pwc-archive/papers-with-abstracts huggingface dataset:
Provably Safeguarding a Classifier from OOD and Adversarial Samples: an Extreme Value Theory Approach
Authors: Nicolas Atienza, Christophe Labreuche, Johanne Cohen, Michele Sebag
Date: 2025-01-17 00:00:00

This paper introduces a novel method, Sample-efficient Probabilistic Detection using Extreme Value Theory (SPADE), which transforms a classifier into an abstaining classifier, offering provable protection against out-of-distribution and adversarial samples. The approach is based on a Generalized Extreme Value (GEV) model of the training distribution in the classifier's latent space, enabling the formal characterization of OOD samples. Interestingly, under mild assumptions, the GEV model also allows for formally characterizing adversarial samples. The abstaining classifier, which rejects samples based on their assessment by the GEV model, provably avoids OOD and adversarial samples. The empirical validation of the approach, conducted on various neural architectures (ResNet, VGG, and Vision Transformer) and medium and large-sized datasets (CIFAR-10, CIFAR-100, and ImageNet), demonstrates its frugality, stability, and efficiency compared to the state of the art.
Contributions to the Decision Theoretic Foundations of Machine Learning and Robust Statistics under Weakly Structured Information
Authors: Christoph Jansen
Date: 2025-01-17 00:00:00
Tasks: Articles

This habilitation thesis is cumulative and, therefore, is collecting and connecting research that I (together with several co-authors) have conducted over the last few years. Thus, the absolute core of the work is formed by the ten publications listed on page 5 under the name Contributions 1 to 10. The references to the complete versions of these articles are also found in this list, making them as easily accessible as possible for readers wishing to dive deep into the different research projects. The chapters following this thesis, namely Parts A to C and the concluding remarks, serve to place the articles in a larger scientific context, to (briefly) explain their respective content on a less formal level, and to highlight some interesting perspectives for future research in their respective contexts. Naturally, therefore, the following presentation has neither the level of detail nor the formal rigor that can (hopefully) be found in the papers. The purpose of the following text is to provide the reader an easy and high-level access to this interesting and important research field as a whole, thereby, advertising it to a broader audience.
Surrogate-based multiscale analysis of experiments on thermoplastic composites under off-axis loading
Authors: M. A. Maia, I. B. C. M. Rocha, D. Kovačević, F. P. van der Meer
Date: 2025-01-17 00:00:00
Tasks: Transfer Learning

In this paper, we present a surrogate-based multiscale approach to model constant strain-rate and creep experiments on unidirectional thermoplastic composites under off-axis loading. In previous contributions, these experiments were modeled through a single-scale micromechanical simulation under the assumption of macroscopic homogeneity. Although efficient and accurate in many scenarios, simulations with low-off axis angles showed significant discrepancies with the experiments. It was hypothesized that the mismatch was caused by macroscopic inhomogeneity, which would require a multiscale approach to capture it. However, full-field multiscale simulations remain computationally prohibitive. To address this issue, we replace the micromodel with a Physically Recurrent Neural Network (PRNN), a surrogate model that combines data-driven components with embedded constitutive models to capture history-dependent behavior naturally. The explainability of the latent space of this network is also explored in a transfer learning strategy that requires no re-training. With the surrogate-based simulations, we confirm the hypothesis raised on the inhomogeneity of the macroscopic strain field and gain insights into the influence of adjustment of the experimental setup with oblique end-tabs. Results from the surrogate-based multiscale approach show better agreement with experiments than the single-scale micromechanical approach over a wide range of settings, although with limited accuracy on the creep experiments, where macroscopic test effects were implicitly taken into account in the material properties calibration.
Improved learning rates in multi-unit uniform price auctions
Authors: Marius Potfer, Dorian Baudry, Hugo Richard, Vianney Perchet, Cheng Wan
Date: 2025-01-17 00:00:00

Motivated by the strategic participation of electricity producers in electricity day-ahead market, we study the problem of online learning in repeated multi-unit uniform price auctions focusing on the adversarial opposing bid setting. The main contribution of this paper is the introduction of a new modeling of the bid space. Indeed, we prove that a learning algorithm leveraging the structure of this problem achieves a regret of $\tilde{O}(K^{4/3}T^{2/3})$ under bandit feedback, improving over the bound of $\tilde{O}(K^{7/4}T^{3/4})$ previously obtained in the literature. This improved regret rate is tight up to logarithmic terms. Inspired by electricity reserve markets, we further introduce a different feedback model under which all winning bids are revealed. This feedback interpolates between the full-information and bandit scenarios depending on the auctions' results. We prove that, under this feedback, the algorithm that we propose achieves regret $\tilde{O}(K^{5/2}\sqrt{T})$.
Mean and Variance Estimation Complexity in Arbitrary Distributions via Wasserstein Minimization
Authors: Valentio Iverson, Stephen Vavasis
Date: 2025-01-17 00:00:00
Tasks: Bayesian Inference, parameter estimation

Parameter estimation is a fundamental challenge in machine learning, crucial for tasks such as neural network weight fitting and Bayesian inference. This paper focuses on the complexity of estimating translation $\boldsymbol{\mu} \in \mathbb{R}^l$ and shrinkage $\sigma \in \mathbb{R}_{++}$ parameters for a distribution of the form $\frac{1}{\sigma^l} f_0 \left( \frac{\boldsymbol{x} - \boldsymbol{\mu}}{\sigma} \right)$, where $f_0$ is a known density in $\mathbb{R}^l$ given $n$ samples. We highlight that while the problem is NP-hard for Maximum Likelihood Estimation (MLE), it is possible to obtain $\varepsilon$-approximations for arbitrary $\varepsilon > 0$ within $\text{poly} \left( \frac{1}{\varepsilon} \right)$ time using the Wasserstein distance.
Convex Physics Informed Neural Networks for the Monge-Ampère Optimal Transport Problem
Authors: Alexandre Caboussat, Anna Peruso
Date: 2025-01-17 00:00:00
Tasks: Sensitivity

Optimal transportation of raw material from suppliers to customers is an issue arising in logistics that is addressed here with a continuous model relying on optimal transport theory. A physics informed neuralnetwork method is advocated here for the solution of the corresponding generalized Monge-Amp`ere equation. Convex neural networks are advocated to enforce the convexity of the solution to the Monge-Amp\`ere equation and obtain a suitable approximation of the optimal transport map. A particular focus is set on the enforcement of transport boundary conditions in the loss function. Numerical experiments illustrate the solution to the optimal transport problem in several configurations, and sensitivity analyses are performed.
How Redundant Is the Transformer Stack in Speech Representation Models?
Authors: Teresa Dorszewski, Albert Kjøller Jacobsen, Lenka Tětková, Lars Kai Hansen
Date: 2024-09-10 00:00:00
Tasks: Knowledge Distillation, Speaker Identification, speech-recognition, Speech Recognition

Self-supervised speech representation models, particularly those leveraging transformer architectures, have demonstrated remarkable performance across various tasks such as speech recognition, speaker identification, and emotion detection. Recent studies on transformer models revealed a high redundancy between layers and the potential for significant pruning, which we will investigate here for transformer-based speech representation models. We perform a detailed analysis of layer similarity in speech representation models using three similarity metrics: cosine similarity, centered kernel alignment, and mutual nearest-neighbor alignment. Our findings reveal a block-like structure of high similarity, suggesting two main processing steps and significant redundancy of layers. We demonstrate the effectiveness of pruning transformer-based speech representation models without the need for post-training, achieving up to 40% reduction in transformer layers while maintaining over 95% of the model's predictive capacity. Furthermore, we employ a knowledge distillation method to substitute the entire transformer stack with mimicking layers, reducing the network size 95-98% and the inference time by up to 94%. This substantial decrease in computational load occurs without considerable performance loss, suggesting that the transformer stack is almost completely redundant for downstream applications of speech representation models.
Visual Exploration of Stopword Probabilities in Topic Models
Authors: Shuangjiang Xue, Pierre Le Bras, David A. Robb, Mike J. Chantler, Stefano Padilla
Date: 2025-01-17 00:00:00
Tasks: Topic Models

Stopword removal is a critical stage in many Machine Learning methods but often receives little consideration, it interferes with the model visualizations and disrupts user confidence. Inappropriately chosen or hastily omitted stopwords not only lead to suboptimal performance but also significantly affect the quality of models, thus reducing the willingness of practitioners and stakeholders to rely on the output visualizations. This paper proposes a novel extraction method that provides a corpus-specific probabilistic estimation of stopword likelihood and an interactive visualization system to support their analysis. We evaluated our approach and interface using real-world data, a commonly used Machine Learning method (Topic Modelling), and a comprehensive qualitative experiment probing user confidence. The results of our work show that our system increases user confidence in the credibility of topic models by (1) returning reasonable probabilities, (2) generating an appropriate and representative extension of common stopword lists, and (3) providing an adjustable threshold for estimating and analyzing stopwords visually. Finally, we discuss insights, recommendations, and best practices to support practitioners while improving the output of Machine Learning methods and topic model visualizations with robust stopword analysis and removal.
Gene Regulatory Network Inference in the Presence of Selection Bias and Latent Confounders
Authors: Gongxu Luo, Haoyue Dai, Boyang Sun, Loka Li, Biwei Huang, Petar Stojanov, Kun Zhang
Date: 2025-01-17 00:00:00
Tasks: Selection bias

Gene Regulatory Network Inference (GRNI) aims to identify causal relationships among genes using gene expression data, providing insights into regulatory mechanisms. A significant yet often overlooked challenge is selection bias, a process where only cells meeting specific criteria, such as gene expression thresholds, survive or are observed, distorting the true joint distribution of genes and thus biasing GRNI results. Furthermore, gene expression is influenced by latent confounders, such as non-coding RNAs, which add complexity to GRNI. To address these challenges, we propose GISL (Gene Regulatory Network Inference in the presence of Selection bias and Latent confounders), a novel algorithm to infer true regulatory relationships in the presence of selection and confounding issues. Leveraging data obtained via multiple gene perturbation experiments, we show that the true regulatory relationships, as well as selection processes and latent confounders can be partially identified without strong parametric models and under mild graphical assumptions. Experimental results on both synthetic and real-world single-cell gene expression datasets demonstrate the superiority of GISL over existing methods.
PaSa: An LLM Agent for Comprehensive Academic Paper Search
Authors: Yichen He, Guanhua Huang, Peiyuan Feng, Yuan Lin, Yuchen Zhang, Hang Li, Weinan E
Date: 2025-01-17 00:00:00

We introduce PaSa, an advanced Paper Search agent powered by large language models. PaSa can autonomously make a series of decisions, including invoking search tools, reading papers, and selecting relevant references, to ultimately obtain comprehensive and accurate results for complex scholarly queries. We optimize PaSa using reinforcement learning with a synthetic dataset, AutoScholarQuery, which includes 35k fine-grained academic queries and corresponding papers sourced from top-tier AI conference publications. Additionally, we develop RealScholarQuery, a benchmark collecting real-world academic queries to assess PaSa performance in more realistic scenarios. Despite being trained on synthetic data, PaSa significantly outperforms existing baselines on RealScholarQuery, including Google, Google Scholar, Google with GPT-4 for paraphrased queries, chatGPT (search-enabled GPT-4o), GPT-o1, and PaSa-GPT-4o (PaSa implemented by prompting GPT-4o). Notably, PaSa-7B surpasses the best Google-based baseline, Google with GPT-4o, by 37.78% in recall@20 and 39.90% in recall@50. It also exceeds PaSa-GPT-4o by 30.36% in recall and 4.25% in precision. Model, datasets, and code are available at https://github.com/bytedance/pasa.
A recursive Bayesian neural network for constitutive modeling of sands under monotonic loading
Authors: Toiba Noor, Soban Nasir Lone, G. V. Ramana, Rajdip Nayek
Date: 2025-01-17 00:00:00
Tasks: Bayesian Inference, Sand, Uncertainty Quantification, Variational Inference

In geotechnical engineering, constitutive models play a crucial role in describing soil behavior under varying loading conditions. Data-driven deep learning (DL) models offer a promising alternative for developing predictive constitutive models. When prediction is the primary focus, quantifying the predictive uncertainty of a trained DL model and communicating this uncertainty to end users is crucial for informed decision-making. This study proposes a recursive Bayesian neural network (rBNN) framework, which builds upon recursive feedforward neural networks (rFFNNs) by introducing generalized Bayesian inference for uncertainty quantification. A significant contribution of this work is the incorporation of a sliding window approach in rFFNNs, allowing the models to effectively capture temporal dependencies across load steps. The rBNN extends this framework by treating model parameters as random variables, with their posterior distributions inferred using generalized variational inference. The proposed framework is validated on two datasets: (i) a numerically simulated consolidated drained (CD) triaxial dataset employing a hardening soil model and (ii) an experimental dataset comprising 28 CD triaxial tests on Baskarp sand. Comparative analyses with LSTM, Bi-LSTM, and GRU models demonstrate that the deterministic rFFNN achieves superior predictive accuracy, attributed to its transparent structure and sliding window design. While the rBNN marginally trails in accuracy for the experimental case, it provides robust confidence intervals, addressing data sparsity and measurement noise in experimental conditions. The study underscores the trade-offs between deterministic and probabilistic approaches and the potential of rBNNs for uncertainty-aware constitutive modeling.
Two-level Solar Irradiance Clustering with Season Identification: A Comparative Analysis
Authors: Roshni Agrawal, Sivakumar Subramanian, Venkataramana Runkana
Date: 2025-01-17 00:00:00
Tasks: Clustering, Dynamic Time Warping

Solar irradiance clustering can enhance solar power capacity planning and help improve forecasting models by identifying similar irradiance patterns influenced by seasonal and weather changes. In this study, we adopt an efficient two-level clustering approach to automatically identify seasons using the clear sky irradiance in first level and subsequently to identify daily cloud level as clear, cloudy and partly cloudy within each season in second level. In the second level of clustering, three methods are compared, namely, Daily Irradiance Index (DII or $\beta$), Euclidean Distance (ED), and Dynamic Time Warping (DTW) distance. The DII is computed as the ratio of time integral of measured irradiance to time integral of the clear sky irradiance. The identified clusters were compared quantitatively using established clustering metrics and qualitatively by comparing the mean irradiance profiles. The results clearly establish the superiority of the $\beta$-based clustering approach as the leader, setting a new benchmark for solar irradiance clustering studies. Moreover, $\beta$-based clustering remains effective even for annual data unlike the time-series methods which suffer significant performance degradation. Interestingly, contrary to expectations, ED-based clustering outperforms the more compute-intensive DTW distance-based clustering. The method has been rigorously validated using data from two distinct US locations, demonstrating robust scalability for larger datasets and potential applicability for other locations.
Double descent in quantum machine learning
Authors: Marie Kempkes, Aroosa Ijaz, Elies Gil-Fuster, Carlos Bravo-Prieto, Jakob Spiegelberg, Evert van Nieuwenburg, Vedran Dunjko
Date: 2025-01-17 00:00:00
Tasks: Learning Theory, Quantum Machine Learning

The double descent phenomenon challenges traditional statistical learning theory by revealing scenarios where larger models do not necessarily lead to reduced performance on unseen data. While this counterintuitive behavior has been observed in a variety of classical machine learning models, particularly modern neural network architectures, it remains elusive within the context of quantum machine learning. In this work, we analytically demonstrate that quantum learning models can exhibit double descent behavior by drawing on insights from linear regression and random matrix theory. Additionally, our numerical experiments on quantum kernel methods across different real-world datasets and system sizes further confirm the existence of a test error peak, a characteristic feature of double descent. Our findings provide evidence that quantum models can operate in the modern, overparameterized regime without experiencing overfitting, thereby opening pathways to improved learning performance beyond traditional statistical learning theory.
OMoE: Diversifying Mixture of Low-Rank Adaptation by Orthogonal Finetuning
Authors: Jinyuan Feng, Zhiqiang Pu, Tianyi Hu, Dongmin Li, Xiaolin Ai, Huimu Wang
Date: 2025-01-17 00:00:00
Tasks: Computational Efficiency, Diversity, Mixture-of-Experts, parameter-efficient fine-tuning

Building mixture-of-experts (MoE) architecture for Low-rank adaptation (LoRA) is emerging as a potential direction in parameter-efficient fine-tuning (PEFT) for its modular design and remarkable performance. However, simply stacking the number of experts cannot guarantee significant improvement. In this work, we first conduct qualitative analysis to indicate that experts collapse to similar representations in vanilla MoE, limiting the capacity of modular design and computational efficiency. Ulteriorly, Our analysis reveals that the performance of previous MoE variants maybe limited by a lack of diversity among experts. Motivated by these findings, we propose Orthogonal Mixture-of-Experts (OMoE), a resource-efficient MoE variant that trains experts in an orthogonal manner to promote diversity. In OMoE, a Gram-Schmidt process is leveraged to enforce that the experts' representations lie within the Stiefel manifold. By applying orthogonal constraints directly to the architecture, OMoE keeps the learning objective unchanged, without compromising optimality. Our method is simple and alleviates memory bottlenecks, as it incurs minimal experts compared to vanilla MoE models. Experiments on diverse commonsense reasoning benchmarks demonstrate that OMoE can consistently achieve stable and efficient performance improvement when compared with the state-of-the-art methods while significantly reducing the number of required experts.
Tracking student skills real-time through a continuous-variable dynamic Bayesian network
Authors: Hildo Bijl
Date: 2025-01-17 00:00:00
Tasks: Knowledge Tracing

The field of Knowledge Tracing is focused on predicting the success rate of a student for a given skill. Modern methods like Deep Knowledge Tracing provide accurate estimates given enough data, but being based on neural networks they struggle to explain how these estimates are formed. More classical methods like Dynamic Bayesian Networks can do this, but they cannot give data on the accuracy of their estimates and often struggle to incorporate new observations in real-time due to their high computational load. This paper presents a novel method, Performance Distribution Tracing (PDT), in which the distribution of the success rate is traced live. It uses a Dynamic Bayesian Network with continuous random variables as nodes. By tracing the success rate distribution, there is always data available on the accuracy of any success rate estimation. In addition, it makes it possible to combine data from similar/related skills to come up with a more informed estimate of success rates. This makes it possible to predict exercise success rates, providing both explainability and an accuracy indication, even when an exercise requires a combination of different skills to solve. And through the use of the beta distribution functions as conjugate priors, all distributions are available in analytical form, allowing efficient online updates upon new observations. Experiments have shown that the resulting estimates generally feel sufficiently accurate to end-users such that they accept recommendations based on them.
PandaSkill -- Player Performance and Skill Rating in Esports: Application to League of Legends
Authors: Maxime De Bois, Flora Parmentier, Raphaël Puget, Matthew Tanti, Jordan Peltier
Date: 2025-01-17 00:00:00

To take the esports scene to the next level, we introduce PandaSkill, a framework for assessing player performance and skill rating. Traditional rating systems like Elo and TrueSkill often overlook individual contributions and face challenges in professional esports due to limited game data and fragmented competitive scenes. PandaSkill leverages machine learning to estimate in-game player performance from individual player statistics. Each in-game role is modeled independently, ensuring a fair comparison between them. Then, using these performance scores, PandaSkill updates the player skill ratings using the Bayesian framework OpenSkill in a free-for-all setting. In this setting, skill ratings are updated solely based on performance scores rather than game outcomes, hightlighting individual contributions. To address the challenge of isolated rating pools that hinder cross-regional comparisons, PandaSkill introduces a dual-rating system that combines players' regional ratings with a meta-rating representing each region's overall skill level. Applying PandaSkill to five years of professional League of Legends matches worldwide, we show that our method produces skill ratings that better predict game outcomes and align more closely with expert opinions compared to existing methods.