pwc-archive/papers-with-abstracts huggingface dataset:
K-SAM: A Prompting Method Using Pretrained U-Net to Improve Zero Shot Performance of SAM on Lung Segmentation in CXR Images
Authors: Mohamed Deriche, Mohammad Marufur
Date: 2024-10-09 00:00:00
Tasks: Diagnostic, Segmentation

In clinical procedures, precise localization of the target area is an essential step for clinical diagnosis and screening. For many diagnostic applications, lung segmentation of chest X-ray images is an essential first step that significantly reduces the image size to speed up the subsequent analysis. One of the primary difficulties with this task is segmenting the lung regions covered by dense abnormalities also known as opacities due to diseases like pneumonia and tuberculosis. SAM has astonishing generalization capabilities for category agnostic segmentation. In this study we propose an algorithm to improve zero shot performance of SAM on lung region segmentation task by automatic prompt selection. Two separate UNet models were trained, one for predicting lung segments and another for heart segment. Though these predictions lack fine details around the edges, they provide positive and negative points as prompt for SAM. Using proposed prompting method zero shot performance of SAM is evaluated on two benchmark datasets. ViT-l version of the model achieved slightly better performance compared to other two versions, ViTh and ViTb. It yields an average Dice score of 95.5 percent and 94.9 percent on hold out data for two datasets respectively. Though, for most of the images, SAM did outstanding segmentation, its prediction was way off for some of the images. After careful inspection it is found that all of these images either had extreme abnormality or distorted shape. Unlike most of the research performed so far on lung segmentation from CXR images using SAM, this study proposes a fully automated prompt selection process only from the input image. Our finding indicates that using pretrained models for prompt selection can utilize SAM impressive generalization capability to its full extent.
Learning a Neural Solver for Parametric PDE to Enhance Physics-Informed Methods
Authors: Lise Le Boudec, Emmanuel de Bezenac, Louis Serrano, Ramon Daniel Regueiro-Espino, Yuan Yin, Patrick Gallinari
Date: 2024-10-09 00:00:00

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem, caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach addresses parametric PDEs. Specifically, our method integrates the physical loss gradient with the PDE parameters to solve over a distribution of PDE parameters, including coefficients, initial conditions, or boundary conditions. We demonstrate the effectiveness of our method through empirical experiments on multiple datasets, comparing training and test-time optimization performance.
Shap-Select: Lightweight Feature Selection Using SHAP Values and Regression
Authors: Egor Kraev, Baran Koseoglu, Luca Traverso, Mohammed Topiwalla
Date: 2024-10-09 00:00:00
Tasks: Computational Efficiency, feature selection, regression, tabular-regression

Feature selection is an essential process in machine learning, especially when dealing with high-dimensional datasets. It helps reduce the complexity of machine learning models, improve performance, mitigate overfitting, and decrease computation time. This paper presents a novel feature selection framework, shap-select. The framework conducts a linear or logistic regression of the target on the Shapley values of the features, on the validation set, and uses the signs and significance levels of the regression coefficients to implement an efficient heuristic for feature selection in tabular regression and classification tasks. We evaluate shap-select on the Kaggle credit card fraud dataset, demonstrating its effectiveness compared to established methods such as Recursive Feature Elimination (RFE), HISEL (a mutual information-based feature selection method), Boruta and a simpler Shapley value-based method. Our findings show that shap-select combines interpretability, computational efficiency, and performance, offering a robust solution for feature selection.
The Clear Sky Corridor: Insights Towards Aerosol Formation in Exoplanets Using An AI-based Survey of Exoplanet Atmospheres
Authors: Reza Ashtari, Kevin B. Stevenson, David Sing, Mercedes Lopez-Morales, Munazza K. Alam, Nikolay K. Nikolov, Thomas M. Evans-Soma
Date: 2024-10-09 00:00:00

Producing optimized and accurate transmission spectra of exoplanets from telescope data has traditionally been a manual and labor-intensive procedure. Here we present the results of the first attempt to improve and standardize this procedure using artificial intelligence (AI) based processing of light curves and spectroscopic data from transiting exoplanets observed with the Hubble Space Telescope's (HST) Wide Field Camera 3 (WFC3) instrument. We implement an AI-based parameter optimizer that autonomously operates the Eureka pipeline to produce homogeneous transmission spectra of publicly available HST WFC3 datasets, spanning exoplanet types from hot Jupiters to sub-Neptunes. Surveying 42 exoplanets with temperatures between 280 and 2580 Kelvin, we confirm modeled relationships between the amplitude of the water band at 1.4um in hot Jupiters and their equilibrium temperatures. We also identify a similar, novel trend in Neptune/sub-Neptune atmospheres, but shifted to cooler temperatures. Excitingly, a planet mass versus equilibrium temperature diagram reveals a "Clear Sky Corridor," where planets between 700 and 1700 Kelvin (depending on the mass) show stronger 1.4um H2O band measurements. This novel trend points to metallicity as a potentially important driver of aerosol formation. As we unveil and include these new discoveries into our understanding of aerosol formation, we enter a thrilling future for the study of exoplanet atmospheres. With HST sculpting this foundational understanding for aerosol formation in various exoplanet types, ranging from Jupiters to sub-Neptunes, we present a compelling platform for the James Webb Space Telescope (JWST) to discover similar atmospheric trends for more planets across a broader wavelength range.
Efficient Weight-Space Laplace-Gaussian Filtering and Smoothing for Sequential Deep Learning
Authors: Joanna Sliwa, Frank Schneider, Nathanael Bosch, Agustinus Kristiadi, Philipp Hennig
Date: 2024-10-09 00:00:00
Tasks: Bayesian Inference, Continual Learning

Efficiently learning a sequence of related tasks, such as in continual learning, poses a significant challenge for neural nets due to the delicate trade-off between catastrophic forgetting and loss of plasticity. We address this challenge with a grounded framework for sequentially learning related tasks based on Bayesian inference. Specifically, we treat the model's parameters as a nonlinear Gaussian state-space model and perform efficient inference using Gaussian filtering and smoothing. This general formalism subsumes existing continual learning approaches, while also offering a clearer conceptual understanding of its components. Leveraging Laplace approximations during filtering, we construct Gaussian posterior measures on the weight space of a neural network for each task. We use it as an efficient regularizer by exploiting the structure of the generalized Gauss-Newton matrix (GGN) to construct diagonal plus low-rank approximations. The dynamics model allows targeted control of the learning process and the incorporation of domain-specific knowledge, such as modeling the type of shift between tasks. Additionally, using Bayesian approximate smoothing can enhance the performance of task-specific models without needing to re-access any data.
Deep End-to-End Survival Analysis with Temporal Consistency
Authors: Mariana Vargas Vieyra, Pascal Frossard
Date: 2024-10-09 00:00:00
Tasks: Survival Analysis

In this study, we present a novel Survival Analysis algorithm designed to efficiently handle large-scale longitudinal data. Our approach draws inspiration from Reinforcement Learning principles, particularly the Deep Q-Network paradigm, extending Temporal Learning concepts to Survival Regression. A central idea in our method is temporal consistency, a hypothesis that past and future outcomes in the data evolve smoothly over time. Our framework uniquely incorporates temporal consistency into large datasets by providing a stable training signal that captures long-term temporal relationships and ensures reliable updates. Additionally, the method supports arbitrarily complex architectures, enabling the modeling of intricate temporal dependencies, and allows for end-to-end training. Through numerous experiments we provide empirical evidence demonstrating our framework's ability to exploit temporal consistency across datasets of varying sizes. Moreover, our algorithm outperforms benchmarks on datasets with long sequences, demonstrating its ability to capture long-term patterns. Finally, ablation studies show how our method enhances training stability.
Safe and High-Performance Learning of Model Predicitve Control using Kernel-Based Interpolation
Authors: Alexander Rose, Philipp Schaub, Rolf Findeisen
Date: 2024-10-09 00:00:00

We present a method, which allows efficient and safe approximation of model predictive controllers using kernel interpolation. Since the computational complexity of the approximating function scales linearly with the number of data points, we propose to use a scoring function which chooses the most promising data. To further reduce the complexity of the approximation, we restrict our considerations to the set of closed-loop reachable states. That is, the approximating function only has to be accurate within this set. This makes our method especially suited for systems, where the set of initial conditions is small. In order to guarantee safety and high performance of the designed approximated controller, we use reachability analysis based on Monte Carlo methods.
Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention
Authors: Siyuan Huang, Yunchong Song, Jiayue Zhou, Zhouhan Lin
Date: 2024-10-09 00:00:00
Tasks: Graph Learning, Node Clustering

In the realm of graph learning, there is a category of methods that conceptualize graphs as hierarchical structures, utilizing node clustering to capture broader structural information. While generally effective, these methods often rely on a fixed graph coarsening routine, leading to overly homogeneous cluster representations and loss of node-level information. In this paper, we envision the graph as a network of interconnected node sets without compressing each cluster into a single embedding. To enable effective information transfer among these node sets, we propose the Node-to-Cluster Attention (N2C-Attn) mechanism. N2C-Attn incorporates techniques from Multiple Kernel Learning into the kernelized attention framework, effectively capturing information at both node and cluster levels. We then devise an efficient form for N2C-Attn using the cluster-wise message-passing framework, achieving linear time complexity. We further analyze how N2C-Attn combines bi-level feature maps of queries and keys, demonstrating its capability to merge dual-granularity information. The resulting architecture, Cluster-wise Graph Transformer (Cluster-GT), which uses node clusters as tokens and employs our proposed N2C-Attn module, shows superior performance on various graph-level tasks. Code is available at https://github.com/LUMIA-Group/Cluster-wise-Graph-Transformer.
Inference over Unseen Entities, Relations and Literals on Knowledge Graphs
Authors: Caglar Demir, N'Dah Jean Kouagou, Arnab Sharma, Axel-Cyrille Ngonga Ngomo
Date: 2024-10-09 00:00:00
Tasks: Graph Embedding, Knowledge Graph Embedding, Knowledge Graphs, Link Prediction

In recent years, knowledge graph embedding models have been successfully applied in the transductive setting to tackle various challenging tasks including link prediction, and query answering. Yet, the transductive setting does not allow for reasoning over unseen entities, relations, let alone numerical or non-numerical literals. Although increasing efforts are put into exploring inductive scenarios, inference over unseen entities, relations, and literals has yet to come. This limitation prohibits the existing methods from handling real-world dynamic knowledge graphs involving heterogeneous information about the world. Here, we propose a remedy to this limitation. We propose the attentive byte-pair encoding layer (BytE) to construct a triple embedding from a sequence of byte-pair encoded subword units of entities and relations. Compared to the conventional setting, BytE leads to massive feature reuse via weight tying, since it forces a knowledge graph embedding model to learn embeddings for subword units instead of entities and relations directly. Consequently, the size of the embedding matrices are not anymore bound to the unique number of entities and relations of a knowledge graph. Experimental results show that BytE improves the link prediction performance of 4 knowledge graph embedding models on datasets where the syntactic representations of triples are semantically meaningful. However, benefits of training a knowledge graph embedding model with BytE dissipate on knowledge graphs where entities and relations are represented with plain numbers or URIs. We provide an open source implementation of BytE to foster reproducible research.
CoBa: Convergence Balancer for Multitask Finetuning of Large Language Models
Authors: Zi Gong, Hang Yu, Cong Liao, Bingchang Liu, Chaoyu Chen, Jianguo Li
Date: 2024-10-09 00:00:00
Tasks: Multi-Task Learning

Multi-task learning (MTL) benefits the fine-tuning of large language models (LLMs) by providing a single model with improved performance and generalization ability across tasks, presenting a resource-efficient alternative to developing separate models for each task. Yet, existing MTL strategies for LLMs often fall short by either being computationally intensive or failing to ensure simultaneous task convergence. This paper presents CoBa, a new MTL approach designed to effectively manage task convergence balance with minimal computational overhead. Utilizing Relative Convergence Scores (RCS), Absolute Convergence Scores (ACS), and a Divergence Factor (DF), CoBa dynamically adjusts task weights during the training process, ensuring that the validation loss of all tasks progress towards convergence at an even pace while mitigating the issue of individual task divergence. The results of our experiments involving three disparate datasets underscore that this approach not only fosters equilibrium in task convergence but enhances the LLMs' performance by up to 13% relative to the second-best baselines. Code is open-sourced at https://github.com/codefuse-ai/MFTCoder.
Gridded Transformer Neural Processes for Large Unstructured Spatio-Temporal Data
Authors: Matthew Ashman, Cristiana Diaconu, Eric Langezaal, Adrian Weller, Richard E. Turner
Date: 2024-10-09 00:00:00
Tasks: Computational Efficiency, Weather Forecasting

Many important problems require modelling large-scale spatio-temporal datasets, with one prevalent example being weather forecasting. Recently, transformer-based approaches have shown great promise in a range of weather forecasting problems. However, these have mostly focused on gridded data sources, neglecting the wealth of unstructured, off-the-grid data from observational measurements such as those at weather stations. A promising family of models suitable for such tasks are neural processes (NPs), notably the family of transformer neural processes (TNPs). Although TNPs have shown promise on small spatio-temporal datasets, they are unable to scale to the quantities of data used by state-of-the-art weather and climate models. This limitation stems from their lack of efficient attention mechanisms. We address this shortcoming through the introduction of gridded pseudo-token TNPs which employ specialised encoders and decoders to handle unstructured observations and utilise a processor containing gridded pseudo-tokens that leverage efficient attention mechanisms. Our method consistently outperforms a range of strong baselines on various synthetic and real-world regression tasks involving large-scale data, while maintaining competitive computational efficiency. The real-life experiments are performed on weather data, demonstrating the potential of our approach to bring performance and computational benefits when applied at scale in a weather modelling pipeline.
Bounds and Sensitivity Analysis of the Causal Effect Under Outcome-Independent MNAR Confounding
Authors: Jose M. Peña
Date: 2024-10-09 00:00:00
Tasks: counterfactual, Sensitivity

We report assumption-free bounds for any contrast between the probabilities of the potential outcome under exposure and non-exposure when the confounders are missing not at random. We assume that the missingness mechanism is outcome-independent. We also report a sensitivity analysis method to complement our bounds.
Scaling Laws for Mixed quantization in Large Language Models
Authors: Zeyu Cao, Cheng Zhang, Pedro Gimenes, Jianqiao Lu, Jianyi Cheng, Yiren Zhao
Date: 2024-10-09 00:00:00
Tasks: Quantization

Post-training quantization of Large Language Models (LLMs) has proven effective in reducing the computational requirements for running inference on these models. In this study, we focus on a straightforward question: When aiming for a specific accuracy or perplexity target for low-precision quantization, how many high-precision numbers or calculations are required to preserve as we scale LLMs to larger sizes? We first introduce a critical metric named the quantization ratio, which compares the number of parameters quantized to low-precision arithmetic against the total parameter count. Through extensive and carefully controlled experiments across different model families, arithmetic types, and quantization granularities (e.g. layer-wise, matmul-wise), we identify two central phenomenons. 1) The larger the models, the better they can preserve performance with an increased quantization ratio, as measured by perplexity in pre-training tasks or accuracy in downstream tasks. 2) The finer the granularity of mixed-precision quantization (e.g., matmul-wise), the more the model can increase the quantization ratio. We believe these observed phenomena offer valuable insights for future AI hardware design and the development of advanced Efficient AI algorithms.
Exact full-RSB SAT/UNSAT transition in infinitely wide two-layer neural networks
Authors: Brandon L. Annesi, Enrico M. Malatesta, Francesco Zamponi
Date: 2024-10-09 00:00:00

We analyze the problem of storing random pattern-label associations using two classes of continuous non-convex weights models, namely the perceptron with negative margin and an infinite-width two-layer neural network with non-overlapping receptive fields and generic activation function. Using a full-RSB ansatz we compute the exact value of the SAT/UNSAT transition. Furthermore, in the case of the negative perceptron we show that the overlap distribution of typical states displays an overlap gap (a disconnected support) in certain regions of the phase diagram defined by the value of the margin and the density of patterns to be stored. This implies that some recent theorems that ensure convergence of Approximate Message Passing (AMP) based algorithms to capacity are not applicable. Finally, we show that Gradient Descent is not able to reach the maximal capacity, irrespectively of the presence of an overlap gap for typical states. This finding, similarly to what occurs in binary weight models, suggests that gradient-based algorithms are biased towards highly atypical states, whose inaccessibility determines the algorithmic threshold.
GLA-DA: Global-Local Alignment Domain Adaptation for Multivariate Time Series
Authors: Gang Tu, Dan Li, Bingxin Lin, Zibin Zheng, See-Kiong Ng
Date: 2024-10-09 00:00:00
Tasks: Domain Adaptation, Semi-supervised Domain Adaptation, Time Series

Unlike images and natural language tokens, time series data is highly semantically sparse, resulting in labor-intensive label annotations. Unsupervised and Semi-supervised Domain Adaptation (UDA and SSDA) have demonstrated efficiency in addressing this issue by utilizing pre-labeled source data to train on unlabeled or partially labeled target data. However, in domain adaptation methods designed for downstream classification tasks, directly adapting labeled source samples with unlabelled target samples often results in similar distributions across various classes, thereby compromising the performance of the target classification task. To tackle this challenge, we proposed a Global-Local Alignment Domain Adaptation (GLA-DA) method for multivariate time series data. Data from two domains were initially encoded to align in an intermediate feature space adversarially, achieving Global Feature Alignment (GFA). Subsequently, GLA-DA leveraged the consistency between similarity-based and deep learning-based models to assign pseudo labels to unlabeled target data. This process aims to preserve differences among data with distinct labels by aligning the samples with the same class labels together, achieving Local Class Alignment (LCA). We implemented GLA-DA in both UDA and SSDA scenarios, showcasing its superiority over state-of-the-art methods through extensive experiments on various public datasets. Ablation experiments underscored the significance of key components within GLA-DA.
WardropNet: Traffic Flow Predictions via Equilibrium-Augmented Learning
Authors: Kai Jungel, Dario Paccagnan, Axel Parmentier, Maximilian Schiffer
Date: 2024-10-09 00:00:00
Tasks: Combinatorial Optimization

When optimizing transportation systems, anticipating traffic flows is a central element. Yet, computing such traffic equilibria remains computationally expensive. Against this background, we introduce a novel combinatorial optimization augmented neural network architecture that allows for fast and accurate traffic flow predictions. We propose WardropNet, a neural network that combines classical layers with a subsequent equilibrium layer: the first ones inform the latter by predicting the parameterization of the equilibrium problem's latency functions. Using supervised learning we minimize the difference between the actual traffic flow and the predicted output. We show how to leverage a Bregman divergence fitting the geometry of the equilibria, which allows for end-to-end learning. WardropNet outperforms pure learning-based approaches in predicting traffic equilibria for realistic and stylized traffic scenarios. On realistic scenarios, WardropNet improves on average for time-invariant predictions by up to 72% and for time-variant predictions by up to 23% over pure learning-based approaches.