pwc-archive/papers-with-abstracts huggingface dataset:
Minimum-Excess-Work Guidance
Authors: Christopher Kolloff, Tobias Höppe, Emmanouil Angelis, Mathias Jacob Schreiner, Stefan Bauer, Andrea Dittadi, Simon Olsson
Date: 2025-05-19 00:00:00

We propose a regularization framework inspired by thermodynamic work for guiding pre-trained probability flow generative models (e.g., continuous normalizing flows or diffusion models) by minimizing excess work, a concept rooted in statistical mechanics and with strong conceptual connections to optimal transport. Our approach enables efficient guidance in sparse-data regimes common to scientific applications, where only limited target samples or partial density constraints are available. We introduce two strategies: Path Guidance for sampling rare transition states by concentrating probability mass on user-defined subsets, and Observable Guidance for aligning generated distributions with experimental observables while preserving entropy. We demonstrate the framework's versatility on a coarse-grained protein model, guiding it to sample transition configurations between folded/unfolded states and correct systematic biases using experimental data. The method bridges thermodynamic principles with modern generative architectures, offering a principled, efficient, and physics-inspired alternative to standard fine-tuning in data-scarce domains. Empirical results highlight improved sample efficiency and bias reduction, underscoring its applicability to molecular simulations and beyond.
Introducing Instruction-Accurate Simulators for Performance Estimation of Autotuning Workloads
Authors: Rebecca Pelke, Nils Bosbach, Lennart M. Reimann, Rainer Leupers
Date: 2025-05-19 00:00:00

Accelerating Machine Learning (ML) workloads requires efficient methods due to their large optimization space. Autotuning has emerged as an effective approach for systematically evaluating variations of implementations. Traditionally, autotuning requires the workloads to be executed on the target hardware (HW). We present an interface that allows executing autotuning workloads on simulators. This approach offers high scalability when the availability of the target HW is limited, as many simulations can be run in parallel on any accessible HW. Additionally, we evaluate the feasibility of using fast instruction-accurate simulators for autotuning. We train various predictors to forecast the performance of ML workload implementations on the target HW based on simulation statistics. Our results demonstrate that the tuned predictors are highly effective. The best workload implementation in terms of actual run time on the target HW is always within the top 3 % of predictions for the tested x86, ARM, and RISC-V-based architectures. In the best case, this approach outperforms native execution on the target HW for embedded architectures when running as few as three samples on three simulators in parallel.
Sense and Sensitivity: Examining the Influence of Semantic Recall on Long Context Code Reasoning
Authors: Adam Štorek, Mukur Gupta, Samira Hajizadeh, Prashast Srivastava, Suman Jana
Date: 2025-05-19 00:00:00
Tasks: Retrieval, Sensitivity

Although modern Large Language Models (LLMs) support extremely large contexts, their effectiveness in utilizing long context for code reasoning remains unclear. This paper investigates LLM reasoning ability over code snippets within large repositories and how it relates to their recall ability. Specifically, we differentiate between lexical code recall (verbatim retrieval) and semantic code recall (remembering what the code does). To measure semantic recall, we propose SemTrace, a code reasoning technique where the impact of specific statements on output is attributable and unpredictable. We also present a method to quantify semantic recall sensitivity in existing benchmarks. Our evaluation of state-of-the-art LLMs reveals a significant drop in code reasoning accuracy as a code snippet approaches the middle of the input context, particularly with techniques requiring high semantic recall like SemTrace. Moreover, we find that lexical recall varies by granularity, with models excelling at function retrieval but struggling with line-by-line recall. Notably, a disconnect exists between lexical and semantic recall, suggesting different underlying mechanisms. Finally, our findings indicate that current code reasoning benchmarks may exhibit low semantic recall sensitivity, potentially underestimating LLM challenges in leveraging in-context information.
Mixed-Precision Conjugate Gradient Solvers with RL-Driven Precision Tuning
Authors: Xinye Chen
Date: 2025-04-19 00:00:00
Tasks: Computational Efficiency, Q-Learning, Reinforcement Learning (RL)

This paper presents a novel reinforcement learning (RL) framework for dynamically optimizing numerical precision in the preconditioned conjugate gradient (CG) method. By modeling precision selection as a Markov Decision Process (MDP), we employ Q-learning to adaptively assign precision levels to key operations, striking an optimal balance between computational efficiency and numerical accuracy, while ensuring stability through double-precision scalar computations and residual computing. In practice, the algorithm is trained on a set of data and subsequently performs inference for precision selection on out-of-sample data, without requiring re-analysis or retraining for new datasets. This enables the method to adapt seamlessly to new problem instances without the computational overhead of recalibration. Our results demonstrate the effectiveness of RL in enhancing solver's performance, marking the first application of RL to mixed-precision numerical methods. The findings highlight the approach's practical advantages, robustness, and scalability, providing valuable insights into its integration with iterative solvers and paving the way for AI-driven advancements in scientific computing.
Occult: Optimizing Collaborative Communication across Experts for Accelerated Parallel MoE Training and Inference
Authors: Shuqing Luo, Pingzhi Li, Jie Peng, Hanrui Wang, Yang, Zhao, Yu, Cao, Yu Cheng, Tianlong Chen
Date: 2025-05-19 00:00:00
Tasks: Computational Efficiency, Mixture-of-Experts

Mixture-of-experts (MoE) architectures could achieve impressive computational efficiency with expert parallelism, which relies heavily on all-to-all communication across devices. Unfortunately, such communication overhead typically constitutes a significant portion of the total runtime, hampering the scalability of distributed training and inference for modern MoE models (consuming over $40\%$ runtime in large-scale training). In this paper, we first define collaborative communication to illustrate this intrinsic limitation, and then propose system- and algorithm-level innovations to reduce communication costs. Specifically, given a pair of experts co-activated by one token, we call them "collaborated", which comprises $2$ cases as intra- and inter-collaboration, depending on whether they are kept on the same device. Our pilot investigations reveal that augmenting the proportion of intra-collaboration can accelerate expert parallelism at scale. It motivates us to strategically optimize collaborative communication for accelerated MoE training and inference, dubbed Occult. Our designs are capable of either delivering exact results with reduced communication cost or controllably minimizing the cost with collaboration pruning, materialized by modified fine-tuning. Comprehensive experiments on various MoE-LLMs demonstrate that Occult can be faster than popular state-of-the-art inference or training frameworks (more than $1.5\times$ speed up across multiple tasks and models) with comparable or superior quality compared to the standard fine-tuning. Code is available at $\href{https://github.com/UNITES-Lab/Occult}{https://github.com/UNITES-Lab/Occult}$.
MRM3: Machine Readable ML Model Metadata
Authors: Andrej Čop, Blaž Bertalanič, Marko Grobelnik, Carolina Fortuna
Date: 2025-05-19 00:00:00
Tasks: model

As the complexity and number of machine learning (ML) models grows, well-documented ML models are essential for developers and companies to use or adapt them to their specific use cases. Model metadata, already present in unstructured format as model cards in online repositories such as Hugging Face, could be more structured and machine readable while also incorporating environmental impact metrics such as energy consumption and carbon footprint. Our work extends the existing State of the Art by defining a structured schema for ML model metadata focusing on machine-readable format and support for integration into a knowledge graph (KG) for better organization and querying, enabling a wider set of use cases. Furthermore, we present an example wireless localization model metadata dataset consisting of 22 models trained on 4 datasets, integrated into a Neo4j-based KG with 113 nodes and 199 relations.
Detect and Correct: A Selective Noise Correction Method for Learning with Noisy Labels
Authors: Yuval Grinberg, Nimrod Harel, Jacob Goldberger, Ofir Lindenbaum
Date: 2025-05-19 00:00:00
Tasks: Learning with noisy labels, Noise Estimation

Falsely annotated samples, also known as noisy labels, can significantly harm the performance of deep learning models. Two main approaches for learning with noisy labels are global noise estimation and data filtering. Global noise estimation approximates the noise across the entire dataset using a noise transition matrix, but it can unnecessarily adjust correct labels, leaving room for local improvements. Data filtering, on the other hand, discards potentially noisy samples but risks losing valuable data. Our method identifies potentially noisy samples based on their loss distribution. We then apply a selection process to separate noisy and clean samples and learn a noise transition matrix to correct the loss for noisy samples while leaving the clean data unaffected, thereby improving the training process. Our approach ensures robust learning and enhanced model performance by preserving valuable information from noisy samples and refining the correction process. We applied our method to standard image datasets (MNIST, CIFAR-10, and CIFAR-100) and a biological scRNA-seq cell-type annotation dataset. We observed a significant improvement in model accuracy and robustness compared to traditional methods.
Measuring Social Influence with Networked Synthetic Control
Authors: Ho-Chun Herbert Chang
Date: 2025-05-19 00:00:00

Measuring social influence is difficult due to the lack of counter-factuals and comparisons. By combining machine learning-based modeling and network science, we present general properties of social value, a recent measure for social influence using synthetic control applicable to political behavior. Social value diverges from centrality measures on in that it relies on an external regressor to predict an output variable of interest, generates a synthetic measure of influence, then distributes individual contribution based on a social network. Through theoretical derivations, we show the properties of SV under linear regression with and without interaction, across lattice networks, power-law networks, and random graphs. A reduction in computation can be achieved for any ensemble model. Through simulation, we find that the generalized friendship paradox holds -- that in certain situations, your friends have on average more influence than you do.
Thinking Short and Right Over Thinking Long: Serving LLM Reasoning Efficiently and Accurately
Authors: Yuhang Wang, Youhe Jiang, Bin Cui, Fangcheng Fu
Date: 2025-05-19 00:00:00

Recent advances in test-time scaling suggest that Large Language Models (LLMs) can gain better capabilities by generating Chain-of-Thought reasoning (analogous to human thinking) to respond a given request, and meanwhile exploring more reasoning branches (i.e., generating multiple responses and ensembling them) can improve the final output quality. However, when incorporating the two scaling dimensions, we find that the system efficiency is dampened significantly for two reasons. Firstly, the time cost to generate the final output increases substantially as many reasoning branches would be trapped in the over-thinking dilemma, producing excessively long responses. Secondly, generating multiple reasoning branches for each request increases memory consumption, which is unsuitable for LLM serving since we can only batch a limited number of requests to process simultaneously. To address this, we present SART, a serving framework for efficient and accurate LLM reasoning. The essential idea is to manage the thinking to be short and right, rather than long. For one thing, we devise a redundant sampling with early stopping approach based on empirical observations and theoretic analysis, which increases the likelihood of obtaining short-thinking responses when sampling reasoning branches. For another, we propose to dynamically prune low-quality branches so that only right-thinking branches are maintained, reducing the memory consumption and allowing us to batch more requests. Experimental results demonstrate that SART not only improves the accuracy of LLM reasoning but also enhances the serving efficiency, outperforming existing methods by up to 28.2 times and on average 15.7 times in terms of efficiency when achieving the same level of accuracy.
Unlabeled Data or Pre-trained Model: Rethinking Semi-Supervised Learning and Pretrain-Finetuning
Authors: Song-Lin Lv, Rui Zhu, Yu-Feng Li, Lan-Zhe Guo
Date: 2025-05-19 00:00:00
Tasks: image-classification, Image Classification

Semi-supervised learning (SSL) alleviates the cost of data labeling process by exploiting unlabeled data, and has achieved promising results on various tasks such as image classification. Meanwhile, the Pretrain-Finetuning paradigm has garnered significant attention in recent years, and exploiting pre-trained models could also reduce the requirement of labeled data in downstream tasks. Therefore, a question naturally occurs: \emph{When the labeled data is scarce in the target tasks, should we exploit unlabeled data or pre-trained models?} To answer this question, we select pre-trained Vision-Language Models (VLMs) as representative pretrain-finetuning instances and propose \textit{Few-shot SSL} -- a framework that enables fair comparison between these two paradigms by controlling the amount of labeled data used. Extensive experiments across various settings demonstrate that pre-trained VLMs generally outperform SSL methods in nearly all cases, except when the data has low resolution or lacks clear semantic structure. Therefore, we encourage future SSL research to compare with pre-trained models and explore deeper integration, such as using pre-trained knowledge to enhance pseudo-labeling. To support future research, we release our unified reproduction and evaluation framework. Codes are available \href{https://anonymous.4open.science/r/Rethinking-SSL-and-Pretrain-Finetuning-5566 }{here}.
Smoothed SGD for quantiles: Bahadur representation and Gaussian approximation
Authors: Likai Chen, Georg Keilbar, Wei Biao Wu
Date: 2025-05-19 00:00:00

This paper considers the estimation of quantiles via a smoothed version of the stochastic gradient descent (SGD) algorithm. By smoothing the score function in the conventional SGD quantile algorithm, we achieve monotonicity in the quantile level in that the estimated quantile curves do not cross. We derive non-asymptotic tail probability bounds for the smoothed SGD quantile estimate both for the case with and without Polyak-Ruppert averaging. For the latter, we also provide a uniform Bahadur representation and a resulting Gaussian approximation result. Numerical studies show good finite sample behavior for our theoretical results.
Neural Functional: Learning Function to Scalar Maps for Neural PDE Surrogates
Authors: Anthony Zhou, Amir Barati Farimani
Date: 2025-05-19 00:00:00
Tasks: Operator learning

Many architectures for neural PDE surrogates have been proposed in recent years, largely based on neural networks or operator learning. In this work, we derive and propose a new architecture, the Neural Functional, which learns function to scalar mappings. Its implementation leverages insights from operator learning and neural fields, and we show the ability of neural functionals to implicitly learn functional derivatives. For the first time, this allows for an extension of Hamiltonian mechanics to neural PDE surrogates by learning the Hamiltonian functional and optimizing its functional derivatives. We demonstrate that the Hamiltonian Neural Functional can be an effective surrogate model through improved stability and conserving energy-like quantities on 1D and 2D PDEs. Beyond PDEs, functionals are prevalent in physics; functional approximation and learning with its gradients may find other uses, such as in molecular dynamics or design optimization.
RN-F: A Novel Approach for Mitigating Contaminated Data in Large Language Models
Authors: Le Vu Anh, Dinh Duc Nha Nguyen, Phi Long Nguyen
Date: 2025-05-19 00:00:00
Tasks: Code Generation

Large Language Models (LLMs) have become foundational in modern artificial intelligence, powering a wide range of applications from code generation and virtual assistants to scientific research and enterprise automation. However, concerns about data contamination--where test data overlaps with training data--have raised serious questions about the reliability of these applications. Despite awareness of this issue, existing methods fall short in effectively identifying or mitigating contamination. In this paper, we propose Residual-Noise Fingerprinting (RN-F), a novel framework for detecting contaminated data in LLMs. RN-F is a single-pass, gradient-free detection method that leverages residual signal patterns without introducing additional floating-point operations. Our approach is lightweight, model-agnostic, and efficient. We evaluate RN-F on multiple LLMs across various contaminated datasets and show that it consistently outperforms existing state-of-the-art methods, achieving performance improvements of up to 10.5% in contamination detection metrics.
JNLP at SemEval-2025 Task 11: Cross-Lingual Multi-Label Emotion Detection Using Generative Models
Authors: Jieying Xue, Phuong Minh Nguyen, Minh Le Nguyen, Xin Liu
Date: 2025-05-19 00:00:00
Tasks: Emotion Recognition, Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION

With the rapid advancement of global digitalization, users from different countries increasingly rely on social media for information exchange. In this context, multilingual multi-label emotion detection has emerged as a critical research area. This study addresses SemEval-2025 Task 11: Bridging the Gap in Text-Based Emotion Detection. Our paper focuses on two sub-tracks of this task: (1) Track A: Multi-label emotion detection, and (2) Track B: Emotion intensity. To tackle multilingual challenges, we leverage pre-trained multilingual models and focus on two architectures: (1) a fine-tuned BERT-based classification model and (2) an instruction-tuned generative LLM. Additionally, we propose two methods for handling multi-label classification: the base method, which maps an input directly to all its corresponding emotion labels, and the pairwise method, which models the relationship between the input text and each emotion category individually. Experimental results demonstrate the strong generalization ability of our approach in multilingual emotion recognition. In Track A, our method achieved Top 4 performance across 10 languages, ranking 1st in Hindi. In Track B, our approach also secured Top 5 performance in 7 languages, highlighting its simplicity and effectiveness\footnote{Our code is available at https://github.com/yingjie7/mlingual_multilabel_emo_detection.
Conformalized Decision Risk Assessment
Authors: Wenbin Zhou, Agni Orfanoudaki, Shixiang Zhu
Date: 2025-05-19 00:00:00
Tasks: Conformal Prediction

High-stakes decisions in domains such as healthcare, energy, and public policy are often made by human experts using domain knowledge and heuristics, yet are increasingly supported by predictive and optimization-based tools. A dominant approach in operations research is the predict-then-optimize paradigm, where a predictive model estimates uncertain inputs, and an optimization model recommends a decision. However, this approach often lacks interpretability and can fail under distributional uncertainty -- particularly when the outcome distribution is multi-modal or complex -- leading to brittle or misleading decisions. In this paper, we introduce CREDO, a novel framework that quantifies, for any candidate decision, a distribution-free upper bound on the probability that the decision is suboptimal. By combining inverse optimization geometry with conformal prediction and generative modeling, CREDO produces risk certificates that are both statistically rigorous and practically interpretable. This framework enables human decision-makers to audit and validate their own decisions under uncertainty, bridging the gap between algorithmic tools and real-world judgment.
Reconstructing Physics-Informed Machine Learning for Traffic Flow Modeling: a Multi-Gradient Descent and Pareto Learning Approach
Authors: Yuan-Zheng Lei, Yaobang Gong, Dianwei Chen, Yao Cheng, Xianfeng Terry Yang
Date: 2025-05-19 00:00:00
Tasks: Physics-informed machine learning

Physics-informed machine learning (PIML) is crucial in modern traffic flow modeling because it combines the benefits of both physics-based and data-driven approaches. In conventional PIML, physical information is typically incorporated by constructing a hybrid loss function that combines data-driven loss and physics loss through linear scalarization. The goal is to find a trade-off between these two objectives to improve the accuracy of model predictions. However, from a mathematical perspective, linear scalarization is limited to identifying only the convex region of the Pareto front, as it treats data-driven and physics losses as separate objectives. Given that most PIML loss functions are non-convex, linear scalarization restricts the achievable trade-off solutions. Moreover, tuning the weighting coefficients for the two loss components can be both time-consuming and computationally challenging. To address these limitations, this paper introduces a paradigm shift in PIML by reformulating the training process as a multi-objective optimization problem, treating data-driven loss and physics loss independently. We apply several multi-gradient descent algorithms (MGDAs), including traditional multi-gradient descent (TMGD) and dual cone gradient descent (DCGD), to explore the Pareto front in this multi-objective setting. These methods are evaluated on both macroscopic and microscopic traffic flow models. In the macroscopic case, MGDAs achieved comparable performance to traditional linear scalarization methods. Notably, in the microscopic case, MGDAs significantly outperformed their scalarization-based counterparts, demonstrating the advantages of a multi-objective optimization approach in complex PIML scenarios.
Investigating Active Sampling for Hardness Classification with Vision-Based Tactile Sensors
Authors: Junyi Chen, Alap Kshirsagar, Frederik Heller, Mario Gómez Andreu, Boris Belousov, Tim Schneider, Lisa P. Y. Lin, Katja Doerschner, Knut Drewing, Jan Peters
Date: 2025-05-19 00:00:00

One of the most important object properties that humans and robots perceive through touch is hardness. This paper investigates information-theoretic active sampling strategies for sample-efficient hardness classification with vision-based tactile sensors. We evaluate three probabilistic classifier models and two model-uncertainty-based sampling strategies on a robotic setup as well as on a previously published dataset of samples collected by human testers. Our findings indicate that the active sampling approaches, driven by uncertainty metrics, surpass a random sampling baseline in terms of accuracy and stability. Additionally, while in our human study, the participants achieve an average accuracy of 48.00%, our best approach achieves an average accuracy of 88.78% on the same set of objects, demonstrating the effectiveness of vision-based tactile sensors for object hardness classification.