pwc-archive/papers-with-abstracts huggingface dataset:
Holistic Adversarially Robust Pruning
Authors: Qi Zhao, Christian Wressnegger
Date: 2024-12-19 00:00:00
Tasks: Adversarial Robustness

Neural networks can be drastically shrunk in size by removing redundant parameters. While crucial for the deployment on resource-constraint hardware, oftentimes, compression comes with a severe drop in accuracy and lack of adversarial robustness. Despite recent advances, counteracting both aspects has only succeeded for moderate compression rates so far. We propose a novel method, HARP, that copes with aggressive pruning significantly better than prior work. For this, we consider the network holistically. We learn a global compression strategy that optimizes how many parameters (compression rate) and which parameters (scoring connections) to prune specific to each layer individually. Our method fine-tunes an existing model with dynamic regularization, that follows a step-wise incremental function balancing the different objectives. It starts by favoring robustness before shifting focus on reaching the target compression rate and only then handles the objectives equally. The learned compression strategies allow us to maintain the pre-trained model natural accuracy and its adversarial robustness for a reduction by 99% of the network original size. Moreover, we observe a crucial influence of non-uniform compression across layers.
ReMoE: Fully Differentiable Mixture-of-Experts with ReLU Routing
Authors: Ziteng Wang, Jianfei Chen, Jun Zhu
Date: 2024-12-19 00:00:00
Tasks: Mixture-of-Experts

Sparsely activated Mixture-of-Experts (MoE) models are widely adopted to scale up model capacity without increasing the computation budget. However, vanilla TopK routers are trained in a discontinuous, non-differentiable way, limiting their performance and scalability. To address this issue, we propose ReMoE, a fully differentiable MoE architecture that offers a simple yet effective drop-in replacement for the conventional TopK+Softmax routing, utilizing ReLU as the router instead. We further propose methods to regulate the router's sparsity while balancing the load among experts. ReMoE's continuous nature enables efficient dynamic allocation of computation across tokens and layers, while also exhibiting domain specialization. Our experiments demonstrate that ReMoE consistently outperforms vanilla TopK-routed MoE across various model sizes, expert counts, and levels of granularity. Furthermore, ReMoE exhibits superior scalability with respect to the number of experts, surpassing traditional MoE architectures. The implementation based on Megatron-LM is available at https://github.com/thu-ml/ReMoE.
Taming the Memory Beast: Strategies for Reliable ML Training on Kubernetes
Authors: Jaideep Ray
Date: 2024-12-19 00:00:00
Tasks: GPU, Management

Kubernetes offers a powerful orchestration platform for machine learning training, but memory management can be challenging due to specialized needs and resource constraints. This paper outlines how Kubernetes handles memory requests, limits, Quality of Service classes, and eviction policies for ML workloads, with special focus on GPU memory and ephemeral storage. Common pitfalls such as overcommitment, memory leaks, and ephemeral volume exhaustion are examined. We then provide best practices for stable, scalable memory utilization to help ML practitioners prevent out-of-memory events and ensure high-performance ML training pipelines.
Lorentzian Residual Neural Networks
Authors: Neil He, Menglin Yang, Rex Ying
Date: 2024-12-19 00:00:00

Hyperbolic neural networks have emerged as a powerful tool for modeling hierarchical data structures prevalent in real-world datasets. Notably, residual connections, which facilitate the direct flow of information across layers, have been instrumental in the success of deep neural networks. However, current methods for constructing hyperbolic residual networks suffer from limitations such as increased model complexity, numerical instability, and errors due to multiple mappings to and from the tangent space. To address these limitations, we introduce LResNet, a novel Lorentzian residual neural network based on the weighted Lorentzian centroid in the Lorentz model of hyperbolic geometry. Our method enables the efficient integration of residual connections in Lorentz hyperbolic neural networks while preserving their hierarchical representation capabilities. We demonstrate that our method can theoretically derive previous methods while offering improved stability, efficiency, and effectiveness. Extensive experiments on both graph and vision tasks showcase the superior performance and robustness of our method compared to state-of-the-art Euclidean and hyperbolic alternatives. Our findings highlight the potential of LResNet for building more expressive neural networks in hyperbolic embedding space as a generally applicable method to multiple architectures, including CNNs, GNNs, and graph Transformers.
Trainable Adaptive Activation Function Structure (TAAFS) Enhances Neural Network Force Field Performance with Only Dozens of Additional Parameters
Authors: Enji Li
Date: 2024-12-19 00:00:00

At the heart of neural network force fields (NNFFs) is the architecture of neural networks, where the capacity to model complex interactions is typically enhanced through widening or deepening multilayer perceptrons (MLPs) or by increasing layers of graph neural networks (GNNs). These enhancements, while improving the model's performance, often come at the cost of a substantial increase in the number of parameters. By applying the Trainable Adaptive Activation Function Structure (TAAFS), we introduce a method that selects distinct mathematical formulations for non-linear activations, thereby increasing the precision of NNFFs with an insignificant addition to the parameter count. In this study, we integrate TAAFS into a variety of neural network models, resulting in observed accuracy improvements, and further validate these enhancements through molecular dynamics (MD) simulations using DeepMD.
Permutation recovery of spikes in noisy high-dimensional tensor estimation
Authors: Gérard Ben Arous, Cédric Gerbelot, Vanessa Piccolo
Date: 2024-12-19 00:00:00

We study the dynamics of gradient flow in high dimensions for the multi-spiked tensor problem, where the goal is to estimate $r$ unknown signal vectors (spikes) from noisy Gaussian tensor observations. Specifically, we analyze the maximum likelihood estimation procedure, which involves optimizing a highly nonconvex random function. We determine the sample complexity required for gradient flow to efficiently recover all spikes, without imposing any assumptions on the separation of the signal-to-noise ratios (SNRs). More precisely, our results provide the sample complexity required to guarantee recovery of the spikes up to a permutation. Our work builds on our companion paper [Ben Arous, Gerbelot, Piccolo 2024], which studies Langevin dynamics and determines the sample complexity and separation conditions for the SNRs necessary for ensuring exact recovery of the spikes (where the recovered permutation matches the identity). During the recovery process, the correlations between the estimators and the hidden vectors increase in a sequential manner. The order in which these correlations become significant depends on their initial values and the corresponding SNRs, which ultimately determines the permutation of the recovered spikes.
Continuous latent representations for modeling precipitation with deep learning
Authors: Gokul Radhakrishnan, Rahul Sundar, Nishant Parashar, Antoine Blanchard, Daiwei Wang, Boyko Dodov
Date: 2024-12-19 00:00:00
Tasks: Deep Learning

The sparse and spatio-temporally discontinuous nature of precipitation data presents significant challenges for simulation and statistical processing for bias correction and downscaling. These include incorrect representation of intermittency and extreme values (critical for hydrology applications), Gibbs phenomenon upon regridding, and lack of fine scales details. To address these challenges, a common approach is to transform the precipitation variable nonlinearly into one that is more malleable. In this work, we explore how deep learning can be used to generate a smooth, spatio-temporally continuous variable as a proxy for simulation of precipitation data. We develop a normally distributed field called pseudo-precipitation (PP) as an alternative for simulating precipitation. The practical applicability of this variable is investigated by applying it for downscaling precipitation from \(1\degree\) (\(\sim\) 100 km) to \(0.25\degree\) (\(\sim\) 25 km).
Fast inverse lithography based on a model-driven block stacking convolutional neural network
Authors: Ruixiang Chen, Yang Zhao, Haoqin Li, Rui Chen
Date: 2024-12-19 00:00:00
Tasks: Diversity

In the realm of lithography, Optical Proximity Correction (OPC) is a crucial resolution enhancement technique that optimizes the transmission function of photomasks on a pixel-based to effectively counter Optical Proximity Effects (OPE). However, conventional pixel-based OPC methods often generate patterns that pose manufacturing challenges, thereby leading to the increased cost in practical scenarios. This paper presents a novel inverse lithographic approach to OPC, employing a model-driven, block stacking deep learning framework that expedites the generation of masks conducive to manufacturing. This method is founded on vector lithography modelling and streamlines the training process by eliminating the requirement for extensive labeled datasets. Furthermore, diversity of mask patterns is enhanced by employing a wave function collapse algorithm, which facilitates the random generation of a multitude of target patterns, therefore significantly expanding the range of mask paradigm. Numerical experiments have substantiated the efficacy of the proposed end-to-end approach, highlighting its superior capability to manage mask complexity within the context of advanced OPC lithography. This advancement is anticipated to enhance the feasibility and economic viability of OPC technology within actual manufacturing environments.
MixLLM: LLM Quantization with Global Mixed-precision between Output-features and Highly-efficient System Design
Authors: Zhen Zheng, Xiaonan Song, Chuanjie Liu
Date: 2024-12-19 00:00:00
Tasks: MMLU, Quantization

Quantization has become one of the most effective methodologies to compress LLMs into smaller size. However, the existing quantization solutions still show limitations of either non-negligible accuracy drop or system inefficiency. In this paper, we make a comprehensive analysis of the general quantization principles on their effect to the triangle of accuracy, memory consumption and system efficiency. We propose MixLLM that explores the new optimization space of mixed-precision quantization between output features based on the insight that different output features matter differently in the model. MixLLM identifies the output features with high salience in the global view rather than within each single layer, effectively assigning the larger bit-width to output features that need it most to achieve good accuracy with low memory consumption. We present the sweet spot of quantization configuration of algorithm-system co-design that leads to high accuracy and system efficiency. To address the system challenge, we design the two-step dequantization to make use of the int8 Tensor Core easily and fast data type conversion to reduce dequantization overhead significantly, and present the software pipeline to overlap the memory access, dequantization and the MatMul to the best. Extensive experiments show that with only 10% more bits, the PPL increasement can be reduced from about 0.5 in SOTA to within 0.2 for Llama 3.1 70B, while on average MMLU-Pro improves by 0.93 over the SOTA of three popular models. In addition to its superior accuracy, MixLLM also achieves state-of-the-art system efficiency.
Accelerated Patient-Specific Calibration via Differentiable Hemodynamics Simulations
Authors: Diego Renner, Georgios Kissas
Date: 2024-12-19 00:00:00
Tasks: Diagnostic

One of the goals of personalized medicine is to tailor diagnostics to individual patients. Diagnostics are performed in practice by measuring quantities, called biomarkers, that indicate the existence and progress of a disease. In common cardiovascular diseases, such as hypertension, biomarkers that are closely related to the clinical representation of a patient can be predicted using computational models. Personalizing computational models translates to considering patient-specific flow conditions, for example, the compliance of blood vessels that cannot be a priori known and quantities such as the patient geometry that can be measured using imaging. Therefore, a patient is identified by a set of measurable and nonmeasurable parameters needed to well-define a computational model; else, the computational model is not personalized, meaning it is prone to large prediction errors. Therefore, to personalize a computational model, sufficient information needs to be extracted from the data. The current methods by which this is done are either inefficient, due to relying on slow-converging optimization methods, or hard to interpret, due to using `black box` deep-learning algorithms. We propose a personalized diagnostic procedure based on a differentiable 0D-1D Navier-Stokes reduced order model solver and fast parameter inference methods that take advantage of gradients through the solver. By providing a faster method for performing parameter inference and sensitivity analysis through differentiability while maintaining the interpretability of well-understood mathematical models and numerical methods, the best of both worlds is combined. The performance of the proposed solver is validated against a well-established process on different geometries, and different parameter inference processes are successfully performed.
Single-Loop Federated Actor-Critic across Heterogeneous Environments
Authors: Ye Zhu, Xiaowen Gong
Date: 2024-12-19 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Federated reinforcement learning (FRL) has emerged as a promising paradigm, enabling multiple agents to collaborate and learn a shared policy adaptable across heterogeneous environments. Among the various reinforcement learning (RL) algorithms, the actor-critic (AC) algorithm stands out for its low variance and high sample efficiency. However, little to nothing is known theoretically about AC in a federated manner, especially each agent interacts with a potentially different environment. The lack of such results is attributed to various technical challenges: a two-level structure illustrating the coupling effect between the actor and the critic, heterogeneous environments, Markovian sampling and multiple local updates. In response, we study \textit{Single-loop Federated Actor Critic} (SFAC) where agents perform actor-critic learning in a two-level federated manner while interacting with heterogeneous environments. We then provide bounds on the convergence error of SFAC. The results show that the convergence error asymptotically converges to a near-stationary point, with the extent proportional to environment heterogeneity. Moreover, the sample complexity exhibits a linear speed-up through the federation of agents. We evaluate the performance of SFAC through numerical experiments using common RL benchmarks, which demonstrate its effectiveness.
Transformer models are gauge invariant: A mathematical connection between AI and particle physics
Authors: Leo van Nierop
Date: 2024-12-19 00:00:00

In particle physics, the fundamental forces are subject to symmetries called gauge invariance. It is a redundancy in the mathematical description of any physical system. In this article I will demonstrate that the transformer architecture exhibits the same properties, and show that the default representation of transformers has partially, but not fully removed the gauge invariance.
Leveraging Time Series Categorization and Temporal Fusion Transformers to Improve Cryptocurrency Price Forecasting
Authors: Arash Peik, Mohammad Ali Zare Chahooki, Amin Milani Fard, Mehdi Agha Sarram
Date: 2024-12-19 00:00:00
Tasks: Decision Making, Time Series

Organizing and managing cryptocurrency portfolios and decision-making on transactions is crucial in this market. Optimal selection of assets is one of the main challenges that requires accurate prediction of the price of cryptocurrencies. In this work, we categorize the financial time series into several similar subseries to increase prediction accuracy by learning each subseries category with similar behavior. For each category of the subseries, we create a deep learning model based on the attention mechanism to predict the next step of each subseries. Due to the limited amount of cryptocurrency data for training models, if the number of categories increases, the amount of training data for each model will decrease, and some complex models will not be trained well due to the large number of parameters. To overcome this challenge, we propose to combine the time series data of other cryptocurrencies to increase the amount of data for each category, hence increasing the accuracy of the models corresponding to each category.
Statistical Undersampling with Mutual Information and Support Points
Authors: Alex Mak, Shubham Sahoo, Shivani Pandey, Yidan Yue, Linglong Kong
Date: 2024-12-19 00:00:00
Tasks: Classification

Class imbalance and distributional differences in large datasets present significant challenges for classification tasks machine learning, often leading to biased models and poor predictive performance for minority classes. This work introduces two novel undersampling approaches: mutual information-based stratified simple random sampling and support points optimization. These methods prioritize representative data selection, effectively minimizing information loss. Empirical results across multiple classification tasks demonstrate that our methods outperform traditional undersampling techniques, achieving higher balanced classification accuracy. These findings highlight the potential of combining statistical concepts with machine learning to address class imbalance in practical applications.
Knowledge Distillation in RNN-Attention Models for Early Prediction of Student Performance
Authors: Sukrit Leelaluk, Cheng Tang, Valdemar Švábenský, Atsushi Shimada
Date: 2024-12-19 00:00:00
Tasks: Knowledge Distillation, Student dropout, Transfer Learning

Educational data mining (EDM) is a part of applied computing that focuses on automatically analyzing data from learning contexts. Early prediction for identifying at-risk students is a crucial and widely researched topic in EDM research. It enables instructors to support at-risk students to stay on track, preventing student dropout or failure. Previous studies have predicted students' learning performance to identify at-risk students by using machine learning on data collected from e-learning platforms. However, most studies aimed to identify at-risk students utilizing the entire course data after the course finished. This does not correspond to the real-world scenario that at-risk students may drop out before the course ends. To address this problem, we introduce an RNN-Attention-KD (knowledge distillation) framework to predict at-risk students early throughout a course. It leverages the strengths of Recurrent Neural Networks (RNNs) in handling time-sequence data to predict students' performance at each time step and employs an attention mechanism to focus on relevant time steps for improved predictive accuracy. At the same time, KD is applied to compress the time steps to facilitate early prediction. In an empirical evaluation, RNN-Attention-KD outperforms traditional neural network models in terms of recall and F1-measure. For example, it obtained recall and F1-measure of 0.49 and 0.51 for Weeks 1--3 and 0.51 and 0.61 for Weeks 1--6 across all datasets from four years of a university course. Then, an ablation study investigated the contributions of different knowledge transfer methods (distillation objectives). We found that hint loss from the hidden layer of RNN and context vector loss from the attention module on RNN could enhance the model's prediction performance for identifying at-risk students. These results are relevant for EDM researchers employing deep learning models.
Dynamic User Interface Generation for Enhanced Human-Computer Interaction Using Variational Autoencoders
Authors: Runsheng Zhang, Shixiao Wang, Tianfang Xie, Shiyu Duan, Mengmeng Chen
Date: 2024-12-19 00:00:00

This study presents a novel approach for intelligent user interaction interface generation and optimization, grounded in the variational autoencoder (VAE) model. With the rapid advancement of intelligent technologies, traditional interface design methods struggle to meet the evolving demands for diversity and personalization, often lacking flexibility in real-time adjustments to enhance the user experience. Human-Computer Interaction (HCI) plays a critical role in addressing these challenges by focusing on creating interfaces that are functional, intuitive, and responsive to user needs. This research leverages the RICO dataset to train the VAE model, enabling the simulation and creation of user interfaces that align with user aesthetics and interaction habits. By integrating real-time user behavior data, the system dynamically refines and optimizes the interface, improving usability and underscoring the importance of HCI in achieving a seamless user experience. Experimental findings indicate that the VAE-based approach significantly enhances the quality and precision of interface generation compared to other methods, including autoencoders (AE), generative adversarial networks (GAN), conditional GANs (cGAN), deep belief networks (DBN), and VAE-GAN. This work contributes valuable insights into HCI, providing robust technical solutions for automated interface generation and enhanced user experience optimization.
Cal-DPO: Calibrated Direct Preference Optimization for Language Model Alignment
Authors: Teng Xiao, Yige Yuan, Huaisheng Zhu, Mingxiao Li, Vasant G Honavar
Date: 2024-12-19 00:00:00
Tasks: Language Modeling, Language Modelling

We study the problem of aligning large language models (LLMs) with human preference data. Contrastive preference optimization has shown promising results in aligning LLMs with available preference data by optimizing the implicit reward associated with the policy. However, the contrastive objective focuses mainly on the relative values of implicit rewards associated with two responses while ignoring their actual values, resulting in suboptimal alignment with human preferences. To address this limitation, we propose calibrated direct preference optimization (Cal-DPO), a simple yet effective algorithm. We show that substantial improvement in alignment with the given preferences can be achieved simply by calibrating the implicit reward to ensure that the learned implicit rewards are comparable in scale to the ground-truth rewards. We demonstrate the theoretical advantages of Cal-DPO over existing approaches. The results of our experiments on a variety of standard benchmarks show that Cal-DPO remarkably improves off-the-shelf methods.