pwc-archive/papers-with-abstracts huggingface dataset:
HALO: Hadamard-Assisted Lower-Precision Optimization for LLMs
Authors: Saleh Ashkboos, Mahdi Nikdan, Soroush Tabesh, Roberto L. Castro, Torsten Hoefler, Dan Alistarh
Date: 2025-01-05 00:00:00
Tasks: Efficient Neural Network, parameter-efficient fine-tuning, Quantization

Quantized training of Large Language Models (LLMs) remains an open challenge, as maintaining accuracy while performing all matrix multiplications in low precision has proven difficult. This is particularly the case when fine-tuning pre-trained models, which can have large weight and activation outlier values that make lower-precision optimization difficult. To address this, we present HALO, a novel quantization-aware training approach for Transformers that enables accurate and efficient low-precision training by combining 1) strategic placement of Hadamard rotations in both forward and backward passes, which mitigate outliers, 2) high-performance kernel support, and 3) FSDP integration for low-precision communication. Our approach ensures that all large matrix multiplications during the forward and backward passes are executed in lower precision. Applied to LLAMA-family models, HALO achieves near-full-precision-equivalent results during fine-tuning on various tasks, while delivering up to 1.41x end-to-end speedup for full fine-tuning on RTX 4090 GPUs. HALO efficiently supports both standard and parameterefficient fine-tuning (PEFT). Our results demonstrate the first practical approach to fully quantized LLM fine-tuning that maintains accuracy in 8-bit precision, while delivering performance benefits. Code is available at \url{https://github.com/IST-DASLab/HALO}.
LWFNet: Coherent Doppler Wind Lidar-Based Network for Wind Field Retrieval
Authors: Ran Tao, Chong Wang, Hao Chen, Mingjiao Jia, Xiang Shang, Luoyuan Qu, Guoliang Shentu, Yanyu Lu, Yanfeng Huo, Lei Bai, Xianghui Xue, Xiankang Dou
Date: 2025-01-05 00:00:00
Tasks: Retrieval, Weather Forecasting

Accurate detection of wind fields within the troposphere is essential for atmospheric dynamics research and plays a crucial role in extreme weather forecasting. Coherent Doppler wind lidar (CDWL) is widely regarded as the most suitable technique for high spatial and temporal resolution wind field detection. However, since coherent detection relies heavily on the concentration of aerosol particles, which cause Mie scattering, the received backscattering lidar signal exhibits significantly low intensity at high altitudes. As a result, conventional methods, such as spectral centroid estimation, often fail to produce credible and accurate wind retrieval results in these regions. To address this issue, we propose LWFNet, the first Lidar-based Wind Field (WF) retrieval neural Network, built upon Transformer and the Kolmogorov-Arnold network. Our model is trained solely on targets derived from the traditional wind retrieval algorithm and utilizes radiosonde measurements as the ground truth for test results evaluation. Experimental results demonstrate that LWFNet not only extends the maximum wind field detection range but also produces more accurate results, exhibiting a level of precision that surpasses the labeled targets. This phenomenon, which we refer to as super-accuracy, is explored by investigating the potential underlying factors that contribute to this intriguing occurrence. In addition, we compare the performance of LWFNet with other state-of-the-art (SOTA) models, highlighting its superior effectiveness and capability in high-resolution wind retrieval. LWFNet demonstrates remarkable performance in lidar-based wind field retrieval, setting a benchmark for future research and advancing the development of deep learning models in this domain.
Chameleon2++: An Efficient Chameleon2 Clustering with Approximate Nearest Neighbors
Authors: Priyanshu Singh, Kapil Ahuja
Date: 2025-01-05 00:00:00
Tasks: Clustering

Clustering algorithms are fundamental tools in data analysis, with hierarchical methods being particularly valuable for their flexibility. Chameleon is a widely used hierarchical clustering algorithm that excels at identifying high-quality clusters of arbitrary shapes, sizes, and densities. Chameleon2 is the most recent variant that has demonstrated significant improvements, but suffers from critical failings and there are certain improvements that can be made. The first failure we address is that the complexity of Chameleon2 is claimed to be $O(n^2)$, while we demonstrate that it is actually $O(n^2\log{n})$, with $n$ being the number of data points. Furthermore, we suggest improvements to Chameleon2 that ensure that the complexity remains $O(n^2)$ with minimal to no loss of performance. The second failing of Chameleon2 is that it lacks transparency and it does not provide the fine-tuned algorithm parameters used to obtain the claimed results. We meticulously provide all such parameter values to enhance replicability. The improvement which we make in Chameleon2 is that we replace the exact $k$-NN search with an approximate $k$-NN search. This further reduces the algorithmic complexity down to $O(n\log{n})$ without any performance loss. Here, we primarily configure three approximate nearest neighbor search algorithms (Annoy, FLANN and NMSLIB) to align with the overarching Chameleon2 clustering framework. Experimental evaluations on standard benchmark datasets demonstrate that the proposed Chameleon2++ algorithm is more efficient, robust, and computationally optimal.
LeetDecoding: A PyTorch Library for Exponentially Decaying Causal Linear Attention with CUDA Implementations
Authors: Jiaping Wang, Simiao Zhang, Qiao-Chu He, Yifan Chen
Date: 2025-01-05 00:00:00
Tasks: GPU

The machine learning and data science community has made significant while dispersive progress in accelerating transformer-based large language models (LLMs), and one promising approach is to replace the original causal attention in a generative pre-trained transformer (GPT) with \emph{exponentially decaying causal linear attention}. In this paper, we present LeetDecoding, which is the first Python package that provides a large set of computation routines for this fundamental operator. The launch of LeetDecoding was motivated by the current lack of (1) clear understanding of the complexity regarding this operator, (2) a comprehensive collection of existing computation methods (usually spread in seemingly unrelated fields), and (3) CUDA implementations for fast inference on GPU. LeetDecoding's design is easy to integrate with existing linear-attention LLMs, and allows for researchers to benchmark and evaluate new computation methods for exponentially decaying causal linear attention. The usage of LeetDecoding does not require any knowledge of GPU programming and the underlying complexity analysis, intentionally making LeetDecoding accessible to LLM practitioners. The source code of LeetDecoding is provided at \href{https://github.com/Computational-Machine-Intelligence/LeetDecoding}{this GitHub repository}, and users can simply install LeetDecoding by the command \texttt{pip install leet-decoding}.
Efficient Graph Condensation via Gaussian Process
Authors: Lin Wang, Qing Li
Date: 2025-01-05 00:00:00

Graph condensation reduces the size of large graphs while preserving performance, addressing the scalability challenges of Graph Neural Networks caused by computational inefficiencies on large datasets. Existing methods often rely on bi-level optimization, requiring extensive GNN training and limiting their scalability. To address these issues, this paper proposes Graph Condensation via Gaussian Process (GCGP), a novel and computationally efficient approach to graph condensation. GCGP utilizes a Gaussian Process (GP), with the condensed graph serving as observations, to estimate the posterior distribution of predictions. This approach eliminates the need for the iterative and resource-intensive training typically required by GNNs. To enhance the capability of the GCGP in capturing dependencies between function values, we derive a specialized covariance function that incorporates structural information. This covariance function broadens the receptive field of input nodes by local neighborhood aggregation, thereby facilitating the representation of intricate dependencies within the nodes. To address the challenge of optimizing binary structural information in condensed graphs, Concrete random variables are utilized to approximate the binary adjacency matrix in a continuous counterpart. This relaxation process allows the adjacency matrix to be represented in a differentiable form, enabling the application of gradient-based optimization techniques to discrete graph structures. Experimental results show that the proposed GCGP method efficiently condenses large-scale graph data while preserving predictive performance, addressing the scalability and efficiency challenges. The implementation of our method is publicly available at https://github.com/WANGLin0126/GCGP.
Transformers Simulate MLE for Sequence Generation in Bayesian Networks
Authors: Yuan Cao, Yihan He, Dennis Wu, Hong-Yu Chen, Jianqing Fan, Han Liu
Date: 2025-01-05 00:00:00

Transformers have achieved significant success in various fields, notably excelling in tasks involving sequential data like natural language processing. Despite these achievements, the theoretical understanding of transformers' capabilities remains limited. In this paper, we investigate the theoretical capabilities of transformers to autoregressively generate sequences in Bayesian networks based on in-context maximum likelihood estimation (MLE). Specifically, we consider a setting where a context is formed by a set of independent sequences generated according to a Bayesian network. We demonstrate that there exists a simple transformer model that can (i) estimate the conditional probabilities of the Bayesian network according to the context, and (ii) autoregressively generate a new sample according to the Bayesian network with estimated conditional probabilities. We further demonstrate in extensive experiments that such a transformer does not only exist in theory, but can also be effectively obtained through training. Our analysis highlights the potential of transformers to learn complex probabilistic models and contributes to a better understanding of large language models as a powerful class of sequence generators.
Unified Guidance for Geometry-Conditioned Molecular Generation
Authors: Sirine Ayadi, Leon Hetzel, Johanna Sommer, Fabian Theis, Stephan Günnemann
Date: 2025-01-05 00:00:00
Tasks: Drug Design

Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative models and, in particular, diffusion models. However, current molecular diffusion models are tailored towards a specific downstream task and lack adaptability. We introduce UniGuide, a framework for controlled geometric guidance of unconditional diffusion models that allows flexible conditioning during inference without the requirement of extra training or networks. We show how applications such as structure-based, fragment-based, and ligand-based drug design are formulated in the UniGuide framework and demonstrate on-par or superior performance compared to specialised models. Offering a more versatile approach, UniGuide has the potential to streamline the development of molecular generative models, allowing them to be readily used in diverse application scenarios.
Predicting Vulnerability to Malware Using Machine Learning Models: A Study on Microsoft Windows Machines
Authors: Marzieh Esnaashari, Nima Moradi
Date: 2025-01-05 00:00:00
Tasks: Feature Engineering, Malware Detection

In an era of escalating cyber threats, malware poses significant risks to individuals and organizations, potentially leading to data breaches, system failures, and substantial financial losses. This study addresses the urgent need for effective malware detection strategies by leveraging Machine Learning (ML) techniques on extensive datasets collected from Microsoft Windows Defender. Our research aims to develop an advanced ML model that accurately predicts malware vulnerabilities based on the specific conditions of individual machines. Moving beyond traditional signature-based detection methods, we incorporate historical data and innovative feature engineering to enhance detection capabilities. This study makes several contributions: first, it advances existing malware detection techniques by employing sophisticated ML algorithms; second, it utilizes a large-scale, real-world dataset to ensure the applicability of findings; third, it highlights the importance of feature analysis in identifying key indicators of malware infections; and fourth, it proposes models that can be adapted for enterprise environments, offering a proactive approach to safeguarding extensive networks against emerging threats. We aim to improve cybersecurity resilience, providing critical insights for practitioners in the field and addressing the evolving challenges posed by malware in a digital landscape. Finally, discussions on results, insights, and conclusions are presented.
IRIS: A Bayesian Approach for Image Reconstruction in Radio Interferometry with expressive Score-Based priors
Authors: Noé Dia, M. J. Yantovski-Barth, Alexandre Adam, Micah Bowles, Laurence Perreault-Levasseur, Yashar Hezaveh, Anna Scaife
Date: 2025-01-05 00:00:00
Tasks: Astronomy, Image Reconstruction, Radio Interferometry

Inferring sky surface brightness distributions from noisy interferometric data in a principled statistical framework has been a key challenge in radio astronomy. In this work, we introduce Imaging for Radio Interferometry with Score-based models (IRIS). We use score-based models trained on optical images of galaxies as an expressive prior in combination with a Gaussian likelihood in the uv-space to infer images of protoplanetary disks from visibility data of the DSHARP survey conducted by ALMA. We demonstrate the advantages of this framework compared with traditional radio interferometry imaging algorithms, showing that it produces plausible posterior samples despite the use of a misspecified galaxy prior. Through coverage testing on simulations, we empirically evaluate the accuracy of this approach to generate calibrated posterior samples.
Network Dynamics-Based Framework for Understanding Deep Neural Networks
Authors: YuChen Lin, Yong Zhang, Sihan Feng, Hong Zhao
Date: 2025-01-05 00:00:00

Advancements in artificial intelligence call for a deeper understanding of the fundamental mechanisms underlying deep learning. In this work, we propose a theoretical framework to analyze learning dynamics through the lens of dynamical systems theory. We redefine the notions of linearity and nonlinearity in neural networks by introducing two fundamental transformation units at the neuron level: order-preserving transformations and non-order-preserving transformations. Different transformation modes lead to distinct collective behaviors in weight vector organization, different modes of information extraction, and the emergence of qualitatively different learning phases. Transitions between these phases may occur during training, accounting for key phenomena such as grokking. To further characterize generalization and structural stability, we introduce the concept of attraction basins in both sample and weight spaces. The distribution of neurons with different transformation modes across layers, along with the structural characteristics of the two types of attraction basins, forms a set of core metrics for analyzing the performance of learning models. Hyperparameters such as depth, width, learning rate, and batch size act as control variables for fine-tuning these metrics. Our framework not only sheds light on the intrinsic advantages of deep learning, but also provides a novel perspective for optimizing network architectures and training strategies.
Scaling Laws for Floating Point Quantization Training
Authors: Xingwu Sun, Shuaipeng Li, Ruobing Xie, Weidong Han, Kan Wu, Zhen Yang, Yixing Li, An Wang, Shuai Li, Jinbao Xue, Yu Cheng, Yangyu Tao, Zhanhui Kang, Chengzhong Xu, Di Wang, Jie Jiang
Date: 2025-01-05 00:00:00
Tasks: Quantization

Low-precision training is considered an effective strategy for reducing both training and downstream inference costs. Previous scaling laws for precision mainly focus on integer quantization, which pay less attention to the constituents in floating-point (FP) quantization, and thus cannot well fit the LLM losses in this scenario. In contrast, while FP quantization training is more commonly implemented in production, it's research has been relatively superficial. In this paper, we thoroughly explore the effects of FP quantization targets, exponent bits, mantissa bits, and the calculation granularity of the scaling factor in FP quantization training performance of LLM models. In addition to an accurate FP quantization unified scaling law, we also provide valuable suggestions for the community: (1) Exponent bits contribute slightly more to the model performance than mantissa bits. We provide the optimal exponent-mantissa bit ratio for different bit numbers, which is available for future reference by hardware manufacturers; (2) We discover the formation of the critical data size in low-precision LLM training. Too much training data exceeding the critical data size will inversely bring in degradation of LLM performance; (3) The optimal FP quantization precision is directly proportional to the computational power, but within a wide computational power range. We estimate that the best cost-performance precision should lie between 4-8 bits.
Transfer learning via Regularized Linear Discriminant Analysis
Authors: Hongzhe Zhang, Arnab Auddy, Hongzhe Lee
Date: 2025-01-05 00:00:00
Tasks: Classification, Transfer Learning

Linear discriminant analysis is a widely used method for classification. However, the high dimensionality of predictors combined with small sample sizes often results in large classification errors. To address this challenge, it is crucial to leverage data from related source models to enhance the classification performance of a target model. We propose to address this problem in the framework of transfer learning. In this paper, we present novel transfer learning methods via regularized random-effects linear discriminant analysis, where the discriminant direction is estimated as a weighted combination of ridge estimates obtained from both the target and source models. Multiple strategies for determining these weights are introduced and evaluated, including one that minimizes the estimation risk of the discriminant vector and another that minimizes the classification error. Utilizing results from random matrix theory, we explicitly derive the asymptotic values of these weights and the associated classification error rates in the high-dimensional setting, where $p/n \rightarrow \gamma$, with $p$ representing the predictor dimension and $n$ the sample size. We also provide geometric interpretations of various weights and a guidance on which weights to choose. Extensive numerical studies, including simulations and analysis of proteomics-based 10-year cardiovascular disease risk classification, demonstrate the effectiveness of the proposed approach.
Towards the Anonymization of the Language Modeling
Authors: Antoine Boutet, Lucas Magnana, Juliette Sénéchal, Helain Zimmermann
Date: 2025-01-05 00:00:00
Tasks: Causal Language Modeling, Language Modeling, Language Modelling, Privacy Preserving

Rapid advances in Natural Language Processing (NLP) have revolutionized many fields, including healthcare. However, these advances raise significant privacy concerns, especially when pre-trained models fine-tuned and specialized on sensitive data can memorize and then expose and regurgitate personal information. This paper presents a privacy-preserving language modeling approach to address the problem of language models anonymization, and thus promote their sharing. Specifically, we propose both a Masking Language Modeling (MLM) methodology to specialize a BERT-like language model, and a Causal Language Modeling (CLM) methodology to specialize a GPT-like model that avoids the model from memorizing direct and indirect identifying information present in the training data. We have comprehensively evaluated our approaches using a medical dataset and compared them against different baselines. Our results indicate that by avoiding memorizing both direct and indirect identifiers during model specialization, our masking and causal language modeling schemes offer a good tradeoff for maintaining high privacy while retaining high utility.
Tensor-GaLore: Memory-Efficient Training via Gradient Tensor Decomposition
Authors: Robert Joseph George, David Pitt, Jiawei Zhao, Jean Kossaifi, Cheng Luo, Yuandong Tian, Anima Anandkumar
Date: 2025-01-04 00:00:00
Tasks: Tensor Decomposition

We present Tensor-GaLore, a novel method for efficient training of neural networks with higher-order tensor weights. Many models, particularly those used in scientific computing, employ tensor-parameterized layers to capture complex, multidimensional relationships. When scaling these methods to high-resolution problems makes memory usage grow intractably, and matrix based optimization methods lead to suboptimal performance and compression. We propose to work directly in the high-order space of the complex tensor parameter space using a tensor factorization of the gradients during optimization. We showcase its effectiveness on Fourier Neural Operators (FNOs), a class of models crucial for solving partial differential equations (PDE) and prove the theory of it. Across various PDE tasks like the Navier Stokes and Darcy Flow equations, Tensor-GaLore achieves substantial memory savings, reducing optimizer memory usage by up to 75%. These substantial memory savings across AI for science demonstrate Tensor-GaLore's potential.
A ghost mechanism: An analytical model of abrupt learning
Authors: Fatih Dinc, Ege Cirakman, Yiqi Jiang, Mert Yuksekgonul, Mark J. Schnitzer, Hidenori Tanaka
Date: 2025-01-04 00:00:00

\emph{Abrupt learning} is commonly observed in neural networks, where long plateaus in network performance are followed by rapid convergence to a desirable solution. Yet, despite its common occurrence, the complex interplay of task, network architecture, and learning rule has made it difficult to understand the underlying mechanisms. Here, we introduce a minimal dynamical system trained on a delayed-activation task and demonstrate analytically how even a one-dimensional system can exhibit abrupt learning through ghost points rather than bifurcations. Through our toy model, we show that the emergence of a ghost point destabilizes learning dynamics. We identify a critical learning rate that prevents learning through two distinct loss landscape features: a no-learning zone and an oscillatory minimum. Testing these predictions in recurrent neural networks (RNNs), we confirm that ghost points precede abrupt learning and accompany the destabilization of learning. We demonstrate two complementary remedies: lowering the model output confidence prevents the network from getting stuck in no-learning zones, while increasing trainable ranks beyond task requirements (\textit{i.e.}, adding sloppy parameters) provides more stable learning trajectories. Our model reveals a bifurcation-free mechanism for abrupt learning and illustrates the importance of both deliberate uncertainty and redundancy in stabilizing learning dynamics.