pwc-archive/papers-with-abstracts huggingface dataset:
Generative modeling assisted simulation of measurement-altered quantum criticality
Authors: Yuchen Zhu, Molei Tao, Yuebo Jin, Xie Chen
Date: 2024-12-02 00:00:00

In quantum many-body systems, measurements can induce qualitative new features, but their simulation is hindered by the exponential complexity involved in sampling the measurement results. We propose to use machine learning to assist the simulation of measurement-induced quantum phenomena. In particular, we focus on the measurement-altered quantum criticality protocol and generate local reduced density matrices of the critical chain given random measurement results. Such generation is enabled by a physics-preserving conditional diffusion generative model, which learns an observation-indexed probability distribution of an ensemble of quantum states, and then samples from that distribution given an observation.
Scaling Law for Language Models Training Considering Batch Size
Authors: Xian Shuai, Yiding Wang, Yimeng Wu, Xin Jiang, Xiaozhe Ren
Date: 2024-12-02 00:00:00

Large language models (LLMs) have made remarkable advances in recent years, with scaling laws playing a critical role in this rapid progress. In this paper, we empirically investigate how a critical hyper-parameter, i.e., the global batch size, influences the LLM training prdocess. We begin by training language models ranging from 125 million to 2.6 billion parameters, using up to 300 billion high-quality tokens. Through these experiments, we establish a basic scaling law on model size and training data amount. We then examine how varying batch sizes and learning rates affect the convergence and generalization of these models. Our analysis yields batch size scaling laws under two different cases: with a fixed compute budget, and with a fixed amount of training data. Extrapolation experiments on models of increasing sizes validate our predicted laws, which provides guidance for optimizing LLM training strategies under specific resource constraints.
TACO: Training-free Sound Prompted Segmentation via Semantically Constrained Audio-visual CO-factorization
Authors: Hugo Malard, Michel Olvera, Stephane Lathuiliere, Slim Essid
Date: 2024-12-02 00:00:00
Tasks: Segmentation

Large-scale pre-trained audio and image models demonstrate an unprecedented degree of generalization, making them suitable for a wide range of applications. Here, we tackle the specific task of sound-prompted segmentation, aiming to segment image regions corresponding to objects heard in an audio signal. Most existing approaches tackle this problem by fine-tuning pre-trained models or by training additional modules specifically for the task. We adopt a different strategy: we introduce a training-free approach that leverages Non-negative Matrix Factorization (NMF) to co-factorize audio and visual features from pre-trained models so as to reveal shared interpretable concepts. These concepts are passed on to an open-vocabulary segmentation model for precise segmentation maps. By using frozen pre-trained models, our method achieves high generalization and establishes state-of-the-art performance in unsupervised sound-prompted segmentation, significantly surpassing previous unsupervised methods.
ConsistentFeature: A Plug-and-Play Component for Neural Network Regularization
Authors: Ruizhe Jiang, Haotian Lei
Date: 2024-12-02 00:00:00

Over-parameterized neural network models often lead to significant performance discrepancies between training and test sets, a phenomenon known as overfitting. To address this, researchers have proposed numerous regularization techniques tailored to various tasks and model architectures. In this paper, we introduce a simple perspective on overfitting: models learn different representations in different i.i.d. datasets. Based on this viewpoint, we propose an adaptive method, ConsistentFeature, that regularizes the model by constraining feature differences across random subsets of the same training set. Due to minimal prior assumptions, this approach is applicable to almost any architecture and task. Our experiments show that it effectively reduces overfitting, with low sensitivity to hyperparameters and minimal computational cost. It demonstrates particularly strong memory suppression and promotes normal convergence, even when the model has already started to overfit. Even in the absence of significant overfitting, our method consistently improves accuracy and reduces validation loss.
Bio-Inspired Adaptive Neurons for Dynamic Weighting in Artificial Neural Networks
Authors: Ashhadul Islam, Abdesselam Bouzerdoum, Samir Brahim Belhaouari
Date: 2024-12-02 00:00:00

Traditional neural networks employ fixed weights during inference, limiting their ability to adapt to changing input conditions, unlike biological neurons that adjust signal strength dynamically based on stimuli. This discrepancy between artificial and biological neurons constrains neural network flexibility and adaptability. To bridge this gap, we propose a novel framework for adaptive neural networks, where neuron weights are modeled as functions of the input signal, allowing the network to adjust dynamically in real-time. Importantly, we achieve this within the same traditional architecture of an Artificial Neural Network, maintaining structural familiarity while introducing dynamic adaptability. In our research, we apply Chebyshev polynomials as one of the many possible decomposition methods to achieve this adaptive weighting mechanism, with polynomial coefficients learned during training. Out of the 145 datasets tested, our adaptive Chebyshev neural network demonstrated a marked improvement over an equivalent MLP in approximately 8\% of cases, performing strictly better on 121 datasets. In the remaining 24 datasets, the performance of our algorithm matched that of the MLP, highlighting its ability to generalize standard neural network behavior while offering enhanced adaptability. As a generalized form of the MLP, this model seamlessly retains MLP performance where needed while extending its capabilities to achieve superior accuracy across a wide range of complex tasks. These results underscore the potential of adaptive neurons to enhance generalization, flexibility, and robustness in neural networks, particularly in applications with dynamic or non-linear data dependencies.
Task Adaptation of Reinforcement Learning-based NAS Agents through Transfer Learning
Authors: Amber Cassimon, Siegfried Mercelis, Kevin Mets
Date: 2024-12-02 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Transfer Learning

Recently, a novel paradigm has been proposed for reinforcement learning-based NAS agents, that revolves around the incremental improvement of a given architecture. We assess the abilities of such reinforcement learning agents to transfer between different tasks. We perform our evaluation using the Trans-NASBench-101 benchmark, and consider the efficacy of the transferred agents, as well as how quickly they can be trained. We find that pretraining an agent on one task benefits the performance of the agent in another task in all but 1 task when considering final performance. We also show that the training procedure for an agent can be shortened significantly by pretraining it on another task. Our results indicate that these effects occur regardless of the source or target task, although they are more pronounced for some tasks than for others. Our results show that transfer learning can be an effective tool in mitigating the computational cost of the initial training procedure for reinforcement learning-based NAS agents.
Machine Learning Analysis of Anomalous Diffusion
Authors: Wenjie Cai, Yi Hu, Xiang Qu, Hui Zhao, Gongyi Wang, Jing Li, Zihan Huang
Date: 2024-12-02 00:00:00
Tasks: Representation Learning

The rapid advancements in machine learning have made its application to anomalous diffusion analysis both essential and inevitable. This review systematically introduces the integration of machine learning techniques for enhanced analysis of anomalous diffusion, focusing on two pivotal aspects: single trajectory characterization via machine learning and representation learning of anomalous diffusion. We extensively compare various machine learning methods, including both classical machine learning and deep learning, used for the inference of diffusion parameters and trajectory segmentation. Additionally, platforms such as the Anomalous Diffusion Challenge that serve as benchmarks for evaluating these methods are highlighted. On the other hand, we outline three primary strategies for representing anomalous diffusion: the combination of predefined features, the feature vector from the penultimate layer of neural network, and the latent representation from the autoencoder, analyzing their applicability across various scenarios. This investigation paves the way for future research, offering valuable perspectives that can further enrich the study of anomalous diffusion and advance the application of artificial intelligence in statistical physics and biophysics.
Refined Analysis of Federated Averaging's Bias and Federated Richardson-Romberg Extrapolation
Authors: Paul Mangold, Alain Durmus, Aymeric Dieuleveut, Sergey Samsonov, Eric Moulines
Date: 2024-12-02 00:00:00

In this paper, we present a novel analysis of FedAvg with constant step size, relying on the Markov property of the underlying process. We demonstrate that the global iterates of the algorithm converge to a stationary distribution and analyze its resulting bias and variance relative to the problem's solution. We provide a first-order expansion of the bias in both homogeneous and heterogeneous settings. Interestingly, this bias decomposes into two distinct components: one that depends solely on stochastic gradient noise and another on client heterogeneity. Finally, we introduce a new algorithm based on the Richardson-Romberg extrapolation technique to mitigate this bias.
Efficient LLM Inference using Dynamic Input Pruning and Cache-Aware Masking
Authors: Marco Federici, Davide Belli, Mart van Baalen, Amir Jalalirad, Andrii Skliar, Bence Major, Markus Nagel, Paul Whatmough
Date: 2024-12-02 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model

While mobile devices provide ever more compute power, improvements in DRAM bandwidth are much slower. This is unfortunate for large language model (LLM) token generation, which is heavily memory-bound. Previous work has proposed to leverage natural dynamic activation sparsity in ReLU-activated LLMs to reduce effective DRAM bandwidth per token. However, more recent LLMs use SwiGLU instead of ReLU, which result in little inherent sparsity. While SwiGLU activations can be pruned based on magnitude, the resulting sparsity patterns are difficult to predict, rendering previous approaches ineffective. To circumvent this issue, our work introduces Dynamic Input Pruning (DIP): a predictor-free dynamic sparsification approach, which preserves accuracy with minimal fine-tuning. DIP can further use lightweight LoRA adapters to regain some performance lost during sparsification. Lastly, we describe a novel cache-aware masking strategy, which considers the cache state and activation magnitude to further increase cache hit rate, improving LLM token rate on mobile devices. DIP outperforms other methods in terms of accuracy, memory and throughput trade-offs across simulated hardware settings. On Phi-3-Medium, DIP achieves a 46% reduction in memory and 40% increase in throughput with $<$ 0.1 loss in perplexity.
A deformation-based framework for learning solution mappings of PDEs defined on varying domains
Authors: Shanshan Xiao, Pengzhan Jin, Yifa Tang
Date: 2024-12-02 00:00:00

In this work, we establish a deformation-based framework for learning solution mappings of PDEs defined on varying domains. The union of functions defined on varying domains can be identified as a metric space according to the deformation, then the solution mapping is regarded as a continuous metric-to-metric mapping, and subsequently can be represented by another continuous metric-to-Banach mapping using two different strategies, referred to as the D2D framework and the D2E framework, respectively. We point out that such a metric-to-Banach mapping can be learned by neural networks, hence the solution mapping is accordingly learned. With this framework, a rigorous convergence analysis is built for the problem of learning solution mappings of PDEs on varying domains. As the theoretical framework holds based on several pivotal assumptions which need to be verified for a given specific problem, we study the star domains as a typical example, and other situations could be similarly verified. There are three important features of this framework: (1) The domains under consideration are not required to be diffeomorphic, therefore a wide range of regions can be covered by one model provided they are homeomorphic. (2) The deformation mapping is unnecessary to be continuous, thus it can be flexibly established via combining a primary identity mapping and a local deformation mapping. This capability facilitates the resolution of large systems where only local parts of the geometry undergo change. (3) If a linearity-preserving neural operator such as MIONet is adopted, this framework still preserves the linearity of the surrogate solution mapping on its source term for linear PDEs, thus it can be applied to the hybrid iterative method. We finally present several numerical experiments to validate our theoretical results.
Hierarchical VAE with a Diffusion-based VampPrior
Authors: Anna Kuzina, Jakub M. Tomczak
Date: 2024-12-02 00:00:00
Tasks: Density Estimation, Image Generation

Deep hierarchical variational autoencoders (VAEs) are powerful latent variable generative models. In this paper, we introduce Hierarchical VAE with Diffusion-based Variational Mixture of the Posterior Prior (VampPrior). We apply amortization to scale the VampPrior to models with many stochastic layers. The proposed approach allows us to achieve better performance compared to the original VampPrior work and other deep hierarchical VAEs, while using fewer parameters. We empirically validate our method on standard benchmark datasets (MNIST, OMNIGLOT, CIFAR10) and demonstrate improved training stability and latent space utilization.
Practical Performative Policy Learning with Strategic Agents
Authors: Qianyi Chen, Ying Chen, Bo Li
Date: 2024-12-02 00:00:00
Tasks: Causal Inference

This paper studies the performative policy learning problem, where agents adjust their features in response to a released policy to improve their potential outcomes, inducing an endogenous distribution shift. There has been growing interest in training machine learning models in strategic environments, including strategic classification and performative prediction. However, existing approaches often rely on restrictive parametric assumptions: micro-level utility models in strategic classification and macro-level data distribution maps in performative prediction, severely limiting scalability and generalizability. We approach this problem as a complex causal inference task, relaxing parametric assumptions on both micro-level agent behavior and macro-level data distribution. Leveraging bounded rationality, we uncover a practical low-dimensional structure in distribution shifts and construct an effective mediator in the causal path from the deployed model to the shifted data. We then propose a gradient-based policy optimization algorithm with a differentiable classifier as a substitute for the high-dimensional distribution map. Our algorithm efficiently utilizes batch feedback and limited manipulation patterns. Our approach achieves high sample efficiency compared to methods reliant on bandit feedback or zero-order optimization. We also provide theoretical guarantees for algorithmic convergence. Extensive and challenging experiments on high-dimensional settings demonstrate our method's practical efficacy.
A Versatile Influence Function for Data Attribution with Non-Decomposable Loss
Authors: Junwei Deng, Weijing Tang, Jiaqi W. Ma
Date: 2024-12-02 00:00:00
Tasks: Information Retrieval, Learning-To-Rank, Survival Analysis

Influence function, a technique rooted in robust statistics, has been adapted in modern machine learning for a novel application: data attribution -- quantifying how individual training data points affect a model's predictions. However, the common derivation of influence functions in the data attribution literature is limited to loss functions that can be decomposed into a sum of individual data point losses, with the most prominent examples known as M-estimators. This restricts the application of influence functions to more complex learning objectives, which we refer to as non-decomposable losses, such as contrastive or ranking losses, where a unit loss term depends on multiple data points and cannot be decomposed further. In this work, we bridge this gap by revisiting the general formulation of influence function from robust statistics, which extends beyond M-estimators. Based on this formulation, we propose a novel method, the Versatile Influence Function (VIF), that can be straightforwardly applied to machine learning models trained with any non-decomposable loss. In comparison to the classical approach in statistics, the proposed VIF is designed to fully leverage the power of auto-differentiation, hereby eliminating the need for case-specific derivations of each loss function. We demonstrate the effectiveness of VIF across three examples: Cox regression for survival analysis, node embedding for network analysis, and listwise learning-to-rank for information retrieval. In all cases, the influence estimated by VIF closely resembles the results obtained by brute-force leave-one-out retraining, while being up to $10^3$ times faster to compute. We believe VIF represents a significant advancement in data attribution, enabling efficient influence-function-based attribution across a wide range of machine learning paradigms, with broad potential for practical use cases.
Exploring Long-Term Prediction of Type 2 Diabetes Microvascular Complications
Authors: Elizabeth Remfry, Rafael Henkin, Michael R Barnes, Aakanksha Naik
Date: 2024-12-02 00:00:00

Electronic healthcare records (EHR) contain a huge wealth of data that can support the prediction of clinical outcomes. EHR data is often stored and analysed using clinical codes (ICD10, SNOMED), however these can differ across registries and healthcare providers. Integrating data across systems involves mapping between different clinical ontologies requiring domain expertise, and at times resulting in data loss. To overcome this, code-agnostic models have been proposed. We assess the effectiveness of a code-agnostic representation approach on the task of long-term microvascular complication prediction for individuals living with Type 2 Diabetes. Our method encodes individual EHRs as text using fine-tuned, pretrained clinical language models. Leveraging large-scale EHR data from the UK, we employ a multi-label approach to simultaneously predict the risk of microvascular complications across 1-, 5-, and 10-year windows. We demonstrate that a code-agnostic approach outperforms a code-based model and illustrate that performance is better with longer prediction windows but is biased to the first occurring complication. Overall, we highlight that context length is vitally important for model performance. This study highlights the possibility of including data from across different clinical ontologies and is a starting point for generalisable clinical models.
Morphological-Symmetry-Equivariant Heterogeneous Graph Neural Network for Robotic Dynamics Learning
Authors: Fengze Xie, Sizhe Wei, Yue Song, Yisong Yue, Lu Gan
Date: 2024-12-02 00:00:00
Tasks: Graph Neural Network

We present a morphological-symmetry-equivariant heterogeneous graph neural network, namely MS-HGNN, for robotic dynamics learning, that integrates robotic kinematic structures and morphological symmetries into a single graph network. These structural priors are embedded into the learning architecture as constraints, ensuring high generalizability, sample and model efficiency. The proposed MS-HGNN is a versatile and general architecture that is applicable to various multi-body dynamic systems and a wide range of dynamics learning problems. We formally prove the morphological-symmetry-equivariant property of our MS-HGNN and validate its effectiveness across multiple quadruped robot learning problems using both real-world and simulated data. Our code is made publicly available at https://github.com/lunarlab-gatech/MorphSym-HGNN/.
Big data approach to Kazhdan-Lusztig polynomials
Authors: Abel Lacabanne, Daniel Tubbenhauer, Pedro Vaz
Date: 2024-12-02 00:00:00
Tasks: Topological Data Analysis

We investigate the structure of Kazhdan-Lusztig polynomials of the symmetric group by leveraging computational approaches from big data, including exploratory and topological data analysis, applied to the polynomials for symmetric groups of up to 11 strands.
Towards Robust Interpretable Surrogates for Optimization
Authors: Marc Goerigk, Michael Hartisch, Sebastian Merten
Date: 2024-12-02 00:00:00

An important factor in the practical implementation of optimization models is the acceptance by the intended users. This is influenced among other factors by the interpretability of the solution process. Decision rules that meet this requirement can be generated using the framework for inherently interpretable optimization models. In practice, there is often uncertainty about the parameters of an optimization problem. An established way to deal with this challenge is the concept of robust optimization. The goal of our work is to combine both concepts: to create decision trees as surrogates for the optimization process that are more robust to perturbations and still inherently interpretable. For this purpose we present suitable models based on different variants to model uncertainty, and solution methods. Furthermore, the applicability of heuristic methods to perform this task is evaluated. Both approaches are compared with the existing framework for inherently interpretable optimization models.
Quantum Pointwise Convolution: A Flexible and Scalable Approach for Neural Network Enhancement
Authors: An Ning, Tai-Yue Li, Nan-Yow Chen
Date: 2024-12-02 00:00:00
Tasks: Quantum Machine Learning

In this study, we propose a novel architecture, the Quantum Pointwise Convolution, which incorporates pointwise convolution within a quantum neural network framework. Our approach leverages the strengths of pointwise convolution to efficiently integrate information across feature channels while adjusting channel outputs. By using quantum circuits, we map data to a higher-dimensional space, capturing more complex feature relationships. To address the current limitations of quantum machine learning in the Noisy Intermediate-Scale Quantum (NISQ) era, we implement several design optimizations. These include amplitude encoding for data embedding, allowing more information to be processed with fewer qubits, and a weight-sharing mechanism that accelerates quantum pointwise convolution operations, reducing the need to retrain for each input pixels. In our experiments, we applied the quantum pointwise convolution layer to classification tasks on the FashionMNIST and CIFAR10 datasets, where our model demonstrated competitive performance compared to its classical counterpart. Furthermore, these optimizations not only improve the efficiency of the quantum pointwise convolutional layer but also make it more readily deployable in various CNN-based or deep learning models, broadening its potential applications across different architectures.