pwc-archive/papers-with-abstracts huggingface dataset:
DriveGen: Towards Infinite Diverse Traffic Scenarios with Large Models
Authors: Shenyu Zhang, Jiaguo Tian, Zhengbang Zhu, Shan Huang, Jucheng Yang, Weinan Zhang
Date: 2025-03-04 00:00:00
Tasks: Autonomous Driving, Diversity, Language Modeling, Language Modelling, Large Language Model

Microscopic traffic simulation has become an important tool for autonomous driving training and testing. Although recent data-driven approaches advance realistic behavior generation, their learning still relies primarily on a single real-world dataset, which limits their diversity and thereby hinders downstream algorithm optimization. In this paper, we propose DriveGen, a novel traffic simulation framework with large models for more diverse traffic generation that supports further customized designs. DriveGen consists of two internal stages: the initialization stage uses large language model and retrieval technique to generate map and vehicle assets; the rollout stage outputs trajectories with selected waypoint goals from visual language model and a specific designed diffusion planner. Through this two-staged process, DriveGen fully utilizes large models' high-level cognition and reasoning of driving behavior, obtaining greater diversity beyond datasets while maintaining high realism. To support effective downstream optimization, we additionally develop DriveGen-CS, an automatic corner case generation pipeline that uses failures of the driving algorithm as additional prompt knowledge for large models without the need for retraining or fine-tuning. Experiments show that our generated scenarios and corner cases have a superior performance compared to state-of-the-art baselines. Downstream experiments further verify that the synthesized traffic of DriveGen provides better optimization of the performance of typical driving algorithms, demonstrating the effectiveness of our framework.
Machine Learned Force Fields: Fundamentals, its reach, and challenges
Authors: Carlos A. Vital, Román J. Armenta-Rico, Huziel E. Sauceda
Date: 2025-03-07 00:00:00
Tasks: Computational chemistry, Computational Efficiency

Highly accurate force fields are a mandatory requirement to generate predictive simulations. In this regard, Machine Learning Force Fields (MLFFs) have emerged as a revolutionary approach in computational chemistry and materials science, combining the accuracy of quantum mechanical methods with computational efficiency orders of magnitude superior to ab-initio methods. This chapter provides an introduction of the fundamentals of learning and how it is applied to construct MLFFs, detailing key methodologies such as neural network potentials and kernel-based models. Emphasis is placed on the construction of SchNet model, as one of the most elemental neural network-based force fields that are nowadays the basis of modern architectures. Additionally, the GDML framework is described in detail as an example of how the elegant formulation of kernel methods can be used to construct mathematically robust and physics-inspired MLFFs. The ongoing advancements in MLFF development continue to expand their applicability, enabling precise simulations of large and complex systems that were previously beyond reach. This chapter concludes by highlighting the transformative impact of MLFFs on scientific research, underscoring their role in driving future discoveries in the fields of chemistry, physics, and materials science.
Enhancing Reasoning with Collaboration and Memory
Authors: Julie Michelman, Nasrin Baratalipour, Matthew Abueg
Date: 2025-03-07 00:00:00

We envision a continuous collaborative learning system where groups of LLM agents work together to solve reasoning problems, drawing on memory they collectively build to improve performance as they gain experience. This work establishes the foundations for such a system by studying the interoperability of chain-of-thought reasoning styles, multi-agent collaboration, and memory banks. Extending beyond the identical agents of self-consistency, we introduce varied-context agents with diverse exemplars and a summarizer agent in place of voting. We generate frozen and continuously learned memory banks of exemplars and pair them with fixed, random, and similarity-based retrieval mechanisms. Our systematic study reveals where various methods contribute to reasoning performance of two LLMs on three grounded reasoning tasks, showing that random exemplar selection can often beat more principled approaches, and in some tasks, inclusion of any exemplars serves only to distract both weak and strong models.
Analyzing the Role of Permutation Invariance in Linear Mode Connectivity
Authors: Keyao Zhan, Puheng Li, Lei Wu
Date: 2025-03-08 00:00:00
Tasks: Linear Mode Connectivity

It was empirically observed in Entezari et al. (2021) that when accounting for the permutation invariance of neural networks, there is likely no loss barrier along the linear interpolation between two SGD solutions -- a phenomenon known as linear mode connectivity (LMC) modulo permutation. This phenomenon has sparked significant attention due to both its theoretical interest and practical relevance in applications such as model merging. In this paper, we provide a fine-grained analysis of this phenomenon for two-layer ReLU networks under a teacher-student setup. We show that as the student network width $m$ increases, the LMC loss barrier modulo permutation exhibits a double descent behavior. Particularly, when $m$ is sufficiently large, the barrier decreases to zero at a rate $O(m^{-1/2})$. Notably, this rate does not suffer from the curse of dimensionality and demonstrates how substantial permutation can reduce the LMC loss barrier. Moreover, we observe a sharp transition in the sparsity of GD/SGD solutions when increasing the learning rate and investigate how this sparsity preference affects the LMC loss barrier modulo permutation. Experiments on both synthetic and MNIST datasets corroborate our theoretical predictions and reveal a similar trend for more complex network architectures.
MANDARIN: Mixture-of-Experts Framework for Dynamic Delirium and Coma Prediction in ICU Patients: Development and Validation of an Acute Brain Dysfunction Prediction Model
Authors: Miguel Contreras, Jessica Sena, Andrea Davidson, Jiaqing Zhang, Tezcan Ozrazgat-Baslanti, Yuanfang Ren, Ziyuan Guan, Jeremy Balch, Tyler Loftus, Subhash Nerella, Azra Bihorac, Parisa Rashidi
Date: 2025-03-08 00:00:00
Tasks: Mixture-of-Experts

Acute brain dysfunction (ABD) is a common, severe ICU complication, presenting as delirium or coma and leading to prolonged stays, increased mortality, and cognitive decline. Traditional screening tools like the Glasgow Coma Scale (GCS), Confusion Assessment Method (CAM), and Richmond Agitation-Sedation Scale (RASS) rely on intermittent assessments, causing delays and inconsistencies. In this study, we propose MANDARIN (Mixture-of-Experts Framework for Dynamic Delirium and Coma Prediction in ICU Patients), a 1.5M-parameter mixture-of-experts neural network to predict ABD in real-time among ICU patients. The model integrates temporal and static data from the ICU to predict the brain status in the next 12 to 72 hours, using a multi-branch approach to account for current brain status. The MANDARIN model was trained on data from 92,734 patients (132,997 ICU admissions) from 2 hospitals between 2008-2019 and validated externally on data from 11,719 patients (14,519 ICU admissions) from 15 hospitals and prospectively on data from 304 patients (503 ICU admissions) from one hospital in 2021-2024. Three datasets were used: the University of Florida Health (UFH) dataset, the electronic ICU Collaborative Research Database (eICU), and the Medical Information Mart for Intensive Care (MIMIC)-IV dataset. MANDARIN significantly outperforms the baseline neurological assessment scores (GCS, CAM, and RASS) for delirium prediction in both external (AUROC 75.5% CI: 74.2%-76.8% vs 68.3% CI: 66.9%-69.5%) and prospective (AUROC 82.0% CI: 74.8%-89.2% vs 72.7% CI: 65.5%-81.0%) cohorts, as well as for coma prediction (external AUROC 87.3% CI: 85.9%-89.0% vs 72.8% CI: 70.6%-74.9%, and prospective AUROC 93.4% CI: 88.5%-97.9% vs 67.7% CI: 57.7%-76.8%) with a 12-hour lead time. This tool has the potential to assist clinicians in decision-making by continuously monitoring the brain status of patients in the ICU.
Fixing the Pitfalls of Probabilistic Time-Series Forecasting Evaluation by Kernel Quadrature
Authors: Masaki Adachi, Masahiro Fujisawa, Michael A Osborne
Date: 2025-03-08 00:00:00
Tasks: Probabilistic Time Series Forecasting, Time Series, Time Series Forecasting

Despite the significance of probabilistic time-series forecasting models, their evaluation metrics often involve intractable integrations. The most widely used metric, the continuous ranked probability score (CRPS), is a strictly proper scoring function; however, its computation requires approximation. We found that popular CRPS estimators--specifically, the quantile-based estimator implemented in the widely used GluonTS library and the probability-weighted moment approximation--both exhibit inherent estimation biases. These biases lead to crude approximations, resulting in improper rankings of forecasting model performance when CRPS values are close. To address this issue, we introduced a kernel quadrature approach that leverages an unbiased CRPS estimator and employs cubature construction for scalable computation. Empirically, our approach consistently outperforms the two widely used CRPS estimators.
ZO-DARTS++: An Efficient and Size-Variable Zeroth-Order Neural Architecture Search Algorithm
Authors: Lunchen Xie, Eugenio Lomurno, Matteo Gambella, Danilo Ardagna, Manual Roveri, Matteo Matteucci, Qingjiang Shi
Date: 2025-03-08 00:00:00
Tasks: Neural Architecture Search

Differentiable Neural Architecture Search (NAS) provides a promising avenue for automating the complex design of deep learning (DL) models. However, current differentiable NAS methods often face constraints in efficiency, operation selection, and adaptability under varying resource limitations. We introduce ZO-DARTS++, a novel NAS method that effectively balances performance and resource constraints. By integrating a zeroth-order approximation for efficient gradient handling, employing a sparsemax function with temperature annealing for clearer and more interpretable architecture distributions, and adopting a size-variable search scheme for generating compact yet accurate architectures, ZO-DARTS++ establishes a new balance between model complexity and performance. In extensive tests on medical imaging datasets, ZO-DARTS++ improves the average accuracy by up to 1.8\% over standard DARTS-based methods and shortens search time by approximately 38.6\%. Additionally, its resource-constrained variants can reduce the number of parameters by more than 35\% while maintaining competitive accuracy levels. Thus, ZO-DARTS++ offers a versatile and efficient framework for generating high-quality, resource-aware DL models suitable for real-world medical applications.
Double Debiased Machine Learning for Mediation Analysis with Continuous Treatments
Authors: Houssam Zenati, Judith Abécassis, Julie Josse, Bertrand Thirion
Date: 2025-03-08 00:00:00

Uncovering causal mediation effects is of significant value to practitioners seeking to isolate the direct treatment effect from the potential mediated effect. We propose a double machine learning (DML) algorithm for mediation analysis that supports continuous treatments. To estimate the target mediated response curve, our method uses a kernel-based doubly robust moment function for which we prove asymptotic Neyman orthogonality. This allows us to obtain asymptotic normality with nonparametric convergence rate while allowing for nonparametric or parametric estimation of the nuisance parameters. We then derive an optimal bandwidth strategy along with a procedure for estimating asymptotic confidence intervals. Finally, to illustrate the benefits of our method, we provide a numerical evaluation of our approach on a simulation along with an application to real-world medical data to analyze the effect of glycemic control on cognitive functions.
Breaking Free from MMI: A New Frontier in Rationalization by Probing Input Utilization
Authors: Wei Liu, Zhiying Deng, Zhongyu Niu, Jun Wang, Haozhao Wang, Zhigang Zeng, Ruixuan Li
Date: 2025-03-08 00:00:00
Tasks: Graph Classification, text-classification, Text Classification

Extracting a small subset of crucial rationales from the full input is a key problem in explainability research. The most widely used fundamental criterion for rationale extraction is the maximum mutual information (MMI) criterion. In this paper, we first demonstrate that MMI suffers from diminishing marginal returns. Once part of the rationale has been identified, finding the remaining portions contributes only marginally to increasing the mutual information, making it difficult to use MMI to locate the rest. In contrast to MMI that aims to reproduce the prediction, we seek to identify the parts of the input that the network can actually utilize. This is achieved by comparing how different rationale candidates match the capability space of the weight matrix. The weight matrix of a neural network is typically low-rank, meaning that the linear combinations of its column vectors can only cover part of the directions in a high-dimensional space (high-dimension: the dimensions of an input vector). If an input is fully utilized by the network, {it generally matches these directions (e.g., a portion of a hypersphere), resulting in a representation with a high norm. Conversely, if an input primarily falls outside (orthogonal to) these directions}, its representation norm will approach zero, behaving like noise that the network cannot effectively utilize. Building on this, we propose using the norms of rationale candidates as an alternative objective to MMI. Through experiments on four text classification datasets and one graph classification dataset using three network architectures (GRUs, BERT, and GCN), we show that our method outperforms MMI and its improved variants in identifying better rationales. We also compare our method with a representative LLM (llama-3.1-8b-instruct) and find that our simple method gets comparable results to it and can sometimes even outperform it.
StreamMind: Unlocking Full Frame Rate Streaming Video Dialogue through Event-Gated Cognition
Authors: Xin Ding, Hao Wu, Yifan Yang, Shiqi Jiang, Donglin Bai, Zhibo Chen, Ting Cao
Date: 2025-03-08 00:00:00

With the rise of real-world human-AI interaction applications, such as AI assistants, the need for Streaming Video Dialogue is critical. To address this need, we introduce StreamMind, a video LLM framework that achieves ultra-FPS streaming video processing (100 fps on a single A100) and enables proactive, always-on responses in real time, without explicit user intervention. To solve the key challenge of the contradiction between linear video streaming speed and quadratic transformer computation cost, we propose a novel perception-cognition interleaving paradigm named ''event-gated LLM invocation'', in contrast to the existing per-time-step LLM invocation. By introducing a Cognition Gate network between the video encoder and the LLM, LLM is only invoked when relevant events occur. To realize the event feature extraction with constant cost, we propose Event-Preserving Feature Extractor (EPFE) based on state-space method, generating a single perception token for spatiotemporal features. These techniques enable the video LLM with full-FPS perception and real-time cognition response. Experiments on Ego4D and SoccerNet streaming tasks, as well as standard offline benchmarks, demonstrate state-of-the-art performance in both model capability and real-time efficiency, paving the way for ultra-high-FPS applications, such as Game AI and interactive media. The code and data is available at https://aka.ms/StreamMind.
VORTEX: Challenging CNNs at Texture Recognition by using Vision Transformers with Orderless and Randomized Token Encodings
Authors: Leonardo Scabini, Kallil M. Zielinski, Emir Konuk, Ricardo T. Fares, Lucas C. Ribas, Kevin Smith, Odemir M. Bruno
Date: 2025-03-09 00:00:00
Tasks: Computational Efficiency, Feature Engineering, Texture Classification

Texture recognition has recently been dominated by ImageNet-pre-trained deep Convolutional Neural Networks (CNNs), with specialized modifications and feature engineering required to achieve state-of-the-art (SOTA) performance. However, although Vision Transformers (ViTs) were introduced a few years ago, little is known about their texture recognition ability. Therefore, in this work, we introduce VORTEX (ViTs with Orderless and Randomized Token Encodings for Texture Recognition), a novel method that enables the effective use of ViTs for texture analysis. VORTEX extracts multi-depth token embeddings from pre-trained ViT backbones and employs a lightweight module to aggregate hierarchical features and perform orderless encoding, obtaining a better image representation for texture recognition tasks. This approach allows seamless integration with any ViT with the common transformer architecture. Moreover, no fine-tuning of the backbone is performed, since they are used only as frozen feature extractors, and the features are fed to a linear SVM. We evaluate VORTEX on nine diverse texture datasets, demonstrating its ability to achieve or surpass SOTA performance in a variety of texture analysis scenarios. By bridging the gap between texture recognition with CNNs and transformer-based architectures, VORTEX paves the way for adopting emerging transformer foundation models. Furthermore, VORTEX demonstrates robust computational efficiency when coupled with ViT backbones compared to CNNs with similar costs. The method implementation and experimental scripts are publicly available in our online repository.
Swift Hydra: Self-Reinforcing Generative Framework for Anomaly Detection with Multiple Mamba Models
Authors: Nguyen Do, Truc Nguyen, Malik Hassanaly, Raed Alharbi, Jung Taek Seo, My T. Thai
Date: 2025-03-09 00:00:00
Tasks: Anomaly Detection, Mamba, Mixture-of-Experts, Reinforcement Learning (RL)

Despite a plethora of anomaly detection models developed over the years, their ability to generalize to unseen anomalies remains an issue, particularly in critical systems. This paper aims to address this challenge by introducing Swift Hydra, a new framework for training an anomaly detection method based on generative AI and reinforcement learning (RL). Through featuring an RL policy that operates on the latent variables of a generative model, the framework synthesizes novel and diverse anomaly samples that are capable of bypassing a detection model. These generated synthetic samples are, in turn, used to augment the detection model, further improving its ability to handle challenging anomalies. Swift Hydra also incorporates Mamba models structured as a Mixture of Experts (MoE) to enable scalable adaptation of the number of Mamba experts based on data complexity, effectively capturing diverse feature distributions without increasing the model's inference time. Empirical evaluations on ADBench benchmark demonstrate that Swift Hydra outperforms other state-of-the-art anomaly detection models while maintaining a relatively short inference time. From these results, our research highlights a new and auspicious paradigm of integrating RL and generative AI for advancing anomaly detection.
SEED: Towards More Accurate Semantic Evaluation for Visual Brain Decoding
Authors: Juhyeon Park, Peter Yongho Kim, Jiook Cha, Shinjae Yoo, Taesup Moon
Date: 2025-03-09 00:00:00
Tasks: Brain Decoding, Semantic Similarity, Semantic Textual Similarity

We present SEED (\textbf{Se}mantic \textbf{E}valuation for Visual Brain \textbf{D}ecoding), a novel metric for evaluating the semantic decoding performance of visual brain decoding models. It integrates three complementary metrics, each capturing a different aspect of semantic similarity between images. Using carefully crowd-sourced human judgment data, we demonstrate that SEED achieves the highest alignment with human evaluations, outperforming other widely used metrics. Through the evaluation of existing visual brain decoding models, we further reveal that crucial information is often lost in translation, even in state-of-the-art models that achieve near-perfect scores on existing metrics. To facilitate further research, we open-source the human judgment data, encouraging the development of more advanced evaluation methods for brain decoding models. Additionally, we propose a novel loss function designed to enhance semantic decoding performance by leveraging the order of pairwise cosine similarity in CLIP image embeddings. This loss function is compatible with various existing methods and has been shown to consistently improve their semantic decoding performances when used for training, with respect to both existing metrics and SEED.
Fine-Grained Alignment and Noise Refinement for Compositional Text-to-Image Generation
Authors: Amir Mohammad Izadi, Seyed Mohammad Hadi Hosseini, Soroush Vafaie Tabar, Ali Abdollahi, Armin Saghafian, Mahdieh Soleymani Baghshah
Date: 2025-03-09 00:00:00
Tasks: Attribute, Image Generation, Text to Image Generation, Text-to-Image Generation

Text-to-image generative models have made significant advancements in recent years; however, accurately capturing intricate details in textual prompts, such as entity missing, attribute binding errors, and incorrect relationships remains a formidable challenge. In response, we present an innovative, training-free method that directly addresses these challenges by incorporating tailored objectives to account for textual constraints. Unlike layout-based approaches that enforce rigid structures and limit diversity, our proposed approach offers a more flexible arrangement of the scene by imposing just the extracted constraints from the text, without any unnecessary additions. These constraints are formulated as losses-entity missing, entity mixing, attribute binding, and spatial relationships, integrated into a unified loss that is applied in the first generation stage. Furthermore, we introduce a feedback-driven system for fine-grained initial noise refinement. This system integrates a verifier that evaluates the generated image, identifies inconsistencies, and provides corrective feedback. Leveraging this feedback, our refinement method first targets the unmet constraints by refining the faulty attention maps caused by initial noise, through the optimization of selective losses associated with these constraints. Subsequently, our unified loss function is reapplied to proceed the second generation phase. Experimental results demonstrate that our method, relying solely on our proposed objective functions, significantly enhances compositionality, achieving a 24% improvement in human evaluation and a 25% gain in spatial relationships. Furthermore, our fine-grained noise refinement proves effective, boosting performance by up to 5%. Code is available at https://github.com/hadi-hosseini/noise-refinement.