more energy-efficient. In this project proposal, we discuss techniques to reduce the energy footprint of the MaRDI (Mathematical Research Data Initiative) Portal, a MediaWiki-based knowledge base. In future work, we plan to implement these changes and provide concrete measurements on the gain in energy efficiency. Researchers developing similar knowledge bases can adapt our measures to reduce their environmental footprint. In this way, we are working on mitigating the climate impact of Information Retrieval research.
Aligning LLMs through Multi-perspective User Preference Ranking-based Feedback for Programming Question Answering
Authors: Hongyu Yang, Liyang He, Min Hou, Shuanghong Shen, Rui Li, Jiahui Hou, Jianhui Ma, Junda Zhao
Date: 2024-05-27 00:00:00
Tasks: Community Question Answering, In-Context Learning, Question Answering

Code Community Question Answering (CCQA) seeks to tackle programming-related issues, thereby boosting productivity in both software engineering and academic research. Recent advancements in Reinforcement Learning from Human Feedback (RLHF) have transformed the fine-tuning process of Large Language Models (LLMs) to produce responses that closely mimic human behavior. Leveraging LLMs with RLHF for practical CCQA applications has thus emerged as a promising area of study. Unlike standard code question-answering tasks, CCQA involves multiple possible answers, with varying user preferences for each response. Additionally, code communities often show a preference for new APIs. These challenges prevent LLMs from generating responses that cater to the diverse preferences of users in CCQA tasks. To address these issues, we propose a novel framework called Aligning LLMs through Multi-perspective User Preference Ranking-based Feedback for Programming Question Answering (ALMupQA) to create user-focused responses. Our approach starts with Multi-perspective Preference Ranking Alignment (MPRA), which synthesizes varied user preferences based on the characteristics of answers from code communities. We then introduce a Retrieval-augmented In-context Learning (RIL) module to mitigate the problem of outdated answers by retrieving responses to similar questions from a question bank. Due to the limited availability of high-quality, multi-answer CCQA datasets, we also developed a dataset named StaCCQA from real code communities. Extensive experiments demonstrated the effectiveness of the ALMupQA framework in terms of accuracy and user preference. Compared to the base model, ALMupQA showed nearly an 11% improvement in BLEU, with increases of 20% and 17.5% in BERTScore and CodeBERTScore, respectively.
Beyond Pretrained Features: Noisy Image Modeling Provides Adversarial Defense
Authors: Zunzhi You, Daochang Liu, Bohyung Han, Chang Xu
Date: 2023-02-02 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Adversarial Defense, Adversarial Robustness, Decoder, Denoising, Representation Learning, Self-Supervised Learning

Recent advancements in masked image modeling (MIM) have made it a prevailing framework for self-supervised visual representation learning. The MIM pretrained models, like most deep neural network methods, remain vulnerable to adversarial attacks, limiting their practical application, and this issue has received little research attention. In this paper, we investigate how this powerful self-supervised learning paradigm can provide adversarial robustness to downstream classifiers. During the exploration, we find that noisy image modeling (NIM), a simple variant of MIM that adopts denoising as the pre-text task, reconstructs noisy images surprisingly well despite severe corruption. Motivated by this observation, we propose an adversarial defense method, referred to as De^3, by exploiting the pretrained decoder for denoising. Through De^3, NIM is able to enhance adversarial robustness beyond providing pretrained features. Furthermore, we incorporate a simple modification, sampling the noise scale hyperparameter from random distributions, and enable the defense to achieve a better and tunable trade-off between accuracy and robustness. Experimental results demonstrate that, in terms of adversarial robustness, NIM is superior to MIM thanks to its effective denoising capability. Moreover, the defense provided by NIM achieves performance on par with adversarial training while offering the extra tunability advantage. Source code and models are available at https://github.com/youzunzhi/NIM-AdvDef.
Latent Neural Operator for Solving Forward and Inverse PDE Problems
Authors: Tian Wang, Chuang Wang
Date: 2024-06-06 00:00:00
Tasks: Computational Efficiency, GPU

Neural operators effectively solve PDE problems from data without knowing the explicit equations, which learn the map from the input sequences of observed samples to the predicted values. Most existing works build the model in the original geometric space, leading to high computational costs when the number of sample points is large. We present the Latent Neural Operator (LNO) solving PDEs in the latent space. In particular, we first propose Physics-Cross-Attention (PhCA) transforming representation from the geometric space to the latent space, then learn the operator in the latent space, and finally recover the real-world geometric space via the inverse PhCA map. Our model retains flexibility that can decode values in any position not limited to locations defined in the training set, and therefore can naturally perform interpolation and extrapolation tasks particularly useful for inverse problems. Moreover, the proposed LNO improves both prediction accuracy and computational efficiency. Experiments show that LNO reduces the GPU memory by 50%, speeds up training 1.8 times, and reaches state-of-the-art accuracy on four out of six benchmarks for forward problems and a benchmark for inverse problem. Code is available at https://github.com/L-I-M-I-T/LatentNeuralOperator.