pwc-archive/papers-with-abstracts huggingface dataset:
Understanding Oversmoothing in GNNs as Consensus in Opinion Dynamics
Authors: Keqin Wang, Yulong Yang, Ishan Saha, Christine Allen-Blanchette
Date: 2025-01-31 00:00:00
Tasks: Adversarial Attack

In contrast to classes of neural networks where the learned representations become increasingly expressive with network depth, the learned representations in graph neural networks (GNNs), tend to become increasingly similar. This phenomena, known as oversmoothing, is characterized by learned representations that cannot be reliably differentiated leading to reduced predictive performance. In this paper, we propose an analogy between oversmoothing in GNNs and consensus or agreement in opinion dynamics. Through this analogy, we show that the message passing structure of recent continuous-depth GNNs is equivalent to a special case of opinion dynamics (i.e., linear consensus models) which has been theoretically proven to converge to consensus (i.e., oversmoothing) for all inputs. Using the understanding developed through this analogy, we design a new continuous-depth GNN model based on nonlinear opinion dynamics and prove that our model, which we call behavior-inspired message passing neural network (BIMP) circumvents oversmoothing for general inputs. Through extensive experiments, we show that BIMP is robust to oversmoothing and adversarial attack, and consistently outperforms competitive baselines on numerous benchmarks.
A Bias-Correction Decentralized Stochastic Gradient Algorithm with Momentum Acceleration
Authors: Yuchen Hu, Xi Chen, Weidong Liu, Xiaojun Mao
Date: 2025-01-31 00:00:00
Tasks: Stochastic Optimization

Distributed stochastic optimization algorithms can simultaneously process large-scale datasets, significantly accelerating model training. However, their effectiveness is often hindered by the sparsity of distributed networks and data heterogeneity. In this paper, we propose a momentum-accelerated distributed stochastic gradient algorithm, termed Exact-Diffusion with Momentum (EDM), which mitigates the bias from data heterogeneity and incorporates momentum techniques commonly used in deep learning to enhance convergence rate. Our theoretical analysis demonstrates that the EDM algorithm converges sub-linearly to the neighborhood of the optimal solution, the radius of which is irrespective of data heterogeneity, when applied to non-convex objective functions; under the Polyak-Lojasiewicz condition, which is a weaker assumption than strong convexity, it converges linearly to the target region. Our analysis techniques employed to handle momentum in complex distributed parameter update structures yield a sufficiently tight convergence upper bound, offering a new perspective for the theoretical analysis of other momentum-based distributed algorithms.
A Multi-Modal Explainability Approach for Human-Aware Robots in Multi-Party Conversation
Authors: Iveta Bečková, Štefan Pócoš, Giulia Belgiovine, Marco Matarese, Omar Eldardeer, Alessandra Sciutti, Carlo Mazzola
Date: 2024-05-20 00:00:00
Tasks: Activity Recognition, Binary Classification, Explainable artificial intelligence, Human Activity Recognition

The addressee estimation (understanding to whom somebody is talking) is a fundamental task for human activity recognition in multi-party conversation scenarios. Specifically, in the field of human-robot interaction, it becomes even more crucial to enable social robots to participate in such interactive contexts. However, it is usually implemented as a binary classification task, restricting the robot's capability to estimate whether it was addressed \review{or not, which} limits its interactive skills. For a social robot to gain the trust of humans, it is also important to manifest a certain level of transparency and explainability. Explainable artificial intelligence thus plays a significant role in the current machine learning applications and models, to provide explanations for their decisions besides excellent performance. In our work, we a) present an addressee estimation model with improved performance in comparison with the previous state-of-the-art; b) further modify this model to include inherently explainable attention-based segments; c) implement the explainable addressee estimation as part of a modular cognitive architecture for multi-party conversation in an iCub robot; d) validate the real-time performance of the explainable model in multi-party human-robot interaction; e) propose several ways to incorporate explainability and transparency in the aforementioned architecture; and f) perform an online user study to analyze the effect of various explanations on how human participants perceive the robot.
Differentially Private Policy Gradient
Authors: Alexandre Rio, Merwan Barlier, Igor Colin
Date: 2025-01-31 00:00:00

Motivated by the increasing deployment of reinforcement learning in the real world, involving a large consumption of personal data, we introduce a differentially private (DP) policy gradient algorithm. We show that, in this setting, the introduction of Differential Privacy can be reduced to the computation of appropriate trust regions, thus avoiding the sacrifice of theoretical properties of the DP-less methods. Therefore, we show that it is possible to find the right trade-off between privacy noise and trust-region size to obtain a performant differentially private policy gradient algorithm. We then outline its performance empirically on various benchmarks. Our results and the complexity of the tasks addressed represent a significant improvement over existing DP algorithms in online RL.
Temperature-Annealed Boltzmann Generators
Authors: Henrik Schopmans, Pascal Friederich
Date: 2025-01-31 00:00:00

Efficient sampling of unnormalized probability densities such as the Boltzmann distribution of molecular systems is a longstanding challenge. Next to conventional approaches like molecular dynamics or Markov chain Monte Carlo, variational approaches, such as training normalizing flows with the reverse Kullback-Leibler divergence, have been introduced. However, such methods are prone to mode collapse and often do not learn to sample the full configurational space. Here, we present temperature-annealed Boltzmann generators (TA-BG) to address this challenge. First, we demonstrate that training a normalizing flow with the reverse Kullback-Leibler divergence at high temperatures is possible without mode collapse. Furthermore, we introduce a reweighting-based training objective to anneal the distribution to lower target temperatures. We apply this methodology to three molecular systems of increasing complexity and, compared to the baseline, achieve better results in almost all metrics while requiring up to three times fewer target energy evaluations. For the largest system, our approach is the only method that accurately resolves the metastable states of the system.
Pareto-frontier Entropy Search with Variational Lower Bound Maximization
Authors: Masanori Ishikura, Masayuki Karasuyama
Date: 2025-01-31 00:00:00
Tasks: Bayesian Optimization

This study considers multi-objective Bayesian optimization (MOBO) through the information gain of the Pareto-frontier. To calculate the information gain, a predictive distribution conditioned on the Pareto-frontier plays a key role, which is defined as a distribution truncated by the Pareto-frontier. However, it is usually impossible to obtain the entire Pareto-frontier in a continuous domain, and therefore, the complete truncation cannot be known. We consider an approximation of the truncate distribution by using a mixture distribution consisting of two possible approximate truncation obtainable from a subset of the Pareto-frontier, which we call over- and under-truncation. Since the optimal balance of the mixture is unknown beforehand, we propose optimizing the balancing coefficient through the variational lower bound maximization framework, by which the approximation error of the information gain can be minimized. Our empirical evaluation demonstrates the effectiveness of the proposed method particularly when the number of objective functions is large.
SpikingSoft: A Spiking Neuron Controller for Bio-inspired Locomotion with Soft Snake Robots
Authors: Chuhan Zhang, Cong Wang, Wei Pan, Cosimo Della Santina
Date: 2025-01-31 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

Inspired by the dynamic coupling of moto-neurons and physical elasticity in animals, this work explores the possibility of generating locomotion gaits by utilizing physical oscillations in a soft snake by means of a low-level spiking neural mechanism. To achieve this goal, we introduce the Double Threshold Spiking neuron model with adjustable thresholds to generate varied output patterns. This neuron model can excite the natural dynamics of soft robotic snakes, and it enables distinct movements, such as turning or moving forward, by simply altering the neural thresholds. Finally, we demonstrate that our approach, termed SpikingSoft, naturally pairs and integrates with reinforcement learning. The high-level agent only needs to adjust the two thresholds to generate complex movement patterns, thus strongly simplifying the learning of reactive locomotion. Simulation results demonstrate that the proposed architecture significantly enhances the performance of the soft snake robot, enabling it to achieve target objectives with a 21.6% increase in success rate, a 29% reduction in time to reach the target, and smoother movements compared to the vanilla reinforcement learning controllers or Central Pattern Generator controller acting in torque space.
From Low Intrinsic Dimensionality to Non-Vacuous Generalization Bounds in Deep Multi-Task Learning
Authors: Hossein Zakerinia, Dorsa Ghobadi, Christoph H. Lampert
Date: 2025-01-31 00:00:00
Tasks: Generalization Bounds, Multi-Task Learning

Deep learning methods are known to generalize well from training to future data, even in an overparametrized regime, where they could easily overfit. One explanation for this phenomenon is that even when their *ambient dimensionality*, (i.e. the number of parameters) is large, the models' *intrinsic dimensionality* is small; specifically, their learning takes place in a small subspace of all possible weight configurations. In this work, we confirm this phenomenon in the setting of *deep multi-task learning*. We introduce a method to parametrize multi-task network directly in the low-dimensional space, facilitated by the use of *random expansions* techniques. We then show that high-accuracy multi-task solutions can be found with much smaller intrinsic dimensionality (fewer free parameters) than what single-task learning requires. Subsequently, we show that the low-dimensional representations in combination with *weight compression* and *PAC-Bayesian* reasoning lead to the *first non-vacuous generalization bounds* for deep multi-task networks.
BEAT: Balanced Frequency Adaptive Tuning for Long-Term Time-Series Forecasting
Authors: Zhixuan Li, Naipeng Chen, Seonghwa Choi, SangHoon Lee, Weisi Lin
Date: 2025-01-31 00:00:00
Tasks: Time Series, Time Series Forecasting

Time-series forecasting is crucial for numerous real-world applications including weather prediction and financial market modeling. While temporal-domain methods remain prevalent, frequency-domain approaches can effectively capture multi-scale periodic patterns, reduce sequence dependencies, and naturally denoise signals. However, existing approaches typically train model components for all frequencies under a unified training objective, often leading to mismatched learning speeds: high-frequency components converge faster and risk overfitting, while low-frequency components underfit due to insufficient training time. To deal with this challenge, we propose BEAT (Balanced frEquency Adaptive Tuning), a novel framework that dynamically monitors the training status for each frequency and adaptively adjusts their gradient updates. By recognizing convergence, overfitting, or underfitting for each frequency, BEAT dynamically reallocates learning priorities, moderating gradients for rapid learners and increasing those for slower ones, alleviating the tension between competing objectives across frequencies and synchronizing the overall learning process. Extensive experiments on seven real-world datasets demonstrate that BEAT consistently outperforms state-of-the-art approaches.
Machine Learning in Gamma Astronomy
Authors: A. P. Kryukov, A. P. Demichev, V. A. Ilyin
Date: 2025-01-31 00:00:00
Tasks: Astronomy, Deep Learning

The purpose of this paper is to review the most popular deep learning methods used to analyze astroparticle data obtained with Imaging Atmospheric Cherenkov Telescopes and provide references to the original papers.
Optimizing Job Allocation using Reinforcement Learning with Graph Neural Networks
Authors: Lars C. P. M. Quaedvlieg
Date: 2025-01-31 00:00:00
Tasks: Reinforcement Learning (RL), Scheduling

Efficient job allocation in complex scheduling problems poses significant challenges in real-world applications. In this report, we propose a novel approach that leverages the power of Reinforcement Learning (RL) and Graph Neural Networks (GNNs) to tackle the Job Allocation Problem (JAP). The JAP involves allocating a maximum set of jobs to available resources while considering several constraints. Our approach enables learning of adaptive policies through trial-and-error interactions with the environment while exploiting the graph-structured data of the problem. By leveraging RL, we eliminate the need for manual annotation, a major bottleneck in supervised learning approaches. Experimental evaluations on synthetic and real-world data demonstrate the effectiveness and generalizability of our proposed approach, outperforming baseline algorithms and showcasing its potential for optimizing job allocation in complex scheduling problems.
TeZO: Empowering the Low-Rankness on the Temporal Dimension in the Zeroth-Order Optimization for Fine-tuning LLMs
Authors: Yan Sun, Tiansheng Huang, Liang Ding, Li Shen, DaCheng Tao
Date: 2025-01-31 00:00:00
Tasks: GPU

Zeroth-order optimization (ZO) has demonstrated remarkable promise in efficient fine-tuning tasks for Large Language Models (LLMs). In particular, recent advances incorporate the low-rankness of gradients, introducing low-rank ZO estimators to further reduce GPU memory consumption. However, most existing works focus solely on the low-rankness of each individual gradient, overlooking a broader property shared by all gradients throughout the training, i.e., all gradients approximately reside within a similar subspace. In this paper, we consider two factors together and propose a novel low-rank ZO estimator, TeZO, which captures the low-rankness across both the model and temporal dimension. Specifically, we represent ZO perturbations along the temporal dimension as a 3D tensor and employ Canonical Polyadic Decomposition (CPD) to extract each low-rank 2D matrix, significantly reducing the training cost. TeZO can also be easily extended to the Adam variant while consuming less memory than MeZO-SGD, and requiring about only 35% memory of MeZO-Adam. Both comprehensive theoretical analysis and extensive experimental research have validated its efficiency, achieving SOTA-comparable results with lower overhead of time and memory.
Towards Physiologically Sensible Predictions via the Rule-based Reinforcement Learning Layer
Authors: Lingwei Zhu, Zheng Chen, Yukie Nagai, Jimeng Sun
Date: 2025-01-31 00:00:00
Tasks: Reinforcement Learning (RL)

This paper adds to the growing literature of reinforcement learning (RL) for healthcare by proposing a novel paradigm: augmenting any predictor with Rule-based RL Layer (RRLL) that corrects the model's physiologically impossible predictions. Specifically, RRLL takes as input states predicted labels and outputs corrected labels as actions. The reward of the state-action pair is evaluated by a set of general rules. RRLL is efficient, general and lightweight: it does not require heavy expert knowledge like prior work but only a set of impossible transitions. This set is much smaller than all possible transitions; yet it can effectively reduce physiologically impossible mistakes made by the state-of-the-art predictor models. We verify the utility of RRLL on a variety of important healthcare classification problems and observe significant improvements using the same setup, with only the domain-specific set of impossibility changed. In-depth analysis shows that RRLL indeed improves accuracy by effectively reducing the presence of physiologically impossible predictions.
Norm-Bounded Low-Rank Adaptation
Authors: Ruigang Wang, Krishnamurthy Dvijotham, Ian R. Manchester
Date: 2025-01-31 00:00:00
Tasks: Low-Rank Matrix Completion, Matrix Completion, parameter-efficient fine-tuning, Privacy Preserving

In this work, we propose norm-bounded low-rank adaptation (NB-LoRA) for parameter-efficient fine tuning. We introduce two parameterizations that allow explicit bounds on each singular value of the weight adaptation matrix, which can therefore satisfy any prescribed unitarily invariant norm bound, including the Schatten norms (e.g., nuclear, Frobenius, spectral norm). The proposed parameterizations are unconstrained and complete, i.e. they cover all matrices satisfying the prescribed rank and norm constraints. Experiments on vision fine-tuning benchmarks show that the proposed approach can achieve good adaptation performance while avoiding model catastrophic forgetting and also substantially improve robustness to a wide range of hyper-parameters, including adaptation rank, learning rate and number of training epochs. We also explore applications in privacy-preserving model merging and low-rank matrix completion.
Towards the Worst-case Robustness of Large Language Models
Authors: Huanran Chen, Yinpeng Dong, Zeming Wei, Hang Su, Jun Zhu
Date: 2025-01-31 00:00:00
Tasks: Language Modeling, Language Modelling

Recent studies have revealed the vulnerability of large language models to adversarial attacks, where adversaries craft specific input sequences to induce harmful, violent, private, or incorrect outputs. In this work, we study their worst-case robustness, i.e., whether an adversarial example exists that leads to such undesirable outputs. We upper bound the worst-case robustness using stronger white-box attacks, indicating that most current deterministic defenses achieve nearly 0\% worst-case robustness. We propose a general tight lower bound for randomized smoothing using fractional knapsack solvers or 0-1 knapsack solvers, and using them to bound the worst-case robustness of all stochastic defenses. Based on these solvers, we provide theoretical lower bounds for several previous empirical defenses. For example, we certify the robustness of a specific case, smoothing using a uniform kernel, against \textit{any possible attack} with an average $\ell_0$ perturbation of 2.02 or an average suffix length of 6.41.
Conformal Prediction in Hierarchical Classification
Authors: Thomas Mortier, Alireza Javanmardi, Yusuf Sale, Eyke Hüllermeier, Willem Waegeman
Date: 2025-01-31 00:00:00
Tasks: Classification, Conformal Prediction, Prediction, valid

Conformal prediction has emerged as a widely used framework for constructing valid prediction sets in classification and regression tasks. In this work, we extend the split conformal prediction framework to hierarchical classification, where prediction sets are commonly restricted to internal nodes of a predefined hierarchy, and propose two computationally efficient inference algorithms. The first algorithm returns internal nodes as prediction sets, while the second relaxes this restriction, using the notion of representation complexity, yielding a more general and combinatorial inference problem, but smaller set sizes. Empirical evaluations on several benchmark datasets demonstrate the effectiveness of the proposed algorithms in achieving nominal coverage.
Error Slice Discovery via Manifold Compactness
Authors: Han Yu, Jiashuo Liu, Hao Zou, Renzhe Xu, Yue He, Xingxuan Zhang, Peng Cui
Date: 2025-01-31 00:00:00
Tasks: Slice Discovery

Despite the great performance of deep learning models in many areas, they still make mistakes and underperform on certain subsets of data, i.e. error slices. Given a trained model, it is important to identify its semantically coherent error slices that are easy to interpret, which is referred to as the error slice discovery problem. However, there is no proper metric of slice coherence without relying on extra information like predefined slice labels. Current evaluation of slice coherence requires access to predefined slices formulated by metadata like attributes or subclasses. Its validity heavily relies on the quality and abundance of metadata, where some possible patterns could be ignored. Besides, current algorithms cannot directly incorporate the constraint of coherence into their optimization objective due to the absence of an explicit coherence metric, which could potentially hinder their effectiveness. In this paper, we propose manifold compactness, a coherence metric without reliance on extra information by incorporating the data geometry property into its design, and experiments on typical datasets empirically validate the rationality of the metric. Then we develop Manifold Compactness based error Slice Discovery (MCSD), a novel algorithm that directly treats risk and coherence as the optimization objective, and is flexible to be applied to models of various tasks. Extensive experiments on the benchmark and case studies on other typical datasets demonstrate the superiority of MCSD.
True Online TD-Replan(lambda) Achieving Planning through Replaying
Authors: Abdulrahman Altahhan
Date: 2025-01-31 00:00:00
Tasks: Benchmarking

In this paper, we develop a new planning method that extends the capabilities of the true online TD to allow an agent to efficiently replay all or part of its past experience, online in the sequence that they appear with, either in each step or sparsely according to the usual {\lambda} parameter. In this new method that we call True Online TD-Replan({\lambda}), the {\lambda} parameter plays a new role in specifying the density of the replay process in addition to the usual role of specifying the depth of the target's updates. We demonstrate that, for problems that benefit from experience replay, our new method outperforms true online TD({\lambda}), albeit quadratic in complexity due to its replay capabilities. In addition, we demonstrate that our method outperforms other methods with similar quadratic complexity such as Dyna Planning and TD({\lambda})-Replan algorithms. We test our method on two benchmarking environments, a random walk problem that uses simple binary features and a myoelectric control domain that uses both simple sEMG features and deeply extracted features to showcase its capabilities.