pwc-archive/papers-with-abstracts huggingface dataset:
Deep Learning for On-Street Parking Violation Prediction
Authors: Thien Nhan Vo
Date: 2025-05-11 00:00:00
Tasks: Data Augmentation, Deep Learning, Prediction

Illegal parking along with the lack of available parking spaces are among the biggest issues faced in many large cities. These issues can have a significant impact on the quality of life of citizens. On-street parking systems have been designed to this end aiming at ensuring that parking spaces will be available for the local population, while also providing easy access to parking for people visiting the city center. However, these systems are often affected by illegal parking, providing incorrect information regarding the availability of parking spaces. Even though this can be mitigated using sensors for detecting the presence of cars in various parking sectors, the cost of these implementations is usually prohibiting large. In this paper, we investigate an indirect way of predicting parking violations at a fine-grained level, equipping such parking systems with a valuable tool for providing more accurate information to citizens. To this end, we employed a Deep Learning (DL)-based model to predict fine-grained parking violation rates for on-street parking systems. Moreover, we developed a data augmentation and smoothing technique for further improving the accuracy of DL models under the presence of missing and noisy data. We demonstrate, using experiments on real data collected in Thessaloniki, Greece, that the developed system can indeed provide accurate parking violation predictions.
A stochastic gradient method for trilevel optimization
Authors: Tommaso Giovannelli, Griffin Dean Kent, Luis Nunes Vicente
Date: 2025-05-11 00:00:00
Tasks: Bilevel Optimization

With the success that the field of bilevel optimization has seen in recent years, similar methodologies have started being applied to solving more difficult applications that arise in trilevel optimization. At the helm of these applications are new machine learning formulations that have been proposed in the trilevel context and, as a result, efficient and theoretically sound stochastic methods are required. In this work, we propose the first-ever stochastic gradient descent method for solving unconstrained trilevel optimization problems and provide a convergence theory that covers all forms of inexactness of the trilevel adjoint gradient, such as the inexact solutions of the middle-level and lower-level problems, inexact computation of the trilevel adjoint formula, and noisy estimates of the gradients, Hessians, Jacobians, and tensors of third-order derivatives involved. We also demonstrate the promise of our approach by providing numerical results on both synthetic trilevel problems and trilevel formulations for hyperparameter adversarial tuning.
Topology Guidance: Controlling the Outputs of Generative Models via Vector Field Topology
Authors: Xiaohan Wang, Matthew Berger
Date: 2025-05-11 00:00:00
Tasks: Denoising

For domains that involve numerical simulation, it can be computationally expensive to run an ensemble of simulations spanning a parameter space of interest to a user. To this end, an attractive surrogate for simulation is the generative modeling of fields produced by an ensemble, allowing one to synthesize fields in a computationally cheap, yet accurate, manner. However, for the purposes of visual analysis, a limitation of generative models is their lack of control, as it is unclear what one should expect when sampling a field from a model. In this paper we study how to make generative models of fields more controllable, so that users can specify features of interest, in particular topological features, that they wish to see in the output. We propose topology guidance, a method for guiding the sampling process of a generative model, specifically a diffusion model, such that a topological description specified as input is satisfied in the generated output. Central to our method, we couple a coordinate-based neural network used to represent fields, with a diffusion model used for generation. We show how to use topologically-relevant signals provided by the coordinate-based network to help guide the denoising process of a diffusion model. This enables us to faithfully represent a user's specified topology, while ensuring that the output field remains within the generative data distribution. Specifically, we study 2D vector field topology, evaluating our method over an ensemble of fluid flows, where we show that generated vector fields faithfully adhere to the location, and type, of critical points over the spatial domain. We further show the benefits of our method in aiding the comparison of ensembles, allowing one to explore commonalities and differences in distributions along prescribed topological features.
Reverse-BSDE Monte Carlo
Authors: Jairon H. N. Batista, Flávio B. Gonçalves, Yuri F. Saporito, Rodrigo S. Targino
Date: 2025-05-11 00:00:00

Recently, there has been a growing interest in generative models based on diffusions driven by the empirical robustness of these methods in generating high-dimensional photorealistic images and the possibility of using the vast existing toolbox of stochastic differential equations. %This remarkable ability may stem from their capacity to model and generate multimodal distributions. In this work, we offer a novel perspective on the approach introduced in Song et al. (2021), shifting the focus from a "learning" problem to a "sampling" problem. To achieve this, we reformulate the equations governing diffusion-based generative models as a Forward-Backward Stochastic Differential Equation (FBSDE), which avoids the well-known issue of pre-estimating the gradient of the log target density. The solution of this FBSDE is proved to be unique using non-standard techniques. Additionally, we propose a numerical solution to this problem, leveraging on Deep Learning techniques. This reformulation opens new pathways for sampling multidimensional distributions with densities known up to a normalization constant, a problem frequently encountered in Bayesian statistics.
Quantum RNNs and LSTMs Through Entangling and Disentangling Power of Unitary Transformations
Authors: Ammar Daskin
Date: 2025-05-10 00:00:00

In this paper, we discuss how quantum recurrent neural networks (RNNs) and their enhanced version, long short-term memory (LSTM) networks, can be modeled using the core ideas presented in Ref.[1], where the entangling and disentangling power of unitary transformations is investigated. In particular, we interpret entangling and disentangling power as information retention and forgetting mechanisms in LSTMs. Therefore, entanglement becomes a key component of the optimization (training) process. We believe that, by leveraging prior knowledge of the entangling power of unitaries, the proposed quantum-classical framework can guide and help to design better-parameterized quantum circuits for various real-world applications.
JaxRobotarium: Training and Deploying Multi-Robot Policies in 10 Minutes
Authors: Shalin Anand Jain, Jiazhen Liu, Siva Kailas, Harish Ravichandar
Date: 2025-05-10 00:00:00
Tasks: Benchmarking, GPU, Multi-agent Reinforcement Learning, SMAC, SMAC+

Multi-agent reinforcement learning (MARL) has emerged as a promising solution for learning complex and scalable coordination behaviors in multi-robot systems. However, established MARL platforms (e.g., SMAC and MPE) lack robotics relevance and hardware deployment, leaving multi-robot learning researchers to develop bespoke environments and hardware testbeds dedicated to the development and evaluation of their individual contributions. The Multi-Agent RL Benchmark and Learning Environment for the Robotarium (MARBLER) is an exciting recent step in providing a standardized robotics-relevant platform for MARL, by bridging the Robotarium testbed with existing MARL software infrastructure. However, MARBLER lacks support for parallelization and GPU/TPU execution, making the platform prohibitively slow compared to modern MARL environments and hindering adoption. We contribute JaxRobotarium, a Jax-powered end-to-end simulation, learning, deployment, and benchmarking platform for the Robotarium. JaxRobotarium enables rapid training and deployment of multi-robot RL (MRRL) policies with realistic robot dynamics and safety constraints, supporting parallelization and hardware acceleration. Our generalizable learning interface integrates easily with SOTA MARL libraries (e.g., JaxMARL). In addition, JaxRobotarium includes eight standardized coordination scenarios, including four novel scenarios that bring established MARL benchmark tasks (e.g., RWARE and Level-Based Foraging) to a robotics setting. We demonstrate that JaxRobotarium retains high simulation fidelity while achieving dramatic speedups over baseline (20x in training and 150x in simulation), and provides an open-access sim-to-real evaluation pipeline through the Robotarium testbed, accelerating and democratizing access to multi-robot learning research and evaluation. Our code is available at https://github.com/GT-STAR-Lab/JaxRobotarium.
Investigating Robotaxi Crash Severity Using Geographical Random Forest
Authors: Junfeng Jiao, Seung Gyu Baik, Seung Jun Choi, Yiming Xu
Date: 2025-05-10 00:00:00
Tasks: Autonomous Vehicles

This paper quantitatively investigates the crash severity of Autonomous Vehicles (AVs) with spatially localized machine learning and macroscopic measures of the urban built environment. We address spatial heterogeneity and spatial autocorrelation, while focusing on land use patterns and human behavior. Our Geographical Random Forest (GRF) model, accompanied with a crash severity risk map of San Francisco, presents three findings that are useful for commercial operations of AVs and robotaxis. First, spatially localized machine learning performed better than regular machine learning, when predicting AV crash severity. Bias-variance tradeoff was evident as we adjust the localization weight hyperparameter. Second, land use was the most important built environment measure, compared to intersections, building footprints, public transit stops, and Points Of Interests (POIs). Third, it was predicted that city center areas with greater diversity and commercial activities were more likely to result in low-severity AV crashes, than residential neighborhoods. Residential land use may be associated with higher severity due to human behavior and less restrictive environment. This paper recommends to explicitly consider geographic locations, and to design safety measures specific to residential neighborhoods, when robotaxi operators train their AV systems.
Learning Graph Representation of Agent Diffusers
Authors: Youcef Djenouri, Nassim Belmecheri, Tomasz Michalak, Jan Dubiński, Ahmed Nabil Belbachir, Anis Yazidi
Date: 2025-05-10 00:00:00
Tasks: Graph Neural Network, Image Generation, Reading Comprehension, Zero-shot Generalization

Diffusion-based generative models have significantly advanced text-to-image synthesis, demonstrating impressive text comprehension and zero-shot generalization. These models refine images from random noise based on textual prompts, with initial reliance on text input shifting towards enhanced visual fidelity over time. This transition suggests that static model parameters might not optimally address the distinct phases of generation. We introduce LGR-AD (Learning Graph Representation of Agent Diffusers), a novel multi-agent system designed to improve adaptability in dynamic computer vision tasks. LGR-AD models the generation process as a distributed system of interacting agents, each representing an expert sub-model. These agents dynamically adapt to varying conditions and collaborate through a graph neural network that encodes their relationships and performance metrics. Our approach employs a coordination mechanism based on top-$k$ maximum spanning trees, optimizing the generation process. Each agent's decision-making is guided by a meta-model that minimizes a novel loss function, balancing accuracy and diversity. Theoretical analysis and extensive empirical evaluations show that LGR-AD outperforms traditional diffusion models across various benchmarks, highlighting its potential for scalable and flexible solutions in complex image generation tasks. Code is available at: https://github.com/YousIA/LGR_AD
Privacy-aware Berrut Approximated Coded Computing applied to general distributed learning
Authors: Xavier Martínez-Luaña, Manuel Fernández-Veiga, Rebeca P. Díaz-Redondo, Ana Fernández-Vilas
Date: 2025-05-10 00:00:00
Tasks: Federated Learning

Coded computing is one of the techniques that can be used for privacy protection in Federated Learning. However, most of the constructions used for coded computing work only under the assumption that the computations involved are exact, generally restricted to special classes of functions, and require quantized inputs. This paper considers the use of Private Berrut Approximate Coded Computing (PBACC) as a general solution to add strong but non-perfect privacy to federated learning. We derive new adapted PBACC algorithms for centralized aggregation, secure distributed training with centralized data, and secure decentralized training with decentralized data, thus enlarging significantly the applications of the method and the existing privacy protection tools available for these paradigms. Particularly, PBACC can be used robustly to attain privacy guarantees in decentralized federated learning for a variety of models. Our numerical results show that the achievable quality of different learning models (convolutional neural networks, variational autoencoders, and Cox regression) is minimally altered by using these new computing schemes, and that the privacy leakage can be bounded strictly to less than a fraction of one bit per participant. Additionally, the computational cost of the encoding and decoding processes depends only of the degree of decentralization of the data.
Out-of-Sample Embedding with Proximity Data: Projection versus Restricted Reconstruction
Authors: Michael W. Trosset, Kaiyi Tan, Minh Tang, Carey E. Priebe
Date: 2025-05-10 00:00:00

The problem of using proximity (similarity or dissimilarity) data for the purpose of "adding a point to a vector diagram" was first studied by J.C. Gower in 1968. Since then, a number of methods -- mostly kernel methods -- have been proposed for solving what has come to be called the problem of *out-of-sample embedding*. We survey the various kernel methods that we have encountered and show that each can be derived from one or the other of two competing strategies: *projection* or *restricted reconstruction*. Projection can be analogized to a well-known formula for adding a point to a principal component analysis. Restricted reconstruction poses a different challenge: how to best approximate redoing the entire multivariate analysis while holding fixed the vector diagram that was previously obtained. This strategy results in a nonlinear optimization problem that can be simplified to a unidimensional search. Various circumstances may warrant either projection or restricted reconstruction.
Boltzmann Classifier: A Thermodynamic-Inspired Approach to Supervised Learning
Authors: Muhamed Amin, Bernard R. Brooks
Date: 2025-05-10 00:00:00
Tasks: Activity Prediction, Decision Making

We present the Boltzmann classifier, a novel distance based probabilistic classification algorithm inspired by the Boltzmann distribution. Unlike traditional classifiers that produce hard decisions or uncalibrated probabilities, the Boltzmann classifier assigns class probabilities based on the average distance to the nearest neighbors within each class, providing interpretable, physically meaningful outputs. We evaluate the performance of the method across three application domains: molecular activity prediction, oxidation state classification of transition metal complexes, and breast cancer diagnosis. In the molecular activity task, the classifier achieved the highest accuracy in predicting active compounds against two protein targets, with strong correlations observed between the predicted probabilities and experimental pIC50 values. For metal complexes, the classifier accurately distinguished between oxidation states II and III for Fe, Mn, and Co, using only metal-ligand bond lengths extracted from crystallographic data, and demonstrated high consistency with known chemical trends. In the breast cancer dataset, the classifier achieved 97% accuracy, with low confidence predictions concentrated in inherently ambiguous cases. Across all tasks, the Boltzmann classifier performed competitively or better than standard models such as logistic regression, support vector machines, random forests, and k-nearest neighbors. Its probabilistic outputs were found to correlate with continuous physical or biological properties, highlighting its potential utility in both classification and regression contexts. The results suggest that the Boltzmann classifier is a robust and interpretable alternative to conventional machine learning approaches, particularly in scientific domains where underlying structure property relationships are important.
LineFlow: A Framework to Learn Active Control of Production Lines
Authors: Kai Müller, Martin Wenzel, Tobias Windisch
Date: 2025-05-10 00:00:00
Tasks: Reinforcement Learning (RL)

Many production lines require active control mechanisms, such as adaptive routing, worker reallocation, and rescheduling, to maintain optimal performance. However, designing these control systems is challenging for various reasons, and while reinforcement learning (RL) has shown promise in addressing these challenges, a standardized and general framework is still lacking. In this work, we introduce LineFlow, an extensible, open-source Python framework for simulating production lines of arbitrary complexity and training RL agents to control them. To demonstrate the capabilities and to validate the underlying theoretical assumptions of LineFlow, we formulate core subproblems of active line control in ways that facilitate mathematical analysis. For each problem, we provide optimal solutions for comparison. We benchmark state-of-the-art RL algorithms and show that the learned policies approach optimal performance in well-understood scenarios. However, for more complex, industrial-scale production lines, RL still faces significant challenges, highlighting the need for further research in areas such as reward shaping, curriculum learning, and hierarchical control.
Activity and Subject Detection for UCI HAR Dataset with & without missing Sensor Data
Authors: Debashish Saha, Piyush Malik, Adrika Saha
Date: 2025-05-10 00:00:00
Tasks: Activity Recognition, Human Activity Recognition, Imputation

Current studies in Human Activity Recognition (HAR) primarily focus on the classification of activities through sensor data, while there is not much emphasis placed on recognizing the individuals performing these activities. This type of classification is very important for developing personalized and context-sensitive applications. Additionally, the issue of missing sensor data, which often occurs in practical situations due to hardware malfunctions, has not been explored yet. This paper seeks to fill these voids by introducing a lightweight LSTM-based model that can be used to classify both activities and subjects. The proposed model was used to classify the HAR dataset by UCI [1], achieving an accuracy of 93.89% in activity recognition (across six activities), nearing the 96.67% benchmark, and an accuracy of 80.19% in subject recognition (involving 30 subjects), thereby establishing a new baseline for this area of research. We then simulate the absence of sensor data to mirror real-world scenarios and incorporate imputation techniques, both with and without Principal Component Analysis (PCA), to restore incomplete datasets. We found that K-Nearest Neighbors (KNN) imputation performs the best for filling the missing sensor data without PCA because the use of PCA resulted in slightly lower accuracy. These results demonstrate how well the framework handles missing sensor data, which is a major step forward in using the Human Activity Recognition dataset for reliable classification tasks.
Efficient Parallelization of Message Passing Neural Network Potentials for Large-scale Molecular Dynamics
Authors: Junfan Xia, Bin Jiang
Date: 2025-05-10 00:00:00

Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models have demonstrated their superior accuracy and become increasingly popular. However, efficiently parallelizing MPNN models across multiple nodes remains challenging, limiting their practical applications in large-scale simulations. Here, we propose an efficient parallel algorithm for MPNN models, in which additional data communication is minimized among local atoms only in each MP layer without redundant computation, thus scaling linearly with the layer number. Integrated with our recursively embedded atom neural network model, this algorithm demonstrates excellent strong scaling and weak scaling behaviors in several benchmark systems. This approach enables massive molecular dynamics simulations on MPNN models as fast as on strictly local models for over 100 million atoms, vastly extending the applicability of the MPNN potential to an unprecedented scale. This general parallelization framework can empower various MPNN models to efficiently simulate very large and complex systems.
Beyond $\tilde{O}(\sqrt{T})$ Constraint Violation for Online Convex Optimization with Adversarial Constraints
Authors: Abhishek Sinha, Rahul Vaze
Date: 2025-05-10 00:00:00

We revisit the Online Convex Optimization problem with adversarial constraints (COCO) where, in each round, a learner is presented with a convex cost function and a convex constraint function, both of which may be chosen adversarially. The learner selects actions from a convex decision set in an online fashion, with the goal of minimizing both regret and the cumulative constraint violation (CCV) over a horizon of $T$ rounds. The best-known policy for this problem achieves $O(\sqrt{T})$ regret and $\tilde{O}(\sqrt{T})$ CCV. In this paper, we present a surprising improvement that achieves a significantly smaller CCV by trading it off with regret. Specifically, for any bounded convex cost and constraint functions, we propose an online policy that achieves $\tilde{O}(\sqrt{dT}+ T^\beta)$ regret and $\tilde{O}(dT^{1-\beta})$ CCV, where $d$ is the dimension of the decision set and $\beta \in [0,1]$ is a tunable parameter. We achieve this result by first considering the special case of $\textsf{Constrained Expert}$ problem where the decision set is a probability simplex and the cost and constraint functions are linear. Leveraging a new adaptive small-loss regret bound, we propose an efficient policy for the $\textsf{Constrained Expert}$ problem, that attains $O(\sqrt{T\ln N}+T^{\beta})$ regret and $\tilde{O}(T^{1-\beta} \ln N)$ CCV, where $N$ is the number of experts. The original problem is then reduced to the $\textsf{Constrained Expert}$ problem via a covering argument. Finally, with an additional smoothness assumption, we propose an efficient gradient-based policy attaining $O(T^{\max(\frac{1}{2},\beta)})$ regret and $\tilde{O}(T^{1-\beta})$ CCV.