pwc-archive/papers-with-abstracts huggingface dataset:
Visualization of Organ Movements Using Automatic Region Segmentation of Swallowing CT
Authors: Yukihiro Michiwaki, Takahiro Kikuchi, Takashi Ijiri, Yoko Inamoto, Hiroshi Moriya, Takumi Ogawa, Ryota Nakatani, Yuto Masaki, Yoshito Otake, Yoshinobu Sato
Date: 2025-01-29 00:00:00
Tasks: Segmentation

This study presents the first report on the development of an artificial intelligence (AI) for automatic region segmentation of four-dimensional computer tomography (4D-CT) images during swallowing. The material consists of 4D-CT images taken during swallowing. Additionally, data for verifying the practicality of the AI were obtained from 4D-CT images during mastication and swallowing. The ground truth data for the region segmentation for the AI were created from five 4D-CT datasets of swallowing. A 3D convolutional model of nnU-Net was used for the AI. The learning and evaluation method for the AI was leave-one-out cross-validation. The number of epochs for training the nnU-Net was 100. The Dice coefficient was used as a metric to assess the AI's region segmentation accuracy. Regions with a median Dice coefficient of 0.7 or higher included the bolus, bones, tongue, and soft palate. Regions with a Dice coefficient below 0.7 included the thyroid cartilage and epiglottis. Factors that reduced the Dice coefficient included metal artifacts caused by dental crowns in the bolus and the speed of movement for the thyroid cartilage and epiglottis. In practical verification of the AI, no significant misrecognition was observed for facial bones, jaw bones, or the tongue. However, regions such as the hyoid bone, thyroid cartilage, and epiglottis were not fully delineated during fast movement. It is expected that future research will improve the accuracy of the AI's region segmentation, though the risk of misrecognition will always exist. Therefore, the development of tools for efficiently correcting the AI's segmentation results is necessary. AI-based visualization is expected to contribute not only to the deepening of motion analysis of organs during swallowing but also to improving the accuracy of swallowing CT by clearly showing the current state of its precision.
VidSole: A Multimodal Dataset for Joint Kinetics Quantification and Disease Detection with Deep Learning
Authors: Archit Kambhamettu, Samantha Snyder, Maliheh Fakhar, Samuel Audia, Ross Miller, Jae Kun Shim, Aniket Bera
Date: 2025-01-28 00:00:00

Understanding internal joint loading is critical for diagnosing gait-related diseases such as knee osteoarthritis; however, current methods of measuring joint risk factors are time-consuming, expensive, and restricted to lab settings. In this paper, we enable the large-scale, cost-effective biomechanical analysis of joint loading via three key contributions: the development and deployment of novel instrumented insoles, the creation of a large multimodal biomechanics dataset (VidSole), and a baseline deep learning pipeline to predict internal joint loading factors. Our novel instrumented insole measures the tri-axial forces and moments across five high-pressure points under the foot. VidSole consists of the forces and moments measured by these insoles along with corresponding RGB video from two viewpoints, 3D body motion capture, and force plate data for over 2,600 trials of 52 diverse participants performing four fundamental activities of daily living (sit-to-stand, stand-to-sit, walking, and running). We feed the insole data and kinematic parameters extractable from video (i.e., pose, knee angle) into a deep learning pipeline consisting of an ensemble Gated Recurrent Unit (GRU) activity classifier followed by activity-specific Long Short Term Memory (LSTM) regression networks to estimate knee adduction moment (KAM), a biomechanical risk factor for knee osteoarthritis. The successful classification of activities at an accuracy of 99.02 percent and KAM estimation with mean absolute error (MAE) less than 0.5 percent*body weight*height, the current threshold for accurately detecting knee osteoarthritis with KAM, illustrates the usefulness of our dataset for future research and clinical settings.
Docling: An Efficient Open-Source Toolkit for AI-driven Document Conversion
Authors: Nikolaos Livathinos, Christoph Auer, Maksym Lysak, Ahmed Nassar, Michele Dolfi, Panos Vagenas, Cesar Berrospi Ramis, Matteo Omenetti, Kasper Dinkla, Yusik Kim, Shubham Gupta, Rafael Teixeira de Lima, Valery Weber, Lucas Morin, Ingmar Meijer, Viktor Kuropiatnyk, Peter W. J. Staar
Date: 2025-01-27 00:00:00

We introduce Docling, an easy-to-use, self-contained, MIT-licensed, open-source toolkit for document conversion, that can parse several types of popular document formats into a unified, richly structured representation. It is powered by state-of-the-art specialized AI models for layout analysis (DocLayNet) and table structure recognition (TableFormer), and runs efficiently on commodity hardware in a small resource budget. Docling is released as a Python package and can be used as a Python API or as a CLI tool. Docling's modular architecture and efficient document representation make it easy to implement extensions, new features, models, and customizations. Docling has been already integrated in other popular open-source frameworks (e.g., LangChain, LlamaIndex, spaCy), making it a natural fit for the processing of documents and the development of high-end applications. The open-source community has fully engaged in using, promoting, and developing for Docling, which gathered 10k stars on GitHub in less than a month and was reported as the No. 1 trending repository in GitHub worldwide in November 2024.
Accuracy and Robustness of Weight-Balancing Methods for Training PINNs
Authors: Matthieu Barreau, Haoming Shen
Date: 2025-01-30 00:00:00

Physics-Informed Neural Networks (PINNs) have emerged as powerful tools for integrating physics-based models with data by minimizing both data and physics losses. However, this multi-objective optimization problem is notoriously challenging, with some benchmark problems leading to unfeasible solutions. To address these issues, various strategies have been proposed, including adaptive weight adjustments in the loss function. In this work, we introduce clear definitions of accuracy and robustness in the context of PINNs and propose a novel training algorithm based on the Primal-Dual (PD) optimization framework. Our approach enhances the robustness of PINNs while maintaining comparable performance to existing weight-balancing methods. Numerical experiments demonstrate that the PD method consistently achieves reliable solutions across all investigated cases and can be easily implemented, facilitating its practical adoption. The code is available at https://github.com/haoming-SHEN/Accuracy-and-Robustness-of-Weight-Balancing-Methods-for-Training-PINNs.git.
Bias-variance decompositions: the exclusive privilege of Bregman divergences
Authors: Tom Heskes
Date: 2025-01-30 00:00:00

Bias-variance decompositions are widely used to understand the generalization performance of machine learning models. While the squared error loss permits a straightforward decomposition, other loss functions - such as zero-one loss or $L_1$ loss - either fail to sum bias and variance to the expected loss or rely on definitions that lack the essential properties of meaningful bias and variance. Recent research has shown that clean decompositions can be achieved for the broader class of Bregman divergences, with the cross-entropy loss as a special case. However, the necessary and sufficient conditions for these decompositions remain an open question. In this paper, we address this question by studying continuous, nonnegative loss functions that satisfy the identity of indiscernibles under mild regularity conditions. We prove that so-called $g$-Bregman divergences are the only such loss functions that have a clean bias-variance decomposition. A $g$-Bregman divergence can be transformed into a standard Bregman divergence through an invertible change of variables. This makes the squared Mahalanobis distance, up to such a variable transformation, the only symmetric loss function with a clean bias-variance decomposition. We also examine the impact of relaxing the restrictions on the loss functions and how this affects our results.
Node Classification and Search on the Rubik's Cube Graph with GNNs
Authors: Alessandro Barro
Date: 2025-01-30 00:00:00
Tasks: Node Classification, Rubik's Cube

This study focuses on the application of deep geometric models to solve the 3x3x3 Rubik's Cube. We begin by discussing the cube's graph representation and defining distance as the model's optimization objective. The distance approximation task is reformulated as a node classification problem, effectively addressed using Graph Neural Networks (GNNs). After training the model on a random subgraph, the predicted classes are used to construct a heuristic for $A^*$ search. We conclude with experiments comparing our heuristic to that of the DeepCubeA model.
Token-Hungry, Yet Precise: DeepSeek R1 Highlights the Need for Multi-Step Reasoning Over Speed in MATH
Authors: Evgenii Evstafev
Date: 2025-01-30 00:00:00
Tasks: Language Modeling, Language Modelling, Math, Mathematical Problem-Solving

This study investigates the performance of the DeepSeek R1 language model on 30 challenging mathematical problems derived from the MATH dataset, problems that previously proved unsolvable by other models under time constraints. Unlike prior work, this research removes time limitations to explore whether DeepSeek R1's architecture, known for its reliance on token-based reasoning, can achieve accurate solutions through a multi-step process. The study compares DeepSeek R1 with four other models (gemini-1.5-flash-8b, gpt-4o-mini-2024-07-18, llama3.1:8b, and mistral-8b-latest) across 11 temperature settings. Results demonstrate that DeepSeek R1 achieves superior accuracy on these complex problems but generates significantly more tokens than other models, confirming its token-intensive approach. The findings highlight a trade-off between accuracy and efficiency in mathematical problem-solving with large language models: while DeepSeek R1 excels in accuracy, its reliance on extensive token generation may not be optimal for applications requiring rapid responses. The study underscores the importance of considering task-specific requirements when selecting an LLM and emphasizes the role of temperature settings in optimizing performance.
No Equations Needed: Learning System Dynamics Without Relying on Closed-Form ODEs
Authors: Krzysztof Kacprzyk, Mihaela van der Schaar
Date: 2025-01-30 00:00:00
Tasks: Form

Data-driven modeling of dynamical systems is a crucial area of machine learning. In many scenarios, a thorough understanding of the model's behavior becomes essential for practical applications. For instance, understanding the behavior of a pharmacokinetic model, constructed as part of drug development, may allow us to both verify its biological plausibility (e.g., the drug concentration curve is non-negative and decays to zero) and to design dosing guidelines. Discovery of closed-form ordinary differential equations (ODEs) can be employed to obtain such insights by finding a compact mathematical equation and then analyzing it (a two-step approach). However, its widespread use is currently hindered because the analysis process may be time-consuming, requiring substantial mathematical expertise, or even impossible if the equation is too complex. Moreover, if the found equation's behavior does not satisfy the requirements, editing it or influencing the discovery algorithms to rectify it is challenging as the link between the symbolic form of an ODE and its behavior can be elusive. This paper proposes a conceptual shift to modeling low-dimensional dynamical systems by departing from the traditional two-step modeling process. Instead of first discovering a closed-form equation and then analyzing it, our approach, direct semantic modeling, predicts the semantic representation of the dynamical system (i.e., description of its behavior) directly from data, bypassing the need for complex post-hoc analysis. This direct approach also allows the incorporation of intuitive inductive biases into the optimization algorithm and editing the model's behavior directly, ensuring that the model meets the desired specifications. Our approach not only simplifies the modeling pipeline but also enhances the transparency and flexibility of the resulting models compared to traditional closed-form ODEs.
Bandits with Anytime Knapsacks
Authors: Eray Can Elumar, Cem Tekin, Osman Yagan
Date: 2025-01-30 00:00:00
Tasks: Decision Making

We consider bandits with anytime knapsacks (BwAK), a novel version of the BwK problem where there is an \textit{anytime} cost constraint instead of a total cost budget. This problem setting introduces additional complexities as it mandates adherence to the constraint throughout the decision-making process. We propose SUAK, an algorithm that utilizes upper confidence bounds to identify the optimal mixture of arms while maintaining a balance between exploration and exploitation. SUAK is an adaptive algorithm that strategically utilizes the available budget in each round in the decision-making process and skips a round when it is possible to violate the anytime cost constraint. In particular, SUAK slightly under-utilizes the available cost budget to reduce the need for skipping rounds. We show that SUAK attains the same problem-dependent regret upper bound of $ O(K \log T)$ established in prior work under the simpler BwK framework. Finally, we provide simulations to verify the utility of SUAK in practical settings.
Loss Functions and Operators Generated by f-Divergences
Authors: Vincent Roulet, Tianlin Liu, Nino Vieillard, Michael E. Sander, Mathieu Blondel
Date: 2025-01-30 00:00:00
Tasks: Language Modeling, Language Modelling

The logistic loss (a.k.a. cross-entropy loss) is one of the most popular loss functions used for multiclass classification. It is also the loss function of choice for next-token prediction in language modeling. It is associated with the Kullback--Leibler (KL) divergence and the softargmax operator. In this work, we propose to construct new convex loss functions based on $f$-divergences. Our loss functions generalize the logistic loss in two directions: i) by replacing the KL divergence with $f$-divergences and ii) by allowing non-uniform reference measures. We instantiate our framework for numerous $f$-divergences, recovering existing losses and creating new ones. By analogy with the logistic loss, the loss function generated by an $f$-divergence is associated with an operator, that we dub $f$-softargmax. We derive a novel parallelizable bisection algorithm for computing the $f$-softargmax associated with any $f$-divergence. On the empirical side, one of the goals of this paper is to determine the effectiveness of loss functions beyond the classical cross-entropy in a language model setting, including on pre-training, post-training (SFT) and distillation. We show that the loss function generated by the $\alpha$-divergence (which is equivalent to Tsallis $\alpha$-negentropy in the case of unit reference measures) with $\alpha=1.5$ performs well across several tasks.
Differentially Private Steering for Large Language Model Alignment
Authors: Anmol Goel, Yaxi Hu, Iryna Gurevych, Amartya Sanyal
Date: 2025-01-30 00:00:00
Tasks: Hallucination, Inference Attack, Language Modeling, Language Modelling, Large Language Model, Membership Inference Attack, model, Text Generation

Aligning Large Language Models (LLMs) with human values and away from undesirable behaviors (such as hallucination) has become increasingly important. Recently, steering LLMs towards a desired behavior via activation editing has emerged as an effective method to mitigate harmful generations at inference-time. Activation editing modifies LLM representations by preserving information from positive demonstrations (e.g., truthful) and minimising information from negative demonstrations (e.g., hallucinations). When these demonstrations come from a private dataset, the aligned LLM may leak private information contained in those private samples. In this work, we present the first study of aligning LLM behavior with private datasets. Our work proposes the \textit{\underline{P}rivate \underline{S}teering for LLM \underline{A}lignment (PSA)} algorithm to edit LLM activations with differential privacy (DP) guarantees. We conduct extensive experiments on seven different benchmarks with open-source LLMs of different sizes (0.5B to 7B) and model families (LlaMa, Qwen, Mistral and Gemma). Our results show that PSA achieves DP guarantees for LLM alignment with minimal loss in performance, including alignment metrics, open-ended text generation quality, and general-purpose reasoning. We also develop the first Membership Inference Attack (MIA) for evaluating and auditing the empirical privacy for the problem of LLM steering via activation editing. Our attack is tailored for activation editing and relies solely on the generated texts without their associated probabilities. Our experiments support the theoretical guarantees by showing improved guarantees for our \textit{PSA} algorithm compared to several existing non-private techniques.
Graph Learning for Bidirectional Disease Contact Tracing on Real Human Mobility Data
Authors: Sofia Hurtado, Radu Marculescu
Date: 2025-01-30 00:00:00
Tasks: Graph Learning

For rapidly spreading diseases where many cases show no symptoms, swift and effective contact tracing is essential. While exposure notification applications provide alerts on potential exposures, a fully automated system is needed to track the infectious transmission routes. To this end, our research leverages large-scale contact networks from real human mobility data to identify the path of transmission. More precisely, we introduce a new Infectious Path Centrality network metric that informs a graph learning edge classifier to identify important transmission events, achieving an F1-score of 94%. Additionally, we explore bidirectional contact tracing, which quarantines individuals both retroactively and proactively, and compare its effectiveness against traditional forward tracing, which only isolates individuals after testing positive. Our results indicate that when only 30% of symptomatic individuals are tested, bidirectional tracing can reduce infectious effective reproduction rate by 71%, thus significantly controlling the outbreak.
Optimal generalisation and learning transition in extensive-width shallow neural networks near interpolation
Authors: Jean Barbier, Francesco Camilli, Minh-Toan Nguyen, Mauro Pastore, Rudy Skerk
Date: 2025-01-30 00:00:00

We consider a teacher-student model of supervised learning with a fully-trained two-layer neural network whose width $k$ and input dimension $d$ are large and proportional. We provide an effective theory for approximating the Bayes-optimal generalisation error of the network for any activation function in the regime of sample size $n$ scaling quadratically with the input dimension, i.e., around the interpolation threshold where the number of trainable parameters $kd+k$ and of data $n$ are comparable. Our analysis tackles generic weight distributions. We uncover a discontinuous phase transition separating a "universal" phase from a "specialisation" phase. In the first, the generalisation error is independent of the weight distribution and decays slowly with the sampling rate $n/d^2$, with the student learning only some non-linear combinations of the teacher weights. In the latter, the error is weight distribution-dependent and decays faster due to the alignment of the student towards the teacher network. We thus unveil the existence of a highly predictive solution near interpolation, which is however potentially hard to find by practical algorithms.
Joint Learning of Energy-based Models and their Partition Function
Authors: Michael E. Sander, Vincent Roulet, Tianlin Liu, Mathieu Blondel
Date: 2025-01-30 00:00:00

Energy-based models (EBMs) offer a flexible framework for parameterizing probability distributions using neural networks. However, learning EBMs by exact maximum likelihood estimation (MLE) is generally intractable, due to the need to compute the partition function (normalization constant). In this paper, we propose a novel formulation for approximately learning probabilistic EBMs in combinatorially-large discrete spaces, such as sets or permutations. Our key idea is to jointly learn both an energy model and its log-partition, both parameterized as a neural network. Our approach not only provides a novel tractable objective criterion to learn EBMs by stochastic gradient descent (without relying on MCMC), but also a novel means to estimate the log-partition function on unseen data points. On the theoretical side, we show that our approach recovers the optimal MLE solution when optimizing in the space of continuous functions. Furthermore, we show that our approach naturally extends to the broader family of Fenchel-Young losses, allowing us to obtain the first tractable method for optimizing the sparsemax loss in combinatorially-large spaces. We demonstrate our approach on multilabel classification and label ranking.
Neural Discovery in Mathematics: Do Machines Dream of Colored Planes?
Authors: Konrad Mundinger, Max Zimmer, Aldo Kiem, Christoph Spiegel, Sebastian Pokutta
Date: 2025-01-30 00:00:00

We demonstrate how neural networks can drive mathematical discovery through a case study of the Hadwiger-Nelson problem, a long-standing open problem at the intersection of discrete geometry and extremal combinatorics that is concerned with coloring the plane while avoiding monochromatic unit-distance pairs. Using neural networks as approximators, we reformulate this mixed discrete-continuous geometric coloring problem with hard constraints as an optimization task with a probabilistic, differentiable loss function. This enables gradient-based exploration of admissible configurations that most significantly led to the discovery of two novel six-colorings, providing the first improvement in thirty years to the off-diagonal variant of the original problem. Here, we establish the underlying machine learning approach used to obtain these results and demonstrate its broader applicability through additional numerical insights.
WILDCHAT-50M: A Deep Dive Into the Role of Synthetic Data in Post-Training
Authors: Benjamin Feuer, Chinmay Hegde
Date: 2025-01-30 00:00:00
Tasks: Language Modeling, Language Modelling

Language model (LLM) post-training, from DPO to distillation, can refine behaviors and unlock new skills, but the open science supporting these post-training techniques is still in its infancy. One limiting factor has been the difficulty of conducting large-scale comparative analyses of synthetic data generating models and LLM judges. To close this gap, we introduce WILDCHAT-50M, the largest public chat dataset to date. We extend the existing WildChat dataset to include responses not only from GPT, but from over 50 different open-weight models, ranging in size from 0.5B to 104B parameters. We conduct an extensive comparative analysis and demonstrate the potential of this dataset by creating RE-WILD, our own public SFT mix, which outperforms the recent Tulu-3 SFT mixture from Allen AI with only 40% as many samples. Our dataset, samples and code are available at https://github.com/penfever/wildchat-50m.