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SubscribeHuman Choice Prediction in Language-based Persuasion Games: Simulation-based Off-Policy Evaluation
Recent advances in Large Language Models (LLMs) have spurred interest in designing LLM-based agents for tasks that involve interaction with human and artificial agents. This paper addresses a key aspect in the design of such agents: Predicting human decision in off-policy evaluation (OPE), focusing on language-based persuasion games, where the agent's goal is to influence its partner's decisions through verbal messages. Using a dedicated application, we collected a dataset of 87K decisions from humans playing a repeated decision-making game with artificial agents. Our approach involves training a model on human interactions with one agents subset to predict decisions when interacting with another. To enhance off-policy performance, we propose a simulation technique involving interactions across the entire agent space and simulated decision makers. Our learning strategy yields significant OPE gains, e.g., improving prediction accuracy in the top 15% challenging cases by 7.1%. Our code and the large dataset we collected and generated are submitted as supplementary material and publicly available in our GitHub repository: https://github.com/eilamshapira/HumanChoicePrediction
SKT: Integrating State-Aware Keypoint Trajectories with Vision-Language Models for Robotic Garment Manipulation
Automating garment manipulation poses a significant challenge for assistive robotics due to the diverse and deformable nature of garments. Traditional approaches typically require separate models for each garment type, which limits scalability and adaptability. In contrast, this paper presents a unified approach using vision-language models (VLMs) to improve keypoint prediction across various garment categories. By interpreting both visual and semantic information, our model enables robots to manage different garment states with a single model. We created a large-scale synthetic dataset using advanced simulation techniques, allowing scalable training without extensive real-world data. Experimental results indicate that the VLM-based method significantly enhances keypoint detection accuracy and task success rates, providing a more flexible and general solution for robotic garment manipulation. In addition, this research also underscores the potential of VLMs to unify various garment manipulation tasks within a single framework, paving the way for broader applications in home automation and assistive robotics for future.
Interpreting the extremely diffuse stellar distribution of Nube galaxy through fuzzy dark matter
Recent observations have revealed an unusual stellar distribution within the almost dark dwarf galaxy Nube. The galaxy exhibits a remarkably flat stellar distribution, with an effective radius of approximately 6.9 kpc, exceeding the typical size of dwarf galaxies and even surpassing that of ultra-diffuse galaxies (UDGs) with similar stellar masses. The dynamical heating effect of fuzzy dark matter (FDM) may offer an explanation for this extremely diffuse stellar distribution in Nube. In this research, we utilize simulation techniques to investigate this issue and find that a particle mass O (1)times 10^{-23} eV offers a plausible explanation for this peculiar stellar distribution anomaly.
Designing Reliable Experiments with Generative Agent-Based Modeling: A Comprehensive Guide Using Concordia by Google DeepMind
In social sciences, researchers often face challenges when conducting large-scale experiments, particularly due to the simulations' complexity and the lack of technical expertise required to develop such frameworks. Agent-Based Modeling (ABM) is a computational approach that simulates agents' actions and interactions to evaluate how their behaviors influence the outcomes. However, the traditional implementation of ABM can be demanding and complex. Generative Agent-Based Modeling (GABM) offers a solution by enabling scholars to create simulations where AI-driven agents can generate complex behaviors based on underlying rules and interactions. This paper introduces a framework for designing reliable experiments using GABM, making sophisticated simulation techniques more accessible to researchers across various fields. We provide a step-by-step guide for selecting appropriate tools, designing the model, establishing experimentation protocols, and validating results.
Analysis on Riemann Hypothesis with Cross Entropy Optimization and Reasoning
In this paper, we present a novel framework for the analysis of Riemann Hypothesis [27], which is composed of three key components: a) probabilistic modeling with cross entropy optimization and reasoning; b) the application of the law of large numbers; c) the application of mathematical inductions. The analysis is mainly conducted by virtue of probabilistic modeling of cross entropy optimization and reasoning with rare event simulation techniques. The application of the law of large numbers [2, 3, 6] and the application of mathematical inductions make the analysis of Riemann Hypothesis self-contained and complete to make sure that the whole complex plane is covered as conjectured in Riemann Hypothesis. We also discuss the method of enhanced top-p sampling with large language models (LLMs) for reasoning, where next token prediction is not just based on the estimated probabilities of each possible token in the current round but also based on accumulated path probabilities among multiple top-k chain of thoughts (CoTs) paths. The probabilistic modeling of cross entropy optimization and reasoning may suit well with the analysis of Riemann Hypothesis as Riemann Zeta functions are inherently dealing with the sums of infinite components of a complex number series. We hope that our analysis in this paper could shed some light on some of the insights of Riemann Hypothesis. The framework and techniques presented in this paper, coupled with recent developments with chain of thought (CoT) or diagram of thought (DoT) reasoning in large language models (LLMs) with reinforcement learning (RL) [1, 7, 18, 21, 24, 34, 39-41], could pave the way for eventual proof of Riemann Hypothesis [27].
DexGarmentLab: Dexterous Garment Manipulation Environment with Generalizable Policy
Garment manipulation is a critical challenge due to the diversity in garment categories, geometries, and deformations. Despite this, humans can effortlessly handle garments, thanks to the dexterity of our hands. However, existing research in the field has struggled to replicate this level of dexterity, primarily hindered by the lack of realistic simulations of dexterous garment manipulation. Therefore, we propose DexGarmentLab, the first environment specifically designed for dexterous (especially bimanual) garment manipulation, which features large-scale high-quality 3D assets for 15 task scenarios, and refines simulation techniques tailored for garment modeling to reduce the sim-to-real gap. Previous data collection typically relies on teleoperation or training expert reinforcement learning (RL) policies, which are labor-intensive and inefficient. In this paper, we leverage garment structural correspondence to automatically generate a dataset with diverse trajectories using only a single expert demonstration, significantly reducing manual intervention. However, even extensive demonstrations cannot cover the infinite states of garments, which necessitates the exploration of new algorithms. To improve generalization across diverse garment shapes and deformations, we propose a Hierarchical gArment-manipuLation pOlicy (HALO). It first identifies transferable affordance points to accurately locate the manipulation area, then generates generalizable trajectories to complete the task. Through extensive experiments and detailed analysis of our method and baseline, we demonstrate that HALO consistently outperforms existing methods, successfully generalizing to previously unseen instances even with significant variations in shape and deformation where others fail. Our project page is available at: https://wayrise.github.io/DexGarmentLab/.
Mental Health Equity in LLMs: Leveraging Multi-Hop Question Answering to Detect Amplified and Silenced Perspectives
Large Language Models (LLMs) in mental healthcare risk propagating biases that reinforce stigma and harm marginalized groups. While previous research identified concerning trends, systematic methods for detecting intersectional biases remain limited. This work introduces a multi-hop question answering (MHQA) framework to explore LLM response biases in mental health discourse. We analyze content from the Interpretable Mental Health Instruction (IMHI) dataset across symptom presentation, coping mechanisms, and treatment approaches. Using systematic tagging across age, race, gender, and socioeconomic status, we investigate bias patterns at demographic intersections. We evaluate four LLMs: Claude 3.5 Sonnet, Jamba 1.6, Gemma 3, and Llama 4, revealing systematic disparities across sentiment, demographics, and mental health conditions. Our MHQA approach demonstrates superior detection compared to conventional methods, identifying amplification points where biases magnify through sequential reasoning. We implement two debiasing techniques: Roleplay Simulation and Explicit Bias Reduction, achieving 66-94% bias reductions through few-shot prompting with BBQ dataset examples. These findings highlight critical areas where LLMs reproduce mental healthcare biases, providing actionable insights for equitable AI development.
Drive&Gen: Co-Evaluating End-to-End Driving and Video Generation Models
Recent advances in generative models have sparked exciting new possibilities in the field of autonomous vehicles. Specifically, video generation models are now being explored as controllable virtual testing environments. Simultaneously, end-to-end (E2E) driving models have emerged as a streamlined alternative to conventional modular autonomous driving systems, gaining popularity for their simplicity and scalability. However, the application of these techniques to simulation and planning raises important questions. First, while video generation models can generate increasingly realistic videos, can these videos faithfully adhere to the specified conditions and be realistic enough for E2E autonomous planner evaluation? Second, given that data is crucial for understanding and controlling E2E planners, how can we gain deeper insights into their biases and improve their ability to generalize to out-of-distribution scenarios? In this work, we bridge the gap between the driving models and generative world models (Drive&Gen) to address these questions. We propose novel statistical measures leveraging E2E drivers to evaluate the realism of generated videos. By exploiting the controllability of the video generation model, we conduct targeted experiments to investigate distribution gaps affecting E2E planner performance. Finally, we show that synthetic data produced by the video generation model offers a cost-effective alternative to real-world data collection. This synthetic data effectively improves E2E model generalization beyond existing Operational Design Domains, facilitating the expansion of autonomous vehicle services into new operational contexts.
Robust Grasp Planning Over Uncertain Shape Completions
We present a method for planning robust grasps over uncertain shape completed objects. For shape completion, a deep neural network is trained to take a partial view of the object as input and outputs the completed shape as a voxel grid. The key part of the network is dropout layers which are enabled not only during training but also at run-time to generate a set of shape samples representing the shape uncertainty through Monte Carlo sampling. Given the set of shape completed objects, we generate grasp candidates on the mean object shape but evaluate them based on their joint performance in terms of analytical grasp metrics on all the shape candidates. We experimentally validate and benchmark our method against another state-of-the-art method with a Barrett hand on 90000 grasps in simulation and 200 grasps on a real Franka Emika Panda. All experimental results show statistically significant improvements both in terms of grasp quality metrics and grasp success rate, demonstrating that planning shape-uncertainty-aware grasps brings significant advantages over solely planning on a single shape estimate, especially when dealing with complex or unknown objects.
Reverse Ordering Techniques for Attention-Based Channel Prediction
This work aims to predict channels in wireless communication systems based on noisy observations, utilizing sequence-to-sequence models with attention (Seq2Seq-attn) and transformer models. Both models are adapted from natural language processing to tackle the complex challenge of channel prediction. Additionally, a new technique called reverse positional encoding is introduced in the transformer model to improve the robustness of the model against varying sequence lengths. Similarly, the encoder outputs of the Seq2Seq-attn model are reversed before applying attention. Simulation results demonstrate that the proposed ordering techniques allow the models to better capture the relationships between the channel snapshots within the sequence, irrespective of the sequence length, as opposed to existing methods.
Space and Time Continuous Physics Simulation From Partial Observations
Modern techniques for physical simulations rely on numerical schemes and mesh-refinement methods to address trade-offs between precision and complexity, but these handcrafted solutions are tedious and require high computational power. Data-driven methods based on large-scale machine learning promise high adaptivity by integrating long-range dependencies more directly and efficiently. In this work, we focus on fluid dynamics and address the shortcomings of a large part of the literature, which are based on fixed support for computations and predictions in the form of regular or irregular grids. We propose a novel setup to perform predictions in a continuous spatial and temporal domain while being trained on sparse observations. We formulate the task as a double observation problem and propose a solution with two interlinked dynamical systems defined on, respectively, the sparse positions and the continuous domain, which allows to forecast and interpolate a solution from the initial condition. Our practical implementation involves recurrent GNNs and a spatio-temporal attention observer capable of interpolating the solution at arbitrary locations. Our model not only generalizes to new initial conditions (as standard auto-regressive models do) but also performs evaluation at arbitrary space and time locations. We evaluate on three standard datasets in fluid dynamics and compare to strong baselines, which are outperformed both in classical settings and in the extended new task requiring continuous predictions.
The LHCb ultra-fast simulation option, Lamarr: design and validation
Detailed detector simulation is the major consumer of CPU resources at LHCb, having used more than 90% of the total computing budget during Run 2 of the Large Hadron Collider at CERN. As data is collected by the upgraded LHCb detector during Run 3 of the LHC, larger requests for simulated data samples are necessary, and will far exceed the pledged resources of the experiment, even with existing fast simulation options. An evolution of technologies and techniques to produce simulated samples is mandatory to meet the upcoming needs of analysis to interpret signal versus background and measure efficiencies. In this context, we propose Lamarr, a Gaudi-based framework designed to offer the fastest solution for the simulation of the LHCb detector. Lamarr consists of a pipeline of modules parameterizing both the detector response and the reconstruction algorithms of the LHCb experiment. Most of the parameterizations are made of Deep Generative Models and Gradient Boosted Decision Trees trained on simulated samples or alternatively, where possible, on real data. Embedding Lamarr in the general LHCb Gauss Simulation framework allows combining its execution with any of the available generators in a seamless way. Lamarr has been validated by comparing key reconstructed quantities with Detailed Simulation. Good agreement of the simulated distributions is obtained with two-order-of-magnitude speed-up of the simulation phase.
Re$^3$Sim: Generating High-Fidelity Simulation Data via 3D-Photorealistic Real-to-Sim for Robotic Manipulation
Real-world data collection for robotics is costly and resource-intensive, requiring skilled operators and expensive hardware. Simulations offer a scalable alternative but often fail to achieve sim-to-real generalization due to geometric and visual gaps. To address these challenges, we propose a 3D-photorealistic real-to-sim system, namely, RE^3SIM, addressing geometric and visual sim-to-real gaps. RE^3SIM employs advanced 3D reconstruction and neural rendering techniques to faithfully recreate real-world scenarios, enabling real-time rendering of simulated cross-view cameras within a physics-based simulator. By utilizing privileged information to collect expert demonstrations efficiently in simulation, and train robot policies with imitation learning, we validate the effectiveness of the real-to-sim-to-real pipeline across various manipulation task scenarios. Notably, with only simulated data, we can achieve zero-shot sim-to-real transfer with an average success rate exceeding 58%. To push the limit of real-to-sim, we further generate a large-scale simulation dataset, demonstrating how a robust policy can be built from simulation data that generalizes across various objects. Codes and demos are available at: http://xshenhan.github.io/Re3Sim/.
Digital Twin Brain: a simulation and assimilation platform for whole human brain
In this work, we present a computing platform named digital twin brain (DTB) that can simulate spiking neuronal networks of the whole human brain scale and more importantly, a personalized biological brain structure. In comparison to most brain simulations with a homogeneous global structure, we highlight that the sparseness, couplingness and heterogeneity in the sMRI, DTI and PET data of the brain has an essential impact on the efficiency of brain simulation, which is proved from the scaling experiments that the DTB of human brain simulation is communication-intensive and memory-access intensive computing systems rather than computation-intensive. We utilize a number of optimization techniques to balance and integrate the computation loads and communication traffics from the heterogeneous biological structure to the general GPU-based HPC and achieve leading simulation performance for the whole human brain-scaled spiking neuronal networks. On the other hand, the biological structure, equipped with a mesoscopic data assimilation, enables the DTB to investigate brain cognitive function by a reverse-engineering method, which is demonstrated by a digital experiment of visual evaluation on the DTB. Furthermore, we believe that the developing DTB will be a promising powerful platform for a large of research orients including brain-inspiredintelligence, rain disease medicine and brain-machine interface.
OceanSim: A GPU-Accelerated Underwater Robot Perception Simulation Framework
Underwater simulators offer support for building robust underwater perception solutions. Significant work has recently been done to develop new simulators and to advance the performance of existing underwater simulators. Still, there remains room for improvement on physics-based underwater sensor modeling and rendering efficiency. In this paper, we propose OceanSim, a high-fidelity GPU-accelerated underwater simulator to address this research gap. We propose advanced physics-based rendering techniques to reduce the sim-to-real gap for underwater image simulation. We develop OceanSim to fully leverage the computing advantages of GPUs and achieve real-time imaging sonar rendering and fast synthetic data generation. We evaluate the capabilities and realism of OceanSim using real-world data to provide qualitative and quantitative results. The code and detailed documentation are made available on the project website to support the marine robotics community: https://umfieldrobotics.github.io/OceanSim.
DialogueForge: LLM Simulation of Human-Chatbot Dialogue
Collecting human-chatbot dialogues typically demands substantial manual effort and is time-consuming, which limits and poses challenges for research on conversational AI. In this work, we propose DialogueForge - a framework for generating AI-simulated conversations in human-chatbot style. To initialize each generated conversation, DialogueForge uses seed prompts extracted from real human-chatbot interactions. We test a variety of LLMs to simulate the human chatbot user, ranging from state-of-the-art proprietary models to small-scale open-source LLMs, and generate multi-turn dialogues tailored to specific tasks. In addition, we explore fine-tuning techniques to enhance the ability of smaller models to produce indistinguishable human-like dialogues. We evaluate the quality of the simulated conversations and compare different models using the UniEval and GTEval evaluation protocols. Our experiments show that large proprietary models (e.g., GPT-4o) generally outperform others in generating more realistic dialogues, while smaller open-source models (e.g., Llama, Mistral) offer promising performance with greater customization. We demonstrate that the performance of smaller models can be significantly improved by employing supervised fine-tuning techniques. Nevertheless, maintaining coherent and natural long-form human-like dialogues remains a common challenge across all models.
LLM Agent-Based Simulation of Student Activities and Mental Health Using Smartphone Sensing Data
Students' mental well-being is vital for academic success, with activities such as studying, socializing, and sleeping playing a role. Current mobile sensing data highlight this intricate link using statistical and machine learning analyses. We propose a novel LLM agent-based simulation framework to model student activities and mental health using the StudentLife Dataset. Each LLM agent was initialized with personality questionnaires and guided by smartphone sensing data throughout the simulated semester. These agents predict individual behaviors, provide self-reported mental health data via ecological momentary assessments (EMAs), and complete follow-up personality questionnaires. To ensure accuracy, we investigated various prompting techniques, memory systems, and activity-based mental state management strategies that dynamically update an agent's mental state based on their daily activities. This simulation goes beyond simply replicating existing data. This allows us to explore new scenarios that are not present in the original dataset, such as peer influence through agent-to-agent interactions and the impact of social media. Furthermore, we can conduct intervention studies by manipulating activity patterns via sensing signals and personality traits using questionnaire responses. This provides valuable insights into the behavioral changes that could enhance student well-being. The framework also facilitates hypothetical interviews with LLM agents, offering deeper insights into their mental health. This study showcases the power of LLM-driven behavioral modeling with sensing data, opening new avenues for understanding and supporting student mental health.
Accelerating Computer Architecture Simulation through Machine Learning
This paper presents our approach to accelerate computer architecture simulation by leveraging machine learning techniques. Traditional computer architecture simulations are time-consuming, making it challenging to explore different design choices efficiently. Our proposed model utilizes a combination of application features and micro-architectural features to predict the performance of an application. These features are derived from simulations of a small portion of the application. We demonstrate the effectiveness of our approach by building and evaluating a machine learning model that offers significant speedup in architectural exploration. This model demonstrates the ability to predict IPC values for the testing data with a root mean square error of less than 0.1.
GPUDrive: Data-driven, multi-agent driving simulation at 1 million FPS
Multi-agent learning algorithms have been successful at generating superhuman planning in a wide variety of games but have had little impact on the design of deployed multi-agent planners. A key bottleneck in applying these techniques to multi-agent planning is that they require billions of steps of experience. To enable the study of multi-agent planning at this scale, we present GPUDrive, a GPU-accelerated, multi-agent simulator built on top of the Madrona Game Engine that can generate over a million steps of experience per second. Observation, reward, and dynamics functions are written directly in C++, allowing users to define complex, heterogeneous agent behaviors that are lowered to high-performance CUDA. We show that using GPUDrive we are able to effectively train reinforcement learning agents over many scenes in the Waymo Motion dataset, yielding highly effective goal-reaching agents in minutes for individual scenes and generally capable agents in a few hours. We ship these trained agents as part of the code base at https://github.com/Emerge-Lab/gpudrive.
Countering Malicious Content Moderation Evasion in Online Social Networks: Simulation and Detection of Word Camouflage
Content moderation is the process of screening and monitoring user-generated content online. It plays a crucial role in stopping content resulting from unacceptable behaviors such as hate speech, harassment, violence against specific groups, terrorism, racism, xenophobia, homophobia, or misogyny, to mention some few, in Online Social Platforms. These platforms make use of a plethora of tools to detect and manage malicious information; however, malicious actors also improve their skills, developing strategies to surpass these barriers and continuing to spread misleading information. Twisting and camouflaging keywords are among the most used techniques to evade platform content moderation systems. In response to this recent ongoing issue, this paper presents an innovative approach to address this linguistic trend in social networks through the simulation of different content evasion techniques and a multilingual Transformer model for content evasion detection. In this way, we share with the rest of the scientific community a multilingual public tool, named "pyleetspeak" to generate/simulate in a customizable way the phenomenon of content evasion through automatic word camouflage and a multilingual Named-Entity Recognition (NER) Transformer-based model tuned for its recognition and detection. The multilingual NER model is evaluated in different textual scenarios, detecting different types and mixtures of camouflage techniques, achieving an overall weighted F1 score of 0.8795. This article contributes significantly to countering malicious information by developing multilingual tools to simulate and detect new methods of evasion of content on social networks, making the fight against information disorders more effective.
NeoWorld: Neural Simulation of Explorable Virtual Worlds via Progressive 3D Unfolding
We introduce NeoWorld, a deep learning framework for generating interactive 3D virtual worlds from a single input image. Inspired by the on-demand worldbuilding concept in the science fiction novel Simulacron-3 (1964), our system constructs expansive environments where only the regions actively explored by the user are rendered with high visual realism through object-centric 3D representations. Unlike previous approaches that rely on global world generation or 2D hallucination, NeoWorld models key foreground objects in full 3D, while synthesizing backgrounds and non-interacted regions in 2D to ensure efficiency. This hybrid scene structure, implemented with cutting-edge representation learning and object-to-3D techniques, enables flexible viewpoint manipulation and physically plausible scene animation, allowing users to control object appearance and dynamics using natural language commands. As users interact with the environment, the virtual world progressively unfolds with increasing 3D detail, delivering a dynamic, immersive, and visually coherent exploration experience. NeoWorld significantly outperforms existing 2D and depth-layered 2.5D methods on the WorldScore benchmark.
Effective Noise-aware Data Simulation for Domain-adaptive Speech Enhancement Leveraging Dynamic Stochastic Perturbation
Cross-domain speech enhancement (SE) is often faced with severe challenges due to the scarcity of noise and background information in an unseen target domain, leading to a mismatch between training and test conditions. This study puts forward a novel data simulation method to address this issue, leveraging noise-extractive techniques and generative adversarial networks (GANs) with only limited target noisy speech data. Notably, our method employs a noise encoder to extract noise embeddings from target-domain data. These embeddings aptly guide the generator to synthesize utterances acoustically fitted to the target domain while authentically preserving the phonetic content of the input clean speech. Furthermore, we introduce the notion of dynamic stochastic perturbation, which can inject controlled perturbations into the noise embeddings during inference, thereby enabling the model to generalize well to unseen noise conditions. Experiments on the VoiceBank-DEMAND benchmark dataset demonstrate that our domain-adaptive SE method outperforms an existing strong baseline based on data simulation.
S$^3$: Social-network Simulation System with Large Language Model-Empowered Agents
Social network simulation plays a crucial role in addressing various challenges within social science. It offers extensive applications such as state prediction, phenomena explanation, and policy-making support, among others. In this work, we harness the formidable human-like capabilities exhibited by large language models (LLMs) in sensing, reasoning, and behaving, and utilize these qualities to construct the S^3 system (short for Social network Simulation System). Adhering to the widely employed agent-based simulation paradigm, we employ prompt engineering and prompt tuning techniques to ensure that the agent's behavior closely emulates that of a genuine human within the social network. Specifically, we simulate three pivotal aspects: emotion, attitude, and interaction behaviors. By endowing the agent in the system with the ability to perceive the informational environment and emulate human actions, we observe the emergence of population-level phenomena, including the propagation of information, attitudes, and emotions. We conduct an evaluation encompassing two levels of simulation, employing real-world social network data. Encouragingly, the results demonstrate promising accuracy. This work represents an initial step in the realm of social network simulation empowered by LLM-based agents. We anticipate that our endeavors will serve as a source of inspiration for the development of simulation systems within, but not limited to, social science.
Lamarr: LHCb ultra-fast simulation based on machine learning models deployed within Gauss
About 90% of the computing resources available to the LHCb experiment has been spent to produce simulated data samples for Run 2 of the Large Hadron Collider at CERN. The upgraded LHCb detector will be able to collect larger data samples, requiring many more simulated events to analyze the data to be collected in Run 3. Simulation is a key necessity of analysis to interpret signal, reject background and measure efficiencies. The needed simulation will far exceed the pledged resources, requiring an evolution in technologies and techniques to produce these simulated data samples. In this contribution, we discuss Lamarr, a Gaudi-based framework to speed-up the simulation production parameterizing both the detector response and the reconstruction algorithms of the LHCb experiment. Deep Generative Models powered by several algorithms and strategies are employed to effectively parameterize the high-level response of the single components of the LHCb detector, encoding within neural networks the experimental errors and uncertainties introduced in the detection and reconstruction phases. Where possible, models are trained directly on real data, statistically subtracting any background components by applying appropriate reweighing procedures. Embedding Lamarr in the general LHCb Gauss Simulation framework allows to combine its execution with any of the available generators in a seamless way. The resulting software package enables a simulation process independent of the detailed simulation used to date.
A Deep Reinforcement Learning-Based TCP Congestion Control Algorithm: Design, Simulation, and Evaluation
This paper presents a novel TCP congestion control algorithm based on Deep Reinforcement Learning. The proposed approach utilizes Deep Q-Networks to optimize the congestion window (cWnd) by observing key network parameters and taking real-time actions. The algorithm is trained and evaluated within the NS-3 network simulator using the OpenGym interface. The results demonstrate significant improvements over traditional TCP New Reno in terms of latency and throughput, with better adaptability to changing network conditions. This study emphasizes the potential of reinforcement learning techniques for solving complex congestion control problems in modern networks.
UBSoft: A Simulation Platform for Robotic Skill Learning in Unbounded Soft Environments
It is desired to equip robots with the capability of interacting with various soft materials as they are ubiquitous in the real world. While physics simulations are one of the predominant methods for data collection and robot training, simulating soft materials presents considerable challenges. Specifically, it is significantly more costly than simulating rigid objects in terms of simulation speed and storage requirements. These limitations typically restrict the scope of studies on soft materials to small and bounded areas, thereby hindering the learning of skills in broader spaces. To address this issue, we introduce UBSoft, a new simulation platform designed to support unbounded soft environments for robot skill acquisition. Our platform utilizes spatially adaptive resolution scales, where simulation resolution dynamically adjusts based on proximity to active robotic agents. Our framework markedly reduces the demand for extensive storage space and computation costs required for large-scale scenarios involving soft materials. We also establish a set of benchmark tasks in our platform, including both locomotion and manipulation tasks, and conduct experiments to evaluate the efficacy of various reinforcement learning algorithms and trajectory optimization techniques, both gradient-based and sampling-based. Preliminary results indicate that sampling-based trajectory optimization generally achieves better results for obtaining one trajectory to solve the task. Additionally, we conduct experiments in real-world environments to demonstrate that advancements made in our UBSoft simulator could translate to improved robot interactions with large-scale soft material. More videos can be found at https://vis-www.cs.umass.edu/ubsoft/.
Hybrid Quantum Generative Adversarial Networks for Molecular Simulation and Drug Discovery
In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.
Quantum circuit synthesis of Bell and GHZ states using projective simulation in the NISQ era
Quantum Computing has been evolving in the last years. Although nowadays quantum algorithms performance has shown superior to their classical counterparts, quantum decoherence and additional auxiliary qubits needed for error tolerance routines have been huge barriers for quantum algorithms efficient use. These restrictions lead us to search for ways to minimize algorithms costs, i.e the number of quantum logical gates and the depth of the circuit. For this, quantum circuit synthesis and quantum circuit optimization techniques are explored. We studied the viability of using Projective Simulation, a reinforcement learning technique, to tackle the problem of quantum circuit synthesis for noise quantum computers with limited number of qubits. The agent had the task of creating quantum circuits up to 5 qubits to generate GHZ states in the IBM Tenerife (IBM QX4) quantum processor. Our simulations demonstrated that the agent had a good performance but its capacity for learning new circuits decreased as the number of qubits increased.
Multi-StyleGAN: Towards Image-Based Simulation of Time-Lapse Live-Cell Microscopy
Time-lapse fluorescent microscopy (TLFM) combined with predictive mathematical modelling is a powerful tool to study the inherently dynamic processes of life on the single-cell level. Such experiments are costly, complex and labour intensive. A complimentary approach and a step towards in silico experimentation, is to synthesise the imagery itself. Here, we propose Multi-StyleGAN as a descriptive approach to simulate time-lapse fluorescence microscopy imagery of living cells, based on a past experiment. This novel generative adversarial network synthesises a multi-domain sequence of consecutive timesteps. We showcase Multi-StyleGAN on imagery of multiple live yeast cells in microstructured environments and train on a dataset recorded in our laboratory. The simulation captures underlying biophysical factors and time dependencies, such as cell morphology, growth, physical interactions, as well as the intensity of a fluorescent reporter protein. An immediate application is to generate additional training and validation data for feature extraction algorithms or to aid and expedite development of advanced experimental techniques such as online monitoring or control of cells. Code and dataset is available at https://git.rwth-aachen.de/bcs/projects/tp/multi-stylegan.
Hypernuclear event detection in the nuclear emulsion with Monte Carlo simulation and machine learning
This study developed a novel method for detecting hypernuclear events recorded in nuclear emulsion sheets using machine learning techniques. The artificial neural network-based object detection model was trained on surrogate images created through Monte Carlo simulations and image-style transformations using generative adversarial networks. The performance of the proposed model was evaluated using alpha-decay events obtained from the J-PARC E07 emulsion data. The model achieved approximately twice the detection efficiency of conventional image processing and reduced the time spent on manual visual inspection by approximately 1/17. The established method was successfully applied to the detection of hypernuclear events. This approach is a state-of-the-art tool for discovering rare events recorded in nuclear emulsion sheets without any real data for training.
Unbounded: A Generative Infinite Game of Character Life Simulation
We introduce the concept of a generative infinite game, a video game that transcends the traditional boundaries of finite, hard-coded systems by using generative models. Inspired by James P. Carse's distinction between finite and infinite games, we leverage recent advances in generative AI to create Unbounded: a game of character life simulation that is fully encapsulated in generative models. Specifically, Unbounded draws inspiration from sandbox life simulations and allows you to interact with your autonomous virtual character in a virtual world by feeding, playing with and guiding it - with open-ended mechanics generated by an LLM, some of which can be emergent. In order to develop Unbounded, we propose technical innovations in both the LLM and visual generation domains. Specifically, we present: (1) a specialized, distilled large language model (LLM) that dynamically generates game mechanics, narratives, and character interactions in real-time, and (2) a new dynamic regional image prompt Adapter (IP-Adapter) for vision models that ensures consistent yet flexible visual generation of a character across multiple environments. We evaluate our system through both qualitative and quantitative analysis, showing significant improvements in character life simulation, user instruction following, narrative coherence, and visual consistency for both characters and the environments compared to traditional related approaches.
A Procedural World Generation Framework for Systematic Evaluation of Continual Learning
Several families of continual learning techniques have been proposed to alleviate catastrophic interference in deep neural network training on non-stationary data. However, a comprehensive comparison and analysis of limitations remains largely open due to the inaccessibility to suitable datasets. Empirical examination not only varies immensely between individual works, it further currently relies on contrived composition of benchmarks through subdivision and concatenation of various prevalent static vision datasets. In this work, our goal is to bridge this gap by introducing a computer graphics simulation framework that repeatedly renders only upcoming urban scene fragments in an endless real-time procedural world generation process. At its core lies a modular parametric generative model with adaptable generative factors. The latter can be used to flexibly compose data streams, which significantly facilitates a detailed analysis and allows for effortless investigation of various continual learning schemes.
Channel-Aware Domain-Adaptive Generative Adversarial Network for Robust Speech Recognition
While pre-trained automatic speech recognition (ASR) systems demonstrate impressive performance on matched domains, their performance often degrades when confronted with channel mismatch stemming from unseen recording environments and conditions. To mitigate this issue, we propose a novel channel-aware data simulation method for robust ASR training. Our method harnesses the synergistic power of channel-extractive techniques and generative adversarial networks (GANs). We first train a channel encoder capable of extracting embeddings from arbitrary audio. On top of this, channel embeddings are extracted using a minimal amount of target-domain data and used to guide a GAN-based speech synthesizer. This synthesizer generates speech that faithfully preserves the phonetic content of the input while mimicking the channel characteristics of the target domain. We evaluate our method on the challenging Hakka Across Taiwan (HAT) and Taiwanese Across Taiwan (TAT) corpora, achieving relative character error rate (CER) reductions of 20.02% and 9.64%, respectively, compared to the baselines. These results highlight the efficacy of our channel-aware data simulation method for bridging the gap between source- and target-domain acoustics.
ASID: Active Exploration for System Identification in Robotic Manipulation
Model-free control strategies such as reinforcement learning have shown the ability to learn control strategies without requiring an accurate model or simulator of the world. While this is appealing due to the lack of modeling requirements, such methods can be sample inefficient, making them impractical in many real-world domains. On the other hand, model-based control techniques leveraging accurate simulators can circumvent these challenges and use a large amount of cheap simulation data to learn controllers that can effectively transfer to the real world. The challenge with such model-based techniques is the requirement for an extremely accurate simulation, requiring both the specification of appropriate simulation assets and physical parameters. This requires considerable human effort to design for every environment being considered. In this work, we propose a learning system that can leverage a small amount of real-world data to autonomously refine a simulation model and then plan an accurate control strategy that can be deployed in the real world. Our approach critically relies on utilizing an initial (possibly inaccurate) simulator to design effective exploration policies that, when deployed in the real world, collect high-quality data. We demonstrate the efficacy of this paradigm in identifying articulation, mass, and other physical parameters in several challenging robotic manipulation tasks, and illustrate that only a small amount of real-world data can allow for effective sim-to-real transfer. Project website at https://weirdlabuw.github.io/asid
Counterfactual Identifiability of Bijective Causal Models
We study counterfactual identifiability in causal models with bijective generation mechanisms (BGM), a class that generalizes several widely-used causal models in the literature. We establish their counterfactual identifiability for three common causal structures with unobserved confounding, and propose a practical learning method that casts learning a BGM as structured generative modeling. Learned BGMs enable efficient counterfactual estimation and can be obtained using a variety of deep conditional generative models. We evaluate our techniques in a visual task and demonstrate its application in a real-world video streaming simulation task.
Digital cloning of online social networks for language-sensitive agent-based modeling of misinformation spread
We develop a simulation framework for studying misinformation spread within online social networks that blends agent-based modeling and natural language processing techniques. While many other agent-based simulations exist in this space, questions over their fidelity and generalization to existing networks in part hinders their ability to provide actionable insights. To partially address these concerns, we create a 'digital clone' of a known misinformation sharing network by downloading social media histories for over ten thousand of its users. We parse these histories to both extract the structure of the network and model the nuanced ways in which information is shared and spread among its members. Unlike many other agent-based methods in this space, information sharing between users in our framework is sensitive to topic of discussion, user preferences, and online community dynamics. To evaluate the fidelity of our method, we seed our cloned network with a set of posts recorded in the base network and compare propagation dynamics between the two, observing reasonable agreement across the twin networks over a variety of metrics. Lastly, we explore how the cloned network may serve as a flexible, low-cost testbed for misinformation countermeasure evaluation and red teaming analysis. We hope the tools explored here augment existing efforts in the space and unlock new opportunities for misinformation countermeasure evaluation, a field that may become increasingly important to consider with the anticipated rise of misinformation campaigns fueled by generative artificial intelligence.
Demonstrating Wheeled Lab: Modern Sim2Real for Low-cost, Open-source Wheeled Robotics
Simulation has been pivotal in recent robotics milestones and is poised to play a prominent role in the field's future. However, recent robotic advances often rely on expensive and high-maintenance platforms, limiting access to broader robotics audiences. This work introduces Wheeled Lab, a framework for the low-cost, open-source wheeled platforms that are already widely established in education and research. Through integration with Isaac Lab, Wheeled Lab introduces modern techniques in Sim2Real, such as domain randomization, sensor simulation, and end-to-end learning, to new user communities. To kickstart education and demonstrate the framework's capabilities, we develop three state-of-the-art policies for small-scale RC cars: controlled drifting, elevation traversal, and visual navigation, each trained in simulation and deployed in the real world. By bridging the gap between advanced Sim2Real methods and affordable, available robotics, Wheeled Lab aims to democratize access to cutting-edge tools, fostering innovation and education in a broader robotics context. The full stack, from hardware to software, is low cost and open-source.
STORI: A Benchmark and Taxonomy for Stochastic Environments
Reinforcement learning (RL) techniques have achieved impressive performance on simulated benchmarks such as Atari100k, yet recent advances remain largely confined to simulation and show limited transfer to real-world domains. A central obstacle is environmental stochasticity, as real systems involve noisy observations, unpredictable dynamics, and non-stationary conditions that undermine the stability of current methods. Existing benchmarks rarely capture these uncertainties and favor simplified settings where algorithms can be tuned to succeed. The absence of a well-defined taxonomy of stochasticity further complicates evaluation, as robustness to one type of stochastic perturbation, such as sticky actions, does not guarantee robustness to other forms of uncertainty. To address this critical gap, we introduce STORI (STOchastic-ataRI), a benchmark that systematically incorporates diverse stochastic effects and enables rigorous evaluation of RL techniques under different forms of uncertainty. We propose a comprehensive five-type taxonomy of environmental stochasticity and demonstrate systematic vulnerabilities in state-of-the-art model-based RL algorithms through targeted evaluation of DreamerV3 and STORM. Our findings reveal that world models dramatically underestimate environmental variance, struggle with action corruption, and exhibit unreliable dynamics under partial observability. We release the code and benchmark publicly at https://github.com/ARY2260/stori, providing a unified framework for developing more robust RL systems.
Unbiased Learning to Rank Meets Reality: Lessons from Baidu's Large-Scale Search Dataset
Unbiased learning-to-rank (ULTR) is a well-established framework for learning from user clicks, which are often biased by the ranker collecting the data. While theoretically justified and extensively tested in simulation, ULTR techniques lack empirical validation, especially on modern search engines. The dataset released for the WSDM Cup 2023, collected from Baidu's search engine, offers a rare opportunity to assess the real-world performance of prominent ULTR techniques. Despite multiple submissions during the WSDM Cup 2023 and the subsequent NTCIR ULTRE-2 task, it remains unclear whether the observed improvements stem from applying ULTR or other learning techniques. We revisit and extend the available experiments. We find that unbiased learning-to-rank techniques do not bring clear performance improvements, especially compared to the stark differences brought by the choice of ranking loss and query-document features. Our experiments reveal that ULTR robustly improves click prediction. However, these gains in click prediction do not translate to enhanced ranking performance on expert relevance annotations, implying that conclusions strongly depend on how success is measured in this benchmark.
Training Machine Learning models at the Edge: A Survey
Edge Computing (EC) has gained significant traction in recent years, promising enhanced efficiency by integrating Artificial Intelligence (AI) capabilities at the edge. While the focus has primarily been on the deployment and inference of Machine Learning (ML) models at the edge, the training aspect remains less explored. This survey delves into Edge Learning (EL), specifically the optimization of ML model training at the edge. The objective is to comprehensively explore diverse approaches and methodologies in EL, synthesize existing knowledge, identify challenges, and highlight future trends. Utilizing Scopus' advanced search, relevant literature on EL was identified, revealing a concentration of research efforts in distributed learning methods, particularly Federated Learning (FL). This survey further provides a guideline for comparing techniques used to optimize ML for edge learning, along with an exploration of different frameworks, libraries, and simulation tools available for EL. In doing so, the paper contributes to a holistic understanding of the current landscape and future directions in the intersection of edge computing and machine learning, paving the way for informed comparisons between optimization methods and techniques designed for edge learning.
An Image-Based Path Planning Algorithm Using a UAV Equipped with Stereo Vision
This paper presents a novel image-based path planning algorithm that was developed using computer vision techniques, as well as its comparative analysis with well-known deterministic and probabilistic algorithms, namely A* and Probabilistic Road Map algorithm (PRM). The terrain depth has a significant impact on the calculated path safety. The craters and hills on the surface cannot be distinguished in a two-dimensional image. The proposed method uses a disparity map of the terrain that is generated by using a UAV. Several computer vision techniques, including edge, line and corner detection methods, as well as the stereo depth reconstruction technique, are applied to the captured images and the found disparity map is used to define candidate way-points of the trajectory. The initial and desired points are detected automatically using ArUco marker pose estimation and circle detection techniques. After presenting the mathematical model and vision techniques, the developed algorithm is compared with well-known algorithms on different virtual scenes created in the V-REP simulation program and a physical setup created in a laboratory environment. Results are promising and demonstrate effectiveness of the proposed algorithm.
What Determines the Brightness of the Magnetically Open Solar Corona?: Insights from Three-dimensional Radiative Magnetohydrodynamic Simulations and Observations
We investigate the relationship between solar coronal holes and open-field regions using three-dimensional radiative magnetohydrodynamic (MHD) simulations combined with remote-sensing observations from the Solar Dynamics Observatory (SDO). Our numerical simulations reveal that magnetically open regions in the corona can exhibit brightness comparable to quiet regions, challenging the conventional view that open-field regions are inherently dark coronal holes. We find that the coronal brightness is primarily determined by the total energy input from photospheric magnetic activities, such as the small-scale dynamo, rather than differences in dissipative processes within the corona. Using synthesized EUV intensity maps, we show that brightness thresholds commonly used to identify coronal holes may overlook open-field regions, especially at lower spatial resolutions. Observational analysis utilizing SDO/HMI and AIA synoptic maps supports our simulation results, demonstrating that magnetic field extrapolation techniques, such as the Potential Field Source Surface (PFSS) model, are sensitive to the chosen parameters, including the source surface height. We suggest that discrepancies in estimates of open magnetic flux (the ``open flux problem'') arise both from the modeling assumptions in coronal magnetic field extrapolation and systematic biases in solar surface magnetic field observations. Our findings indicate the need for reconsidering criteria used to identify coronal holes as indicators of open-field regions to better characterize the solar open magnetic flux.
Multivariate outlier detection based on a robust Mahalanobis distance with shrinkage estimators
A collection of robust Mahalanobis distances for multivariate outlier detection is proposed, based on the notion of shrinkage. Robust intensity and scaling factors are optimally estimated to define the shrinkage. Some properties are investigated, such as affine equivariance and breakdown value. The performance of the proposal is illustrated through the comparison to other techniques from the literature, in a simulation study and with a real dataset. The behavior when the underlying distribution is heavy-tailed or skewed, shows the appropriateness of the method when we deviate from the common assumption of normality. The resulting high correct detection rates and low false detection rates in the vast majority of cases, as well as the significantly smaller computation time shows the advantages of our proposal.
Simulated Ensemble Attack: Transferring Jailbreaks Across Fine-tuned Vision-Language Models
Fine-tuning open-source Vision-Language Models (VLMs) creates a critical yet underexplored attack surface: vulnerabilities in the base VLM could be retained in fine-tuned variants, rendering them susceptible to transferable jailbreak attacks. To demonstrate this risk, we introduce the Simulated Ensemble Attack (SEA), a novel grey-box jailbreak method in which the adversary has full access to the base VLM but no knowledge of the fine-tuned target's weights or training configuration. To improve jailbreak transferability across fine-tuned VLMs, SEA combines two key techniques: Fine-tuning Trajectory Simulation (FTS) and Targeted Prompt Guidance (TPG). FTS generates transferable adversarial images by simulating the vision encoder's parameter shifts, while TPG is a textual strategy that steers the language decoder toward adversarially optimized outputs. Experiments on the Qwen2-VL family (2B and 7B) demonstrate that SEA achieves high transfer attack success rates exceeding 86.5% and toxicity rates near 49.5% across diverse fine-tuned variants, even those specifically fine-tuned to improve safety behaviors. Notably, while direct PGD-based image jailbreaks rarely transfer across fine-tuned VLMs, SEA reliably exploits inherited vulnerabilities from the base model, significantly enhancing transferability. These findings highlight an urgent need to safeguard fine-tuned proprietary VLMs against transferable vulnerabilities inherited from open-source foundations, motivating the development of holistic defenses across the entire model lifecycle.
ZipGAN: Super-Resolution-based Generative Adversarial Network Framework for Data Compression of Direct Numerical Simulations
The advancement of high-performance computing has enabled the generation of large direct numerical simulation (DNS) datasets of turbulent flows, driving the need for efficient compression/decompression techniques that reduce storage demands while maintaining fidelity. Traditional methods, such as the discrete wavelet transform, cannot achieve compression ratios of 8 or higher for complex turbulent flows without introducing significant encoding/decoding errors. On the other hand, a super-resolution-based generative adversarial network (SR-GAN), called ZipGAN, can accurately reconstruct fine-scale features, preserving velocity gradients and structural details, even at a compression ratio of 512, thanks to the more efficient representation of the data in compact latent space. Additional benefits are ascribed to adversarial training. The high GAN training time is significantly reduced with a progressive transfer learning approach and, once trained, they can be applied independently of the Reynolds number. It is demonstrated that ZipGAN can enhance dataset temporal resolution without additional simulation overhead by generating high-quality intermediate fields from compressed snapshots. The ZipGAN discriminator can reliably evaluate the quality of decoded fields, ensuring fidelity even in the absence of original DNS fields. Hence, ZipGAN compression/decompression method presents a highly efficient and scalable alternative for large-scale DNS storage and transfer, offering substantial advantages over the DWT methods in terms of compression efficiency, reconstruction fidelity, and temporal resolution enhancement.
HiFi-HARP: A High-Fidelity 7th-Order Ambisonic Room Impulse Response Dataset
We introduce HiFi-HARP, a large-scale dataset of 7th-order Higher-Order Ambisonic Room Impulse Responses (HOA-RIRs) consisting of more than 100,000 RIRs generated via a hybrid acoustic simulation in realistic indoor scenes. HiFi-HARP combines geometrically complex, furnished room models from the 3D-FRONT repository with a hybrid simulation pipeline: low-frequency wave-based simulation (finite-difference time-domain) up to 900 Hz is used, while high frequencies above 900 Hz are simulated using a ray-tracing approach. The combined raw RIRs are encoded into the spherical-harmonic domain (AmbiX ACN) for direct auralization. Our dataset extends prior work by providing 7th-order Ambisonic RIRs that combine wave-theoretic accuracy with realistic room content. We detail the generation pipeline (scene and material selection, array design, hybrid simulation, ambisonic encoding) and provide dataset statistics (room volumes, RT60 distributions, absorption properties). A comparison table highlights the novelty of HiFi-HARP relative to existing RIR collections. Finally, we outline potential benchmarks such as FOA-to-HOA upsampling, source localization, and dereverberation. We discuss machine learning use cases (spatial audio rendering, acoustic parameter estimation) and limitations (e.g., simulation approximations, static scenes). Overall, HiFi-HARP offers a rich resource for developing spatial audio and acoustics algorithms in complex environments.
PGC: Physics-Based Gaussian Cloth from a Single Pose
We introduce a novel approach to reconstruct simulation-ready garments with intricate appearance. Despite recent advancements, existing methods often struggle to balance the need for accurate garment reconstruction with the ability to generalize to new poses and body shapes or require large amounts of data to achieve this. In contrast, our method only requires a multi-view capture of a single static frame. We represent garments as hybrid mesh-embedded 3D Gaussian splats, where the Gaussians capture near-field shading and high-frequency details, while the mesh encodes far-field albedo and optimized reflectance parameters. We achieve novel pose generalization by exploiting the mesh from our hybrid approach, enabling physics-based simulation and surface rendering techniques, while also capturing fine details with Gaussians that accurately reconstruct garment details. Our optimized garments can be used for simulating garments on novel poses, and garment relighting. Project page: https://phys-gaussian-cloth.github.io .
Quantum circuit synthesis with diffusion models
Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.
Evaluating Graph Vulnerability and Robustness using TIGER
Network robustness plays a crucial role in our understanding of complex interconnected systems such as transportation, communication, and computer networks. While significant research has been conducted in the area of network robustness, no comprehensive open-source toolbox currently exists to assist researchers and practitioners in this important topic. This lack of available tools hinders reproducibility and examination of existing work, development of new research, and dissemination of new ideas. We contribute TIGER, an open-sourced Python toolbox to address these challenges. TIGER contains 22 graph robustness measures with both original and fast approximate versions; 17 failure and attack strategies; 15 heuristic and optimization-based defense techniques; and 4 simulation tools. By democratizing the tools required to study network robustness, our goal is to assist researchers and practitioners in analyzing their own networks; and facilitate the development of new research in the field. TIGER has been integrated into the Nvidia Data Science Teaching Kit available to educators across the world; and Georgia Tech's Data and Visual Analytics class with over 1,000 students. TIGER is open sourced at: https://github.com/safreita1/TIGER
A Review of NEST Models for Liquid Xenon and Exhaustive Comparison to Other Approaches
This paper will discuss the microphysical simulation of interactions in liquid xenon, the active detector medium in many leading rare-event searches for new physics, and describe experimental observables useful for understanding detector performance. The scintillation and ionization yield distributions for signal and background will be presented using the Noble Element Simulation Technique (NEST), which is a toolkit based on experimental data and simple, empirical formulae, which mimic previous microphysics modeling, but are guided by data. The NEST models for light and charge production as a function of the particle type, energy, and electric field will be reviewed, as well as models for energy resolution and final pulse areas. NEST will be compared to other models or sets of models, and vetted against real data, with several specific examples pulled from XENON, ZEPLIN, LUX, LZ, PandaX, and table-top experiments used for calibrations.
Property-Aware Multi-Speaker Data Simulation: A Probabilistic Modelling Technique for Synthetic Data Generation
We introduce a sophisticated multi-speaker speech data simulator, specifically engineered to generate multi-speaker speech recordings. A notable feature of this simulator is its capacity to modulate the distribution of silence and overlap via the adjustment of statistical parameters. This capability offers a tailored training environment for developing neural models suited for speaker diarization and voice activity detection. The acquisition of substantial datasets for speaker diarization often presents a significant challenge, particularly in multi-speaker scenarios. Furthermore, the precise time stamp annotation of speech data is a critical factor for training both speaker diarization and voice activity detection. Our proposed multi-speaker simulator tackles these problems by generating large-scale audio mixtures that maintain statistical properties closely aligned with the input parameters. We demonstrate that the proposed multi-speaker simulator generates audio mixtures with statistical properties that closely align with the input parameters derived from real-world statistics. Additionally, we present the effectiveness of speaker diarization and voice activity detection models, which have been trained exclusively on the generated simulated datasets.
Learning large scale industrial physics simulations
In an industrial group like Safran, numerical simulations of physical phenomena are integral to most design processes. At Safran's corporate research center, we enhance these processes by developing fast and reliable surrogate models for various physics. We focus here on two technologies developed in recent years. The first is a physical reduced-order modeling method for non-linear structural mechanics and thermal analysis, used for calculating the lifespan of high-pressure turbine blades and performing heat analysis of high-pressure compressors. The second technology involves learning physics simulations with non-parameterized geometrical variability using classical machine learning tools, such as Gaussian process regression. Finally, we present our contributions to the open-source and open-data community.
FairTTTS: A Tree Test Time Simulation Method for Fairness-Aware Classification
Algorithmic decision-making has become deeply ingrained in many domains, yet biases in machine learning models can still produce discriminatory outcomes, often harming unprivileged groups. Achieving fair classification is inherently challenging, requiring a careful balance between predictive performance and ethical considerations. We present FairTTTS, a novel post-processing bias mitigation method inspired by the Tree Test Time Simulation (TTTS) method. Originally developed to enhance accuracy and robustness against adversarial inputs through probabilistic decision-path adjustments, TTTS serves as the foundation for FairTTTS. By building on this accuracy-enhancing technique, FairTTTS mitigates bias and improves predictive performance. FairTTTS uses a distance-based heuristic to adjust decisions at protected attribute nodes, ensuring fairness for unprivileged samples. This fairness-oriented adjustment occurs as a post-processing step, allowing FairTTTS to be applied to pre-trained models, diverse datasets, and various fairness metrics without retraining. Extensive evaluation on seven benchmark datasets shows that FairTTTS outperforms traditional methods in fairness improvement, achieving a 20.96% average increase over the baseline compared to 18.78% for related work, and further enhances accuracy by 0.55%. In contrast, competing methods typically reduce accuracy by 0.42%. These results confirm that FairTTTS effectively promotes more equitable decision-making while simultaneously improving predictive performance.
Differentiable Simulations for Enhanced Sampling of Rare Events
Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically chosen collective variables (CVs). We propose using differentiable simulations (DiffSim) for the discovery and enhanced sampling of chemical transformations without a need to resort to preselected CVs, using only a distance metric. Reaction path discovery and estimation of the biasing potential that enhances the sampling are merged into a single end-to-end problem that is solved by path-integral optimization. This is achieved by introducing multiple improvements over standard DiffSim such as partial backpropagation and graph mini-batching making DiffSim training stable and efficient. The potential of DiffSim is demonstrated in the successful discovery of transition paths for the Muller-Brown model potential as well as a benchmark chemical system - alanine dipeptide.
PC-SRGAN: Physically Consistent Super-Resolution Generative Adversarial Network for General Transient Simulations
Machine Learning, particularly Generative Adversarial Networks (GANs), has revolutionised Super Resolution (SR). However, generated images often lack physical meaningfulness, which is essential for scientific applications. Our approach, PC-SRGAN, enhances image resolution while ensuring physical consistency for interpretable simulations. PC-SRGAN significantly improves both the Peak Signal-to-Noise Ratio and the Structural Similarity Index Measure compared to conventional methods, even with limited training data (e.g., only 13% of training data required for SRGAN). Beyond SR, PC-SRGAN augments physically meaningful machine learning, incorporating numerically justified time integrators and advanced quality metrics. These advancements promise reliable and causal machine-learning models in scientific domains. A significant advantage of PC-SRGAN over conventional SR techniques is its physical consistency, which makes it a viable surrogate model for time-dependent problems. PC-SRGAN advances scientific machine learning, offering improved accuracy and efficiency for image processing, enhanced process understanding, and broader applications to scientific research. We publicly release the complete source code at https://github.com/hasan-rakibul/PC-SRGAN.
GASP: Gaussian Splatting for Physic-Based Simulations
Physics simulation is paramount for modeling and utilizing 3D scenes in various real-world applications. However, integrating with state-of-the-art 3D scene rendering techniques such as Gaussian Splatting (GS) remains challenging. Existing models use additional meshing mechanisms, including triangle or tetrahedron meshing, marching cubes, or cage meshes. Alternatively, we can modify the physics-grounded Newtonian dynamics to align with 3D Gaussian components. Current models take the first-order approximation of a deformation map, which locally approximates the dynamics by linear transformations. In contrast, our GS for Physics-Based Simulations (GASP) pipeline uses parametrized flat Gaussian distributions. Consequently, the problem of modeling Gaussian components using the physics engine is reduced to working with 3D points. In our work, we present additional rules for manipulating Gaussians, demonstrating how to adapt the pipeline to incorporate meshes, control Gaussian sizes during simulations, and enhance simulation efficiency. This is achieved through the Gaussian grouping strategy, which implements hierarchical structuring and enables simulations to be performed exclusively on selected Gaussians. The resulting solution can be integrated into any physics engine that can be treated as a black box. As demonstrated in our studies, the proposed pipeline exhibits superior performance on a diverse range of benchmark datasets designed for 3D object rendering. The project webpage, which includes additional visualizations, can be found at https://waczjoan.github.io/GASP.
Domain Randomization for Transferring Deep Neural Networks from Simulation to the Real World
Bridging the 'reality gap' that separates simulated robotics from experiments on hardware could accelerate robotic research through improved data availability. This paper explores domain randomization, a simple technique for training models on simulated images that transfer to real images by randomizing rendering in the simulator. With enough variability in the simulator, the real world may appear to the model as just another variation. We focus on the task of object localization, which is a stepping stone to general robotic manipulation skills. We find that it is possible to train a real-world object detector that is accurate to 1.5cm and robust to distractors and partial occlusions using only data from a simulator with non-realistic random textures. To demonstrate the capabilities of our detectors, we show they can be used to perform grasping in a cluttered environment. To our knowledge, this is the first successful transfer of a deep neural network trained only on simulated RGB images (without pre-training on real images) to the real world for the purpose of robotic control.
Systematic Biases in LLM Simulations of Debates
Recent advancements in natural language processing, especially the emergence of Large Language Models (LLMs), have opened exciting possibilities for constructing computational simulations designed to replicate human behavior accurately. However, LLMs are complex statistical learners without straightforward deductive rules, making them prone to unexpected behaviors. In this study, we highlight the limitations of LLMs in simulating human interactions, particularly focusing on LLMs' ability to simulate political debates. Our findings indicate a tendency for LLM agents to conform to the model's inherent social biases despite being directed to debate from certain political perspectives. This tendency results in behavioral patterns that seem to deviate from well-established social dynamics among humans. We reinforce these observations using an automatic self-fine-tuning method, which enables us to manipulate the biases within the LLM and demonstrate that agents subsequently align with the altered biases. These results underscore the need for further research to develop methods that help agents overcome these biases, a critical step toward creating more realistic simulations.
Multi-Agent Stock Prediction Systems: Machine Learning Models, Simulations, and Real-Time Trading Strategies
This paper presents a comprehensive study on stock price prediction, leveragingadvanced machine learning (ML) and deep learning (DL) techniques to improve financial forecasting accuracy. The research evaluates the performance of various recurrent neural network (RNN) architectures, including Long Short-Term Memory (LSTM) networks, Gated Recurrent Units (GRU), and attention-based models. These models are assessed for their ability to capture complex temporal dependencies inherent in stock market data. Our findings show that attention-based models outperform other architectures, achieving the highest accuracy by capturing both short and long-term dependencies. This study contributes valuable insights into AI-driven financial forecasting, offering practical guidance for developing more accurate and efficient trading systems.
d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations
Structural analyses are an integral part of computational research on nucleation and supercooled water, whose accuracy and efficiency can impact the validity and feasibility of such studies. The underlying molecular mechanisms of these often elusive and computationally expensive processes can be inferred from the evolution of ice-like structures, determined using appropriate structural analysis techniques. We present d-SEAMS, a free and open-source post-processing engine for the analysis of molecular dynamics trajectories, which is specifically able to qualitatively classify ice structures, in both strong confinement and bulk systems. For the first time, recent algorithms for confined ice structure determination have been implemented, along with topological network criteria for bulk ice structure determination. Recognizing the need for customization in structural analysis, d-SEAMS has a unique code architecture, built with `nix`, employing a `YAML`-`Lua` scripting pipeline. The software has been designed to be user-friendly and easy to extend. The engine outputs are compatible with popular graphics software suites, allowing for immediate visual insights into the systems studied. We demonstrate the features of d-SEAMS by using it to analyze nucleation in the bulk regime and for quasi-one and quasi-two-dimensional systems. Structural time evolution and quantitative metrics are determined for heterogenous ice nucleation on a silver-exposed beta-AgI surface, homogenous ice nucleation, flat monolayer square ice formation and freezing of an ice nanotube.
Are NeRFs ready for autonomous driving? Towards closing the real-to-simulation gap
Neural Radiance Fields (NeRFs) have emerged as promising tools for advancing autonomous driving (AD) research, offering scalable closed-loop simulation and data augmentation capabilities. However, to trust the results achieved in simulation, one needs to ensure that AD systems perceive real and rendered data in the same way. Although the performance of rendering methods is increasing, many scenarios will remain inherently challenging to reconstruct faithfully. To this end, we propose a novel perspective for addressing the real-to-simulated data gap. Rather than solely focusing on improving rendering fidelity, we explore simple yet effective methods to enhance perception model robustness to NeRF artifacts without compromising performance on real data. Moreover, we conduct the first large-scale investigation into the real-to-simulated data gap in an AD setting using a state-of-the-art neural rendering technique. Specifically, we evaluate object detectors and an online mapping model on real and simulated data, and study the effects of different fine-tuning strategies.Our results show notable improvements in model robustness to simulated data, even improving real-world performance in some cases. Last, we delve into the correlation between the real-to-simulated gap and image reconstruction metrics, identifying FID and LPIPS as strong indicators. See https://research.zenseact.com/publications/closing-real2sim-gap for our project page.
Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics
Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with timesteps on the order of femtoseconds (1fs=10^{-15}s). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of 10^{5} - 10^{6}:fs. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids) at all-atom resolution, exploring their metastable states and providing wall-clock acceleration of sampling compared to standard MD. Our method constitutes an important step towards general, transferable algorithms for accelerating MD.
Approximating Poker Probabilities with Deep Learning
Many poker systems, whether created with heuristics or machine learning, rely on the probability of winning as a key input. However calculating the precise probability using combinatorics is an intractable problem, so instead we approximate it. Monte Carlo simulation is an effective technique that can be used to approximate the probability that a player will win and/or tie a hand. However, without the use of a memory-intensive lookup table or a supercomputer, it becomes infeasible to run millions of times when training an agent with self-play. To combat the space-time tradeoff, we use deep learning to approximate the probabilities obtained from the Monte Carlo simulation with high accuracy. The learned model proves to be a lightweight alternative to Monte Carlo simulation, which ultimately allows us to use the probabilities as inputs during self-play efficiently. The source code and optimized neural network can be found at https://github.com/brandinho/Poker-Probability-Approximation
Continuous Diffusion Model for Language Modeling
Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. Yet diffusion models that directly work on discrete data space do not fully exploit the power of iterative refinement, as the signals are lost during the transition between discrete states. Existing continuous diffusion models for discrete data have limited performance compared to discrete approaches, and the unclear link between them restricts the development of diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on the analogy, we introduce a simple design for the diffusion process that generalizes previous discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry and a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. Codes available at https://github.com/harryjo97/RDLM{https://github.com/harryjo97/RDLM}.
Linear Attention with Global Context: A Multipole Attention Mechanism for Vision and Physics
Transformers have become the de facto standard for a wide range of tasks, from image classification to physics simulations. Despite their impressive performance, the quadratic complexity of standard Transformers in both memory and time with respect to the input length makes them impractical for processing high-resolution inputs. Therefore, several variants have been proposed, the most successful relying on patchification, downsampling, or coarsening techniques, often at the cost of losing the finest-scale details. In this work, we take a different approach. Inspired by state-of-the-art techniques in n-body numerical simulations, we cast attention as an interaction problem between grid points. We introduce the Multipole Attention Neural Operator (MANO), which computes attention in a distance-based multiscale fashion. MANO maintains, in each attention head, a global receptive field and achieves linear time and memory complexity with respect to the number of grid points. Empirical results on image classification and Darcy flows demonstrate that MANO rivals state-of-the-art models such as ViT and Swin Transformer, while reducing runtime and peak memory usage by orders of magnitude. We open source our code for reproducibility at https://github.com/AlexColagrande/MANO.
Exploiting Movable Logical Qubits for Lattice Surgery Compilation
Lattice surgery with two-dimensional quantum error correcting codes is among the leading schemes for fault-tolerant quantum computation, motivated by superconducting hardware architectures. In conventional lattice surgery compilation schemes, logical circuits are compiled following a place-and-route paradigm, where logical qubits remain statically fixed in space throughout the computation. In this work, we introduce a paradigm shift by exploiting movable logical qubits via teleportation during the logical lattice surgery CNOT gate. Focusing on lattice surgery with the color code, we propose a proof-of-concept compilation scheme that leverages this capability. Numerical simulations show that the proposed approach can substantially reduce the routed circuit depth compared to standard place-and-route compilation techniques. Our results demonstrate that optimizations based on movable logical qubits are not limited to architectures with physically movable qubits, such as neutral atoms or trapped ions - they are also readily applicable to superconducting quantum hardware. An open-source implementation of our method is available on GitHub https://github.com/munich-quantum-toolkit/qecc.
LEAP Hand: Low-Cost, Efficient, and Anthropomorphic Hand for Robot Learning
Dexterous manipulation has been a long-standing challenge in robotics. While machine learning techniques have shown some promise, results have largely been currently limited to simulation. This can be mostly attributed to the lack of suitable hardware. In this paper, we present LEAP Hand, a low-cost dexterous and anthropomorphic hand for machine learning research. In contrast to previous hands, LEAP Hand has a novel kinematic structure that allows maximal dexterity regardless of finger pose. LEAP Hand is low-cost and can be assembled in 4 hours at a cost of 2000 USD from readily available parts. It is capable of consistently exerting large torques over long durations of time. We show that LEAP Hand can be used to perform several manipulation tasks in the real world -- from visual teleoperation to learning from passive video data and sim2real. LEAP Hand significantly outperforms its closest competitor Allegro Hand in all our experiments while being 1/8th of the cost. We release detailed assembly instructions, the Sim2Real pipeline and a development platform with useful APIs on our website at https://leap-hand.github.io/
A likelihood approach to nonparametric estimation of a singular distribution using deep generative models
We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.
D-CODE: Data Colony Optimization for Dynamic Network Efficiency
The paper introduces D-CODE, a new framework blending Data Colony Optimization (DCO) algorithms inspired by biological colonies' collective behaviours with Dynamic Efficiency (DE) models for real-time adaptation. DCO utilizes metaheuristic strategies from ant colonies, bee swarms, and fungal networks to efficiently explore complex data landscapes, while DE enables continuous resource recalibration and process adjustments for optimal performance amidst changing conditions. Through a mixed-methods approach involving simulations and case studies, D-CODE outperforms traditional techniques, showing improvements of 3-4% in solution quality, 2-3 times faster convergence rates, and up to 25% higher computational efficiency. The integration of DCO's robust optimization and DE's dynamic responsiveness positions D-CODE as a transformative paradigm for intelligent systems design, with potential applications in operational efficiency, decision support, and computational intelligence, supported by empirical validation and promising outcomes.
Learning Collective Variables for Protein Folding with Labeled Data Augmentation through Geodesic Interpolation
In molecular dynamics (MD) simulations, rare events, such as protein folding, are typically studied by means of enhanced sampling techniques, most of which rely on the definition of a collective variable (CV) along which the acceleration occurs. Obtaining an expressive CV is crucial, but often hindered by the lack of information about the particular event, e.g., the transition from unfolded to folded conformation. We propose a simulation-free data augmentation strategy using physics-inspired metrics to generate geodesic interpolations resembling protein folding transitions, thereby improving sampling efficiency without true transition state samples. Leveraging interpolation progress parameters, we introduce a regression-based learning scheme for CV models, which outperforms classifier-based methods when transition state data is limited and noisy
Enhancing Quantum Variational Algorithms with Zero Noise Extrapolation via Neural Networks
In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the ubiquitous presence of noise in quantum devices often limits the accuracy and reliability of VQE outcomes. This research introduces a novel approach to ameliorate this challenge by utilizing neural networks for zero noise extrapolation (ZNE) in VQE computations. By employing the Qiskit framework, we crafted parameterized quantum circuits using the RY-RZ ansatz and examined their behavior under varying levels of depolarizing noise. Our investigations spanned from determining the expectation values of a Hamiltonian, defined as a tensor product of Z operators, under different noise intensities to extracting the ground state energy. To bridge the observed outcomes under noise with the ideal noise-free scenario, we trained a Feed Forward Neural Network on the error probabilities and their associated expectation values. Remarkably, our model proficiently predicted the VQE outcome under hypothetical noise-free conditions. By juxtaposing the simulation results with real quantum device executions, we unveiled the discrepancies induced by noise and showcased the efficacy of our neural network-based ZNE technique in rectifying them. This integrative approach not only paves the way for enhanced accuracy in VQE computations on NISQ devices but also underlines the immense potential of hybrid quantum-classical paradigms in circumventing the challenges posed by quantum noise. Through this research, we envision a future where quantum algorithms can be reliably executed on noisy devices, bringing us one step closer to realizing the full potential of quantum computing.
OL-Transformer: A Fast and Universal Surrogate Simulator for Optical Multilayer Thin Film Structures
Deep learning-based methods have recently been established as fast and accurate surrogate simulators for optical multilayer thin film structures. However, existing methods only work for limited types of structures with different material arrangements, preventing their applications towards diverse and universal structures. Here, we propose the Opto-Layer (OL) Transformer to act as a universal surrogate simulator for enormous types of structures. Combined with the technique of structure serialization, our model can predict accurate reflection and transmission spectra for up to 10^{25} different multilayer structures, while still achieving a six-fold degradation in simulation time compared to physical solvers. Further investigation reveals that the general learning ability comes from the fact that our model first learns the physical embeddings and then uses the self-attention mechanism to capture the hidden relationship of light-matter interaction between each layer.
Improving and generalizing flow-based generative models with minibatch optimal transport
Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their simulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.
Lagrangian Coherent Track Initialisation (LCTI)
Advances in time-resolved Particle Tracking Velocimetry (4D-PTV) techniques have been consistently revealed more accurate Lagrangian particle motions. A novel track initialisation technique as a complementary part of 4D-PTV, based on local temporal and spatial coherency of neighbour trajectories, is proposed. The proposed Lagrangian Coherent Track Initialisation (LCTI) applies physics-based Finite Time Lyapunov Exponent (FTLE) to build four frame coherent tracks. We locally determine the boundaries (i.e., ridges) of Lagrangian Coherent Structures (LCS) among neighbour trajectories by using FTLE to distinguish clusters of coherent motions. To evaluate the proposed technique, we created an open-access synthetic Lagrangian and Eulerian dataset of the wake downstream of a smooth cylinder at a Reynolds number equal to 3900 obtained from 3D Direct Numerical Simulation (DNS). The dataset is available to the public. Performance of the proposed method based on three characteristic parameters, temporal scale, particle concentration (i.e., density), and noise ratio, showed robust behaviour in finding true tracks compared to the recent initialisation algorithms. Sensitivity of LCTI to the number of untracked and wrong tracks are also discussed. We address the capability of using the proposed method as a function of a 4D-PTV scheme in the Lagrangian Particle Tracking challenge for a flow with high particle densities. Finally, the LCTI behaviour was assessed in a real jet impingement experiment. LCTI was found to be a reliable tracking tool in complex flow motions, with a strength revealed for flows with high particle concentrations.
AimBot: A Simple Auxiliary Visual Cue to Enhance Spatial Awareness of Visuomotor Policies
In this paper, we propose AimBot, a lightweight visual augmentation technique that provides explicit spatial cues to improve visuomotor policy learning in robotic manipulation. AimBot overlays shooting lines and scope reticles onto multi-view RGB images, offering auxiliary visual guidance that encodes the end-effector's state. The overlays are computed from depth images, camera extrinsics, and the current end-effector pose, explicitly conveying spatial relationships between the gripper and objects in the scene. AimBot incurs minimal computational overhead (less than 1 ms) and requires no changes to model architectures, as it simply replaces original RGB images with augmented counterparts. Despite its simplicity, our results show that AimBot consistently improves the performance of various visuomotor policies in both simulation and real-world settings, highlighting the benefits of spatially grounded visual feedback.
Refining Graphical Neural Network Predictions Using Flow Matching for Optimal Power Flow with Constraint-Satisfaction Guarantee
The DC Optimal Power Flow (DC-OPF) problem is fundamental to power system operations, requiring rapid solutions for real-time grid management. While traditional optimization solvers provide optimal solutions, their computational cost becomes prohibitive for large-scale systems requiring frequent recalculations. Machine learning approaches offer promise for acceleration but often struggle with constraint satisfaction and cost optimality. We present a novel two-stage learning framework that combines physics-informed Graph Neural Networks (GNNs) with Continuous Flow Matching (CFM) for solving DC-OPF problems. Our approach embeds fundamental physical principles--including economic dispatch optimality conditions, Kirchhoff's laws, and Karush-Kuhn-Tucker (KKT) complementarity conditions--directly into the training objectives. The first stage trains a GNN to produce feasible initial solutions by learning from physics-informed losses that encode power system constraints. The second stage employs CFM, a simulation-free continuous normalizing flow technique, to refine these solutions toward optimality through learned vector field regression. Evaluated on the IEEE 30-bus system across five load scenarios ranging from 70\% to 130\% nominal load, our method achieves near-optimal solutions with cost gaps below 0.1\% for nominal loads and below 3\% for extreme conditions, while maintaining 100\% feasibility. Our framework bridges the gap between fast but approximate neural network predictions and optimal but slow numerical solvers, offering a practical solution for modern power systems with high renewable penetration requiring frequent dispatch updates.
NeuRAD: Neural Rendering for Autonomous Driving
Neural radiance fields (NeRFs) have gained popularity in the autonomous driving (AD) community. Recent methods show NeRFs' potential for closed-loop simulation, enabling testing of AD systems, and as an advanced training data augmentation technique. However, existing methods often require long training times, dense semantic supervision, or lack generalizability. This, in turn, hinders the application of NeRFs for AD at scale. In this paper, we propose NeuRAD, a robust novel view synthesis method tailored to dynamic AD data. Our method features simple network design, extensive sensor modeling for both camera and lidar -- including rolling shutter, beam divergence and ray dropping -- and is applicable to multiple datasets out of the box. We verify its performance on five popular AD datasets, achieving state-of-the-art performance across the board. To encourage further development, we will openly release the NeuRAD source code. See https://github.com/georghess/NeuRAD .
Machine Learning Based Forward Solver: An Automatic Framework in gprMax
General full-wave electromagnetic solvers, such as those utilizing the finite-difference time-domain (FDTD) method, are computationally demanding for simulating practical GPR problems. We explore the performance of a near-real-time, forward modeling approach for GPR that is based on a machine learning (ML) architecture. To ease the process, we have developed a framework that is capable of generating these ML-based forward solvers automatically. The framework uses an innovative training method that combines a predictive dimensionality reduction technique and a large data set of modeled GPR responses from our FDTD simulation software, gprMax. The forward solver is parameterized for a specific GPR application, but the framework can be extended in a straightforward manner to different electromagnetic problems.
MobileLLM-Pro Technical Report
Efficient on-device language models around 1 billion parameters are essential for powering low-latency AI applications on mobile and wearable devices. However, achieving strong performance in this model class, while supporting long context windows and practical deployment remains a significant challenge. We introduce MobileLLM-Pro, a 1-billion-parameter language model optimized for on-device deployment. MobileLLM-Pro achieves state-of-the-art results across 11 standard benchmarks, significantly outperforming both Gemma 3-1B and Llama 3.2-1B, while supporting context windows of up to 128,000 tokens and showing only minor performance regressions at 4-bit quantization. These improvements are enabled by four core innovations: (1) implicit positional distillation, a novel technique that effectively instills long-context capabilities through knowledge distillation; (2) a specialist model merging framework that fuses multiple domain experts into a compact model without parameter growth; (3) simulation-driven data mixing using utility estimation; and (4) 4-bit quantization-aware training with self-distillation. We release our model weights and code to support future research in efficient on-device language models.
Artificial Intelligence for Personalized Prediction of Alzheimer's Disease Progression: A Survey of Methods, Data Challenges, and Future Directions
Alzheimer's Disease (AD) is marked by significant inter-individual variability in its progression, complicating accurate prognosis and personalized care planning. This heterogeneity underscores the critical need for predictive models capable of forecasting patient-specific disease trajectories. Artificial Intelligence (AI) offers powerful tools to address this challenge by analyzing complex, multi-modal, and longitudinal patient data. This paper provides a comprehensive survey of AI methodologies applied to personalized AD progression prediction. We review key approaches including state-space models for capturing temporal dynamics, deep learning techniques like Recurrent Neural Networks for sequence modeling, Graph Neural Networks (GNNs) for leveraging network structures, and the emerging concept of AI-driven digital twins for individualized simulation. Recognizing that data limitations often impede progress, we examine common challenges such as high dimensionality, missing data, and dataset imbalance. We further discuss AI-driven mitigation strategies, with a specific focus on synthetic data generation using Variational Autoencoders (VAEs) and Generative Adversarial Networks (GANs) to augment and balance datasets. The survey synthesizes the strengths and limitations of current approaches, emphasizing the trend towards multimodal integration and the persistent need for model interpretability and generalizability. Finally, we identify critical open challenges, including robust external validation, clinical integration, and ethical considerations, and outline promising future research directions such as hybrid models, causal inference, and federated learning. This review aims to consolidate current knowledge and guide future efforts in developing clinically relevant AI tools for personalized AD prognostication.
Effects of Dark Matter Self Interactions on Sagittarius and Its Stream
This work explores how assumptions regarding the particle-physics nature of dark matter can alter the evolution of the Sagittarius (Sgr) dwarf spheroidal galaxy and its expansive stellar stream. We run a large suite of N-body simulations to model the infall of a Sgr-like dwarf, exploring how the presence of dark matter self interactions impacts its evolution. For a scattering cross section of sigma/m_chi = 30 cm^2/g (at orbital velocity scales), these interactions result in significantly less stellar mass and little to no dark matter bound to the progenitor at the present day. To isolate the cause of this mass loss, we introduce a novel technique for controlling which pairs of dark matter simulation particles can interact. This enables us to identify ram-pressure evaporation - the scattering of satellite and host dark matter particles - as the primary source of the enhanced mass loss. The rapid disintegration of the Sgr progenitor when self interactions are allowed alters some key properties of the resulting stellar stream, most dramatically suppressing the presence of a "spur" on the apocenter of the trailing stream arm that correlates with the mass of the satellite at last pericenter. We demonstrate how the effects on the Sgr system scale with the particular choice of self-interaction cross section, which affects the degree of ram-pressure evaporation. These findings generalize beyond the Sgr system, underscoring that dwarf stellar streams and dwarf galaxies with close passages may serve as sensitive probes for dark matter self interactions.
H2R: A Human-to-Robot Data Augmentation for Robot Pre-training from Videos
Large-scale pre-training using videos has proven effective for robot learning. However, the models pre-trained on such data can be suboptimal for robot learning due to the significant visual gap between human hands and those of different robots. To remedy this, we propose H2R, a simple data augmentation technique that detects human hand keypoints, synthesizes robot motions in simulation, and composites rendered robots into egocentric videos. This process explicitly bridges the visual gap between human and robot embodiments during pre-training. We apply H2R to augment large-scale egocentric human video datasets such as Ego4D and SSv2, replacing human hands with simulated robotic arms to generate robot-centric training data. Based on this, we construct and release a family of 1M-scale datasets covering multiple robot embodiments (UR5 with gripper/Leaphand, Franka) and data sources (SSv2, Ego4D). To verify the effectiveness of the augmentation pipeline, we introduce a CLIP-based image-text similarity metric that quantitatively evaluates the semantic fidelity of robot-rendered frames to the original human actions. We validate H2R across three simulation benchmarks: Robomimic, RLBench and PushT and real-world manipulation tasks with a UR5 robot equipped with Gripper and Leaphand end-effectors. H2R consistently improves downstream success rates, yielding gains of 5.0%-10.2% in simulation and 6.7%-23.3% in real-world tasks across various visual encoders and policy learning methods. These results indicate that H2R improves the generalization ability of robotic policies by mitigating the visual discrepancies between human and robot domains.
