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Oct 16

Simulation of Weakly Ionized Hypersonic Flows with Reactive Species Weighting Scheme in the Direct Simulation Monte Carlo Method

The conservative species weighting scheme enables the direct simulation Monte Carlo (DSMC) method to resolve trace species such as electrons and ions in weakly ionized flows. The present study extends this scheme to reacting flows, utilizing a split-merge concept for particles with species-dependent weights. Reactive collisions between differently weighted species are processed according to their respective weights, introducing the production of an integer number of product particles and a probabilistic approach applied to both reactant and product particles to satisfy mass conservation. The extended scheme was validated in single-cell dissociation and exchange reaction test cases, verifying mass and total energy conservation and the mole-fraction histories against conventional DSMC. This extension provides the electron number density required for predicting the onset of communication blackout at high altitudes during hypersonic reentry. The method was applied to the Orbital Re-entry Experiment (OREX) flight conditions from 105.0 km to 92.8 km altitude. Translational and internal temperatures showed good agreement with conventional DSMC results, validating the macroscopic flow-field computation. The scheme enabled continuous spatial distributions of trace electron number density, consistent with the communication blackout onset observed in the flight data. The computed ion current reproduced the overall trend of the in-flight electrostatic probe data. The influences of the ion recombination at the vehicle surface and of the uncertainty of the N + O associative-ionization rate were quantified, and the range of the computed currents encompassed the available measurements. The 105.0 km case extended the prediction beyond available measurements, consistent with the overall trend.

  • 4 authors
·
Oct 5

Multi-FLEX: An Automatic Task Sequence Execution Framework to Enable Reactive Motion Planning for Multi-Robot Applications

In this letter, an integrated task planning and reactive motion planning framework termed Multi-FLEX is presented that targets real-world, industrial multi-robot applications. Reactive motion planning has been attractive for the purposes of collision avoidance, particularly when there are sources of uncertainty and variation. Most industrial applications, though, typically require parts of motion to be at least partially non-reactive in order to achieve functional objectives. Multi-FLEX resolves this dissonance and enables such applications to take advantage of reactive motion planning. The Multi-FLEX framework achieves 1) coordination of motion requests to resolve task-level conflicts and overlaps, 2) incorporation of application-specific task constraints into online motion planning using the new concepts of task dependency accommodation, task decomposition, and task bundling, and 3) online generation of robot trajectories using a custom, online reactive motion planner. This planner combines fast-to-create, sparse dynamic roadmaps (to find a complete path to the goal) with fast-to-execute, short-horizon, online, optimization-based local planning (for collision avoidance and high performance). To demonstrate, we use two six-degree-of-freedom, high-speed industrial robots in a deburring application to show the ability of this approach to not just handle collision avoidance and task variations, but to also achieve industrial applications.

  • 6 authors
·
Jan 30, 2024

ReactHuman: A Physics-Grounded Benchmark for Human-Like Reactive Decision-Making in Embodied Multimodal LLMs

Reacting to sudden physical hazards (catching a slipping plate, dodging a falling knife) is both a meaningful test of embodied intelligence and a hard requirement for deploying multimodal large language models (MLLMs) as the decision coreof household robots. Existing evaluations, however, probe intuitive physics passively through question answering over videos, or target deliberate, long-horizon tasks such as navigation and rearrangement; none measure whether a model can turn physical understanding into immediate, safety-critical action. We introduce ReactHuman, the first physics-grounded benchmark for human-like reactive decision-making, in which the evaluated MLLM acts as the brain of a simulated humanoid facing sudden household hazards; it spans 17 event families and over 1,000 bit-for-bit reproducible scenes with exact, annotation-free ground truth derived from 240 Hz rigid-body simulation, including adversarial objects whose appearance contradicts their physics (a foam anvil, a steel apple). We further design a five-metric suite that scores each reaction along three axes: reasonable, safe, and physically grounded. We physically execute every committed plan so that decisions have observable consequences. With this harness we evaluate seven representative MLLMs. Results show that reactive safety is far from solved: models mishandle roughly one hazard in three, act from fixed dispositions rather than the observed scene, trust appearance over motion, and miss interception points at meter scale even when the chosen action is correct; none of these failures shrink with model scale. ReactHuman thus offers both a fine-grained diagnosis and a scalable training signal toward physically grounded, safety-aware embodied agents. The benchmark can be found here: https://huggingface.co/datasets/Alan123/reacthuman-benchmark-scaled

  • 8 authors
·
Sep 8 3

A Type-and-Effect System for Temporal Dependency Analysis of Render-based Reactive Programs

Reactive programming frameworks such as React allow developers to build interactive applications by declaratively specifying how outputs depend on changing inputs. Although this model makes it easy to reason about what an application computes, the temporal behavior of reactive programs remains difficult to understand and verify. Applications implicitly rely on timing assumptions buried in framework runtimes, leading to subtle bugs such as stale reads, transient inconsistencies, order-dependent behavior, and unintended feedback cycles. To address these challenges, this paper presents Willow, a core calculus for reactive programming inspired by React. Willow gives a time-aware operational semantics that models computation in terms of renders, the fundamental evaluation step in which components produce user interface descriptions, and pairs it with a novel type-and-effect system that statically tracks timing behavior as effects. A "next" modality expresses delays measured not only in renders but in any unit the host environment exposes--renders, network requests, or milliseconds. A family of modalities tracks the lifecycle of event handlers: when they are registered, when they fire, when pending events are canceled and when handlers are removed. A key insight is that the resulting effects form a temporal dependency graph, letting standard graph algorithms statically detect render cascades and inter-render loops that cause non-termination or performance degradation. We formalize Willow and prove preservation of the effect system with respect to the time-aware semantics. We also implement a prototype checker with automatic effect inference and evaluate it on representative reactive patterns such as debouncing, form inputs, and API-driven updates. Our results demonstrate that time-aware typing provides a practical foundation for reasoning about the temporal correctness of reactive programs.

  • 3 authors
·
Jul 28

A Programming Paradigm for Spatiotemporal Composability

Modern software -- from plugin systems to self-evolving agent harnesses -- increasingly requires dynamic composition, yet its formal foundations remain underdeveloped. We identify two orthogonal dimensions of the problem: temporal composability, the ability to completely revert a component's side effects upon removal, and spatial composability, the ability to declare and reactively manage inter-component dependencies. We address the two dimensions by lifting classical effect and coeffect concepts to runtime mechanisms. In particular, we formalize revertible effects, in which every context transformation carries an inverse that the runtime holds, establishing temporal composability local to one component. We formalize reactive coeffects, in which every context change is classified against a component's coeffect specification to drive its activation and deactivation, establishing spatial composability local to one component. We then unify the effect context and the coeffect context into a single context type and mediate every effect and coeffect through it, yielding a discipline we call the context paradigm; the mediation induces an observational equivalence up to which the effects of distinct components interleave without disturbing one another. Combining these mechanisms into the notion of a component, we give a calculus of dynamic composition whose metatheory carries spatiotemporal composability from a single component to a whole system of interleaved components. We implement these ideas in Cordis, a meta-framework of spatiotemporal composability that provides a core library with effect tracking and coeffect resolution, as well as a declarative component loader with configuration reconciliation and hot module replacement.

deepseek-ai DeepSeek
·
Aug 25 3

Hybrid Neural World Models

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for training and deploying multi-horizon surrogates in physical state space, where a single network with continuous horizon conditioning is trained with direct supervision against textbook reference solvers to predict any future state at horizon T in one forward pass. Although no part of the training data, loss function, or architecture supervises discontinuity location, the trained surrogate encodes it implicitly, recoverable from its forward passes alone as a per-trajectory error map that concentrates on shocks, fronts, and contacts, and stays small elsewhere. The map is competitive with or better than standard label-free baselines including deep ensembles, learned error heads, gradient-magnitude indicators, and locally-adaptive conformal prediction, while using only a single trained network and requiring no calibration set or governing-equation knowledge. The recipe supports two operating points. Mode 1 runs the surrogate alone for maximum throughput, with same-hardware CPU speedups of 26x to 72x against textbook solvers on the PDE environments. Mode 2 uses the error map to gate a reference-solver fallback, deferring uncertain trajectories and roughly halving the surrogate's residual error at the default operating point. The recipe applies without modification across reaction-diffusion, compressible Euler, and rigid-body collision dynamics.

  • 2 authors
·
May 26 1

ReactDance: Hierarchical Representation for High-Fidelity and Coherent Long-Form Reactive Dance Generation

Reactive dance generation (RDG), the task of generating a dance conditioned on a lead dancer's motion, holds significant promise for enhancing human-robot interaction and immersive digital entertainment. Despite progress in duet synchronization and motion-music alignment, two key challenges remain: generating fine-grained spatial interactions and ensuring long-term temporal coherence. In this work, we introduce ReactDance, a diffusion framework that operates on a novel hierarchical latent space to address these spatiotemporal challenges in RDG. First, for high-fidelity spatial expression and fine-grained control, we propose Hierarchical Finite Scalar Quantization (HFSQ). This multi-scale motion representation effectively disentangles coarse body posture from subtle limb dynamics, enabling independent and detailed control over both aspects through a layered guidance mechanism. Second, to efficiently generate long sequences with high temporal coherence, we propose Blockwise Local Context (BLC), a non-autoregressive sampling strategy. Departing from slow, frame-by-frame generation, BLC partitions the sequence into blocks and synthesizes them in parallel via periodic causal masking and positional encodings. Coherence across these blocks is ensured by a dense sliding-window training approach that enriches the representation with local temporal context. Extensive experiments show that ReactDance substantially outperforms state-of-the-art methods in motion quality, long-term coherence, and sampling efficiency. Project page: https://ripemangobox.github.io/ReactDance.

  • 11 authors
·
Mar 4

Machine Learning for Polaritonic Chemistry: Accessing chemical kinetics

Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusive. This originates mostly from the fact that accurately predicting vibrational and reactive dynamics for soluted ensembles of realistic molecules is no small endeavor, and adding (collective) strong light-matter interaction does not simplify matters. Here, we establish a framework based on a combination of machine learning (ML) models, trained using density-functional theory calculations, and molecular dynamics to accelerate such simulations. We then apply this approach to evaluate strong coupling, changes in reaction rate constant, and their influence on enthalpy and entropy for the deprotection reaction of 1-phenyl-2-trimethylsilylacetylene, which has been studied previously both experimentally and using ab initio simulations. While we find qualitative agreement with critical experimental observations, especially with regard to the changes in kinetics, we also find differences in comparison with previous theoretical predictions. The features for which the ML-accelerated and ab initio simulations agree show the experimentally estimated kinetic behavior. Conflicting features indicate that a contribution of dynamic electronic polarization to the reaction process is more relevant then currently believed. Our work demonstrates the practical use of ML for polaritonic chemistry, discusses limitations of common approximations and paves the way for a more holistic description of polaritonic chemistry.

  • 4 authors
·
Nov 16, 2023

INTERACTION Dataset: An INTERnational, Adversarial and Cooperative moTION Dataset in Interactive Driving Scenarios with Semantic Maps

Behavior-related research areas such as motion prediction/planning, representation/imitation learning, behavior modeling/generation, and algorithm testing, require support from high-quality motion datasets containing interactive driving scenarios with different driving cultures. In this paper, we present an INTERnational, Adversarial and Cooperative moTION dataset (INTERACTION dataset) in interactive driving scenarios with semantic maps. Five features of the dataset are highlighted. 1) The interactive driving scenarios are diverse, including urban/highway/ramp merging and lane changes, roundabouts with yield/stop signs, signalized intersections, intersections with one/two/all-way stops, etc. 2) Motion data from different countries and different continents are collected so that driving preferences and styles in different cultures are naturally included. 3) The driving behavior is highly interactive and complex with adversarial and cooperative motions of various traffic participants. Highly complex behavior such as negotiations, aggressive/irrational decisions and traffic rule violations are densely contained in the dataset, while regular behavior can also be found from cautious car-following, stop, left/right/U-turn to rational lane-change and cycling and pedestrian crossing, etc. 4) The levels of criticality span wide, from regular safe operations to dangerous, near-collision maneuvers. Real collision, although relatively slight, is also included. 5) Maps with complete semantic information are provided with physical layers, reference lines, lanelet connections and traffic rules. The data is recorded from drones and traffic cameras. Statistics of the dataset in terms of number of entities and interaction density are also provided, along with some utilization examples in a variety of behavior-related research areas. The dataset can be downloaded via https://interaction-dataset.com.

  • 11 authors
·
Sep 30, 2019

ReactiveBFM: Reactive Closed-Loop Motion Planning Towards Universal Humanoid Whole-Body Control

While current Behavior Foundation Models (BFMs) provide robust control priors for humanoids, they only execute pre-defined reference motions. As a result, they are vulnerable to environmental shifts and incapable of reactive whole-body coordination. Naively cascading them with generative motion planners fails to achieve true reactivity, as inevitable tracking discrepancies induce fatal cumulative exposure bias. To bridge this gap, we propose ReactiveBFM, a real-time closed-loop planning-control framework. At its core, we effectively mitigate exposure bias via a scheduled prefix sampling curriculum, forcing the generative planner to actively learn error-recovery behaviors from imperfect physical states rather than ground-truth trajectories. Systematically, to reconcile the severe latency mismatch between auto-regressive planning and high-frequency tracking, we introduce an asynchronous replanning mechanism. Combined with trajectory chunking to temporally ensemble spatial references, our system guarantees spatio-temporally fluid execution without physical jitter. Deployed on the Unitree G1 humanoid, ReactiveBFM demonstrates unprecedented physical agility across a vast repertoire of text-conditioned closed-loop motions. Notably, ReactiveBFM achieves zero-shot moving target reaching, showcasing intricate whole-body coordination and on-the-fly replanning. In sim-to-sim benchmarking under severe perturbations, ReactiveBFM achieves a 93.1% success rate, significantly outperforming cascaded open-loop baselines by 28.6%.

  • 15 authors
·
Jun 28

Learning to Trigger: Reinforcement Learning at the Large Hadron Collider

High-throughput scientific facilities such as the Large Hadron Collider depend on real-time event filtering (triggering) under tight constraints on bandwidth, latency, and storage. In practice, trigger menus are largely static and hand-tuned and can become suboptimal as detector conditions, pileup, and background composition drift over time. We cast online threshold tuning as a sequential decision-making problem: a reinforcement learning agent ingests streaming summaries of recent rates and signal-sensitive features and updates trigger thresholds to maximize signal efficiency while tracking a target background rate within a tolerance band. We adapt Group-Filtered Policy Optimization (GFPO) to streaming control and introduce two variants (GFPO-F, GFPO-FR) that enforce background rate feasibility during training. On a benchmark that emulates realistic collider operation, we study two representative triggers: a total transverse energy (H_{T}) trigger sensitive to pileup variation, and an anomaly-detection (AD) trigger based on reconstruction loss for rare or non-standard signatures. On Monte Carlo streams, our agent increases the fraction of in-tolerance time intervals by 48\% (H_T) and 28\% (AD), with a cumulative gain of up to 2\% in signal efficiency on those in-tolerance intervals. Transferring from simulation to real collision data (CMS Run 283408), the same agent, without fine-tuning, achieves a 56\% (H_T) and 28\% (AD) in-tolerance improvement over baselines, with further signal-efficiency gain on both triggers. To our knowledge, this is the first demonstration of RL-based trigger control on real Large Hadron Collider collision data. Code is available at https://github.com/Zixind/GFPO_LHC (see repo for details).

Learning Flexible Body Collision Dynamics with Hierarchical Contact Mesh Transformer

Recently, many mesh-based graph neural network (GNN) models have been proposed for modeling complex high-dimensional physical systems. Remarkable achievements have been made in significantly reducing the solving time compared to traditional numerical solvers. These methods are typically designed to i) reduce the computational cost in solving physical dynamics and/or ii) propose techniques to enhance the solution accuracy in fluid and rigid body dynamics. However, it remains under-explored whether they are effective in addressing the challenges of flexible body dynamics, where instantaneous collisions occur within a very short timeframe. In this paper, we present Hierarchical Contact Mesh Transformer (HCMT), which uses hierarchical mesh structures and can learn long-range dependencies (occurred by collisions) among spatially distant positions of a body -- two close positions in a higher-level mesh correspond to two distant positions in a lower-level mesh. HCMT enables long-range interactions, and the hierarchical mesh structure quickly propagates collision effects to faraway positions. To this end, it consists of a contact mesh Transformer and a hierarchical mesh Transformer (CMT and HMT, respectively). Lastly, we propose a flexible body dynamics dataset, consisting of trajectories that reflect experimental settings frequently used in the display industry for product designs. We also compare the performance of several baselines using well-known benchmark datasets. Our results show that HCMT provides significant performance improvements over existing methods. Our code is available at https://github.com/yuyudeep/hcmt.

  • 12 authors
·
Dec 19, 2023

The Rayleigh-Boltzmann equation with shear deformations in the hyperbolic-dominated regime

In this paper we consider a particular class of solutions of the Rayleigh-Boltzmann equation, known in the nonlinear setting as homoenergetic solutions, which have the form gleft( x,v,t right) =fleft( v-Lleft( tright)x,tright) where the matrix L(t) describes a shear flow deformation. We began this analysis in [22] where we rigorously proved the existence of a stationary non-equilibrium solution and established the different behaviour of the solutions for small and large values of the shear parameter, for cut-off collision kernels with homogeneity parameter 0leq gamma <1, including Maxwell molecules and hard potentials. In this paper, we concentrate in the case where the deformation term dominates the collision term for large times (hyperbolic-dominated regime). This occurs for collision kernels with gamma < 0 and in particular we focus on gamma in (-1,0). In such a hyperbolic-dominated regime, it appears challenging to provide a clear description of the long-term asymptotics of the solutions. Here we present a formal analysis of the long-time asymptotics for the distribution of velocities and provide the explicit form for the asymptotic profile. Additionally, we discuss the different asymptotic behaviour expected in the case of homogeneity gamma < -1. Furthermore, we provide a probabilistic interpretation describing a stochastic process consisting in a combination of collisions and shear flows. The tagged particle velocity {v(t)}_{tgeq 0} is a Markov process that arises from the combination of free flights in a shear flow along with random jumps caused by collisions.

  • 3 authors
·
Jun 18, 2025

MoReact: Generating Reactive Motion from Textual Descriptions

Modeling and generating human reactions poses a significant challenge with broad applications for computer vision and human-computer interaction. Existing methods either treat multiple individuals as a single entity, directly generating interactions, or rely solely on one person's motion to generate the other's reaction, failing to integrate the rich semantic information that underpins human interactions. Yet, these methods often fall short in adaptive responsiveness, i.e., the ability to accurately respond to diverse and dynamic interaction scenarios. Recognizing this gap, our work introduces an approach tailored to address the limitations of existing models by focusing on text-driven human reaction generation. Our model specifically generates realistic motion sequences for individuals that responding to the other's actions based on a descriptive text of the interaction scenario. The goal is to produce motion sequences that not only complement the opponent's movements but also semantically fit the described interactions. To achieve this, we present MoReact, a diffusion-based method designed to disentangle the generation of global trajectories and local motions sequentially. This approach stems from the observation that generating global trajectories first is crucial for guiding local motion, ensuring better alignment with given action and text. Furthermore, we introduce a novel interaction loss to enhance the realism of generated close interactions. Our experiments, utilizing data adapted from a two-person motion dataset, demonstrate the efficacy of our approach for this novel task, which is capable of producing realistic, diverse, and controllable reactions that not only closely match the movements of the counterpart but also adhere to the textual guidance. Please find our webpage at https://xiyan-xu.github.io/MoReactWebPage.

  • 4 authors
·
Sep 28, 2025

Conditional Normalizing Flow for Gas-Surface Scattering from Thermal to Hypersonic Velocities

Accurate aerodynamic modeling of satellites in very low Earth orbit (VLEO) requires gas-surface interaction (GSI) models that capture the full velocity spectrum from thermal to orbital speeds. Atmospheric particles initially strike spacecraft surfaces at hypersonic velocities of 6 000 - 10 000 m/s. Due to surface roughness and complex geometries, especially within air-breathing electric propulsion (ABEP) intake systems, multiple collisions occur, progressively reducing the particle velocities. A recent machine learning framework for deriving scattering kernels from molecular dynamics (MD) simulations has shown promise, but remains limited to high-velocity single impacts and possibly violates fundamental equilibrium principles such as detailed balance. This work extends this machine learning based scattering kernel to cover the complete velocity range using conditional normalizing flows trained with physics-informed constraints, enabling accurate modeling of multi-bounce scenarios in realistic VLEO applications. We train a conditional Real-valued Non-Volume Preserving (cRealNVP) model on expanded molecular dynamics simulations covering velocities from thermal to hypersonic speeds, incorporating a detailed balance loss term. The resulting model demonstrates improved accuracy compared to previous approaches even in the original high-velocity regime, while successfully capturing thermal-velocity scattering. Quantitative assessment shows that thermalization is approximated within acceptable tolerances. This framework provides essential capabilities for accurate ABEP intake optimization and VLEO mission planning while offering a general methodology applicable to broader rarefied gas dynamics problems requiring thermodynamic consistency.

  • 6 authors
·
Jul 2

A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

  • 3 authors
·
Oct 29, 2025

An efficient Asymptotic-Preserving scheme for the Boltzmann mixture with disparate mass

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

  • 3 authors
·
Nov 20, 2024

Radiation-magnetohydrodynamic Simulations of Accretion Flow Formation After a Tidal Disruption Event

We perform 3D radiation-magnetohydrodynamic simulations of the evolution of the fallback debris after a tidal disruption event. We focus on studying the effects of magnetic fields on the formation and early evolution of the accretion flow. We find that large magnetic fields can increase the debris stream thickness, moderately reducing the efficiency of the radiative acceleration of outflows during the first self-intersecting collisions. As gas accumulates and the collisions happen instead between the infalling stream and the accretion flow, magnetized and nonmagnetized systems evolve similarly at these early times: radiation-driven outflows dominate early after the initial stream-stream collision and a few days later, the accretion rate exceeds the mass outflow rate. We find that the MRI does not play a significant role in angular momentum transport and dissipation. Nor do we find evidence of a magnetocentrifugal driven outflow. Instead, collisions continue to dissipate kinetic energy into radiation that launches outflows and powers TDE luminosities reaching Lsim4-6times10^{44} erg s^{-1}. Shock-driven outflows and inflows redistribute angular momentum throughout the extent (sim50 r_s) of the forming eccentric disk. Even in the presence of magnetic stresses, the accretion flow remains mostly eccentric with esim0.2-0.3 for rlesssim8r_s and esim0.4-0.5 for 10lesssim r,(r_s)lesssim50. Lastly, we find a polar angle-dependent density structure compatible with the viewing-angle effect, along with an additional azimuthal angle dependence established by the collisions.

  • 4 authors
·
Oct 25, 2025

ForceWAM: Decoupling Future and Response Learning from Demo and Play Data for Contact-Rich Manipulation

Expert demonstrations show how to complete contact-rich tasks, but provide limited coverage of how interaction forces respond to different actions. Task-agnostic play provides broader experience of contact dynamics without specifying task goals. To fully leverage these two types of data, we introduce ForceWAM, a force world action model that decouples knowledge of task-compatible interaction outcomes from knowledge of how local actions change contact. A world model learns from successful demonstrations to jointly predict future video and six-axis force/torque trajectories. Together, these futures describe the expected evolution of motion and contact during the task. A separate inverse dynamics model (IDM) learns from both task and play, mapping current observations and recorded visual-wrench futures to their associated robot actions. Play data thus provide knowledge of force responses for goal-directed execution. At deployment, the IDM reactively translates generated futures into actions, reusing them with fresh wrench feedback between world-model updates. Across real-robot force-regulated sliding, box flipping with and without disturbances, and ring placement, ForceWAM achieves 85-95% mean success, surpassing world-modeling and reactive baselines. Our experiments further show that adding task-agnostic play data improves success by 15-45 percentage points, demonstrating its value for learning contact-rich execution. Project page and code are available at https://force-wam.github.io/.

  • 19 authors
·
Oct 12

Mesoscale Turbulence in Type Ia Supernova Deflagrations II. Evidence for Fuel Preheat Due to Flame Thermal Expansion from Lagrangian Analysis

Thermonuclear flame fronts in Type Ia supernovae develop hydrodynamic instabilities that generate turbulent mesoscale flow and substantial local thermodynamic variability. Recent work by Brooker+25 demonstrated systematic shortening of fuel ignition times near Rayleigh--Taylor unstable deflagration fronts, but the physical origin remained unclear. We investigate the thermodynamic evolution of fuel near the flame front using multidimensional simulations and Lagrangian tracer-particle analysis, focusing on flame-driven expansion and ignition-time variability in partially degenerate carbon--oxygen plasma. Tracer trajectories show that the most strongly preconditioned fuel parcels near the flame front, which form a minority of the fuel layer, undergo approximately pressure-constrained expansion with modest density reductions and temperature increases of approx 2times10^{8}~K to approx7times10^{8}~K (approx13 to 63 per cent above the unperturbed fuel temperature) between the low- and high-density models. Despite moderate thermodynamic perturbations, the strong temperature sensitivity of carbon ignition produces substantial shortening of ignition times. The results indicate a two-step mechanism: flame thermal expansion perturbs the fuel away from hydrostatic equilibrium, while restoration of pressure balance by weak acoustic waves redistributes internal energy from degenerate to thermal components. This raises the fuel temperature and produces localized thermodynamic preconditioning. These results suggest that unsteady thermonuclear flames can shorten ignition times ahead of the flame, influencing fuel over distances larger than the laminar flame thickness. Whether this preconditioning leads to secondary ignition or contributes to deflagration-to-detonation transition remains untested here, as nuclear burning is disabled in the analyzed fuel.

  • 3 authors
·
Oct 1

SPIKE: An Adaptive Dual Controller Framework for Cost-Efficient Long-Horizon Game Agents

Long-horizon multimodal agents in open-world games must stay goal-directed across many low-level interactions under tight token and latency budgets. Existing approaches often trade off costly per-step reasoning against reactive execution that can drift, repeat failures, and recover poorly. Our key idea is to reuse strategic reasoning across locally stable segments and reinvoke it at event boundaries. We present SPIKE, an adaptive dual controller framework for cost-efficient long-horizon game control. Its Strategic Controller performs low-frequency global planning, failure analysis, and recovery, while its Reactive Controller handles fast local execution under a strict token budget. An Event Trigger monitors visual change, task progress, repeated actions, and failure signals to decide when control should stay reactive or escalate to strategic reasoning. Hierarchical Memory separates short-term experience reuse in the State-Action Memory Bank (SA-MB) from structured evidence in the State Action Knowledge Graph (SA-KG), allowing each controller to retrieve the context it needs. This design reuses strategic proposals over multiple reactive steps, supports local override when plans become stale, and reserves expensive reasoning for moments where extra deliberation is useful. On the Lite-100 split of StarDojo, SPIKE improves Lite-100 success rate (SR) by 5.0 percentage points (38.5% relative) over the strongest Lite-100 baseline and Budgeted SR by 9.3 points (75.6% relative) over the strongest budgeted baseline. It also reduces token consumption by 54.9% and latency by 40.8%. Ablations show that event triggering, reactive override, and heterogeneous memory each contribute to success and recovery, supporting selective reasoning rather than reasoning at every step.

  • 9 authors
·
May 17

Kinema4D: Kinematic 4D World Modeling for Spatiotemporal Embodied Simulation

Simulating robot-world interactions is a cornerstone of Embodied AI. Recently, a few works have shown promise in leveraging video generations to transcend the rigid visual/physical constraints of traditional simulators. However, they primarily operate in 2D space or are guided by static environmental cues, ignoring the fundamental reality that robot-world interactions are inherently 4D spatiotemporal events that require precise interactive modeling. To restore this 4D essence while ensuring the precise robot control, we introduce Kinema4D, a new action-conditioned 4D generative robotic simulator that disentangles the robot-world interaction into: i) Precise 4D representation of robot controls: we drive a URDF-based 3D robot via kinematics, producing a precise 4D robot control trajectory. ii) Generative 4D modeling of environmental reactions: we project the 4D robot trajectory into a pointmap as a spatiotemporal visual signal, controlling the generative model to synthesize complex environments' reactive dynamics into synchronized RGB/pointmap sequences. To facilitate training, we curated a large-scale dataset called Robo4D-200k, comprising 201,426 robot interaction episodes with high-quality 4D annotations. Extensive experiments demonstrate that our method effectively simulates physically-plausible, geometry-consistent, and embodiment-agnostic interactions that faithfully mirror diverse real-world dynamics. For the first time, it shows potential zero-shot transfer capability, providing a high-fidelity foundation for advancing next-generation embodied simulation.

mmlab-ntu MMLab@NTU
·
Mar 17 4

ClashBench: Conflicts Leading Agents to Seize and Harm

As agent systems become more widely used, multiple agent sessions increasingly run alongside pre-existing user tasks in the same environment, sharing resources with limited capacity or mutually exclusive states. This creates a safety risk: when granted sufficient privileges, an agent may resolve a resource conflict by terminating or otherwise disrupting an existing task rather than reporting it. In this work, we identify and formalize this failure mode, which we term destructive resource preemption: obtaining the resources required for a requested task by terminating, overwriting, evicting, or degrading an incumbent task. To systematically study this risk, we introduce ClashBench, an executable benchmark comprising 268 validated conflict cases across 55 resource types, and evaluate 17 models through Codex, Claude Code, and OpenCode. We observe destructive preemption in 44.5% of trajectories, where the agent completes the requested task while causing the incumbent task to fail its health check. We also show that prompt-based safeguards are insufficient: an instruction to avoid affecting existing tasks reduces but does not eliminate preemption, while an instruction explicitly authorizing the agent to stop local processes increases it. More concerningly, in 31.9% of successful destructive-preemption cases, the final response mentions neither the resource conflict nor the action taken to resolve it, raising concerns about possible concealment. These findings establish destructive resource preemption as a broad safety risk in privileged agent systems and motivate stronger privilege controls, task isolation, and conflict-aware safeguards.

  • 9 authors
·
Sep 16

FASTER: Rethinking Real-Time Flow VLAs

Real-time execution is crucial for deploying Vision-Language-Action (VLA) models in the physical world. Existing asynchronous inference methods primarily optimize trajectory smoothness, but neglect the critical latency in reacting to environmental changes. By rethinking the notion of reaction in action chunking policies, this paper presents a systematic analysis of the factors governing reaction time. We show that reaction time follows a uniform distribution determined jointly by the Time to First Action (TTFA) and the execution horizon. Moreover, we reveal that the standard practice of applying a constant schedule in flow-based VLAs can be inefficient and forces the system to complete all sampling steps before any movement can start, forming the bottleneck in reaction latency. To overcome this issue, we propose Fast Action Sampling for ImmediaTE Reaction (FASTER). By introducing a Horizon-Aware Schedule, FASTER adaptively prioritizes near-term actions during flow sampling, compressing the denoising of the immediate reaction by tenfold (e.g., in π_{0.5} and X-VLA) into a single step, while preserving the quality of long-horizon trajectory. Coupled with a streaming client-server pipeline, FASTER substantially reduces the effective reaction latency on real robots, especially when deployed on consumer-grade GPUs. Real-world experiments, including a highly dynamic table tennis task, prove that FASTER unlocks unprecedented real-time responsiveness for generalist policies, enabling rapid generation of accurate and smooth trajectories.

Simulating the Unseen: Crash Prediction Must Learn from What Did Not Happen

Traffic safety science has long been hindered by a fundamental data paradox: the crashes we most wish to prevent are precisely those events we rarely observe. Existing crash-frequency models and surrogate safety metrics rely heavily on sparse, noisy, and under-reported records, while even sophisticated, high-fidelity simulations undersample the long-tailed situations that trigger catastrophic outcomes such as fatalities. We argue that the path to achieving Vision Zero, i.e., the complete elimination of traffic fatalities and severe injuries, requires a paradigm shift from traditional crash-only learning to a new form of counterfactual safety learning: reasoning not only about what happened, but also about the vast set of plausible yet perilous scenarios that could have happened under slightly different circumstances. To operationalize this shift, our proposed agenda bridges macro to micro. Guided by crash-rate priors, generative scene engines, diverse driver models, and causal learning, near-miss events are synthesized and explained. A crash-focused digital twin testbed links micro scenes to macro patterns, while a multi-objective validator ensures that simulations maintain statistical realism. This pipeline transforms sparse crash data into rich signals for crash prediction, enabling the stress-testing of vehicles, roads, and policies before deployment. By learning from crashes that almost happened, we can shift traffic safety from reactive forensics to proactive prevention, advancing Vision Zero.

  • 15 authors
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May 27, 2025

cuRoboV2: Dynamics-Aware Motion Generation with Depth-Fused Distance Fields for High-DoF Robots

Effective robot autonomy requires motion generation that is safe, feasible, and reactive. Current methods are fragmented: fast planners output physically unexecutable trajectories, reactive controllers struggle with high-fidelity perception, and existing solvers fail on high-DoF systems. We present cuRoboV2, a unified framework with three key innovations: (1) B-spline trajectory optimization that enforces smoothness and torque limits; (2) a GPU-native TSDF/ESDF perception pipeline that generates dense signed distance fields covering the full workspace, unlike existing methods that only provide distances within sparsely allocated blocks, up to 10x faster and in 8x less memory than the state-of-the-art at manipulation scale, with up to 99% collision recall; and (3) scalable GPU-native whole-body computation, namely topology-aware kinematics, differentiable inverse dynamics, and map-reduce self-collision, that achieves up to 61x speedup while also extending to high-DoF humanoids (where previous GPU implementations fail). On benchmarks, cuRoboV2 achieves 99.7% success under 3kg payload (where baselines achieve only 72--77%), 99.6% collision-free IK on a 48-DoF humanoid (where prior methods fail entirely), and 89.5% retargeting constraint satisfaction (vs. 61% for PyRoki); these collision-free motions yield locomotion policies with 21% lower tracking error than PyRoki and 12x lower cross-seed variance than GMR. A ground-up codebase redesign for discoverability enabled LLM coding assistants to author up to 73% of new modules, including hand-optimized CUDA kernels, demonstrating that well-structured robotics code can unlock productive human-LLM collaboration. Together, these advances provide a unified, dynamics-aware motion generation stack that scales from single-arm manipulators to full humanoids. Code is available at https://github.com/NVlabs/curobo.

  • 3 authors
·
Apr 15

Dispider: Enabling Video LLMs with Active Real-Time Interaction via Disentangled Perception, Decision, and Reaction

Active Real-time interaction with video LLMs introduces a new paradigm for human-computer interaction, where the model not only understands user intent but also responds while continuously processing streaming video on the fly. Unlike offline video LLMs, which analyze the entire video before answering questions, active real-time interaction requires three capabilities: 1) Perception: real-time video monitoring and interaction capturing. 2) Decision: raising proactive interaction in proper situations, 3) Reaction: continuous interaction with users. However, inherent conflicts exist among the desired capabilities. The Decision and Reaction require a contrary Perception scale and grain, and the autoregressive decoding blocks the real-time Perception and Decision during the Reaction. To unify the conflicted capabilities within a harmonious system, we present Dispider, a system that disentangles Perception, Decision, and Reaction. Dispider features a lightweight proactive streaming video processing module that tracks the video stream and identifies optimal moments for interaction. Once the interaction is triggered, an asynchronous interaction module provides detailed responses, while the processing module continues to monitor the video in the meantime. Our disentangled and asynchronous design ensures timely, contextually accurate, and computationally efficient responses, making Dispider ideal for active real-time interaction for long-duration video streams. Experiments show that Dispider not only maintains strong performance in conventional video QA tasks, but also significantly surpasses previous online models in streaming scenario responses, thereby validating the effectiveness of our architecture. The code and model are released at https://github.com/Mark12Ding/Dispider.

  • 8 authors
·
Jan 6, 2025 6

A Plausible Future Is Not a Causal Future: Can Video Models Generate How the World Unfolds?

Large-scale video generation models are increasingly viewed as a promising path toward world models, yet their ability to capture causally coherent physical dynamics remains poorly understood. Existing evaluations largely emphasize visual quality, prompt adherence, or broad physical plausibility, leaving open whether a model can faithfully realize a complete causal cascade, in which an initiating event propagates through causally dependent interactions to a terminal outcome. We introduce CausalCascade, a simulator-grounded benchmark centered on 50 event-rich Blender scenes with structured event graphs, graph-grounded diagnostic VQA, three levels of future-event specification, and 2,832 controlled counterfactual variants, and use it to evaluate nine image-to-video models with complementary motion-, event-, and counterfactual-level diagnostics. Across the evaluated models, generated motion is more reliably localized spatially than realized with correct spatiotemporal evolution, while richer future-event specification improves event recovery but leaves physical realization limited. Counterfactual evaluation further reveals weak selective responsiveness to physical interventions, while most audited failures are foundational, arising at scene consistency or event occurrence. Together, these results position causal cascade generation as a process-level test of world modeling and highlight the need to jointly recover the intended future, faithfully realize its physical evolution, selectively respond to physical interventions, and maintain a coherent physical world over time. Code and dataset are available at https://github.com/SJTU-DeepDeltaLab/CausalCascade .

  • 4 authors
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Oct 10

TSAgent: An Agentic Workflow for Autonomous Transition State Search

Identifying transition states (TSs) on potential energy surfaces is a central computational bottleneck in mechanistic studies of catalytic materials. A TS search is not a single calculation but a long-horizon, multi-step workflow of atomistic simulations with delayed, asynchronous feedback and heterogeneous failure modes that require a joint multimodal analysis of scalar convergence diagnostics and atomic geometries along the reaction path. To address this challenge, we propose TSAgent, an agentic workflow that automates TS search directly at the density functional theory (DFT) level of quantum chemical accuracy. TSAgent operates through a persistent plan-execute-analyze-replan loop, continuously adapting its strategy based on convergence diagnostics and geometric feedback without human intervention. We evaluate TSAgent on a diverse 100-example subset of the OC20NEB heterogeneous catalysis benchmark, where it successfully locates TSs with 83% accuracy. In a direct comparison against expert DFT practitioners on 10 held-out examples, TSAgent achieves a 70% success rate compared to a human-expert average of 73 +/- 12%. Finally, TSAgent independently reproduces Bronsted-Evans-Polanyi scaling relationships for NH3 dissociation on metal and single-atom alloy surfaces from a published heterogeneous catalysis study, demonstrating that its utility extends beyond curated benchmarks to real scientific investigations.

  • 6 authors
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May 12

The elusive fluid-and-crystal coexistence state in simulations of monodisperse, hard-sphere colloids

Monodisperse, purely repulsive, hard spheres (MPRHS) are an important model system for mechanistically exploring phase behavior in atomic systems and colloids. Since the 1940s, phase transitions in these systems have been obtained via simulation, theory, and experiments. But there is a gap in this literature: despite decades of reports of phase transition from one pure state to another, no computational studies report spontaneous phase separation into coexisting domains of liquid and crystal regions. This gap owes its origin to the underlying mechanism of entropically-driven phase separation in MPRHS - the competition between short-range entropy and long-range entropy. Frenkel proposed that spontaneous phase separation in simulations of up to 1,000,000 particles would require more than 317,000,000 years to sample enough microstates to converge to phase separated macrostate. Some brute-force simulations do show brief spontaneous coexistence but a metastable crystal or fluid subsequently overtakes the system. To bypass these difficulties, many studies use seeding, gravity, or direct construction of liquid and solid phases to study interfacial energy and nucleation rates of MPRHS systems. WCA potentials have also been used to bypass metastability, where softness provides free volume, lowers osmotic pressure and the energy barrier. It is argued that the transition path taken in bypassing metastability is mechanistically the same as without triggers. But as acknowledged by Alder & Wainwright, explicit observation of spontaneous coexistence is central to computational prediction of first-order transition. Such observation would provide satisfying demonstration of Frenkel's entropy exchange mechanism. We explore literature revealing these interesting behaviors and conclude that computational demonstration of Frenkel's mechanism for MPRHS awaits large systems with careful hardness perturbations.

  • 4 authors
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Nov 2, 2025

Reconstructing Objects along Hand Interaction Timelines in Egocentric Video

We introduce the task of Reconstructing Objects along Hand Interaction Timelines (ROHIT). We first define the Hand Interaction Timeline (HIT) from a rigid object's perspective. In a HIT, an object is first static relative to the scene, then is held in hand following contact, where its pose changes. This is usually followed by a firm grip during use, before it is released to be static again w.r.t. to the scene. We model these pose constraints over the HIT, and propose to propagate the object's pose along the HIT enabling superior reconstruction using our proposed Constrained Optimisation and Propagation (COP) framework. Importantly, we focus on timelines with stable grasps - i.e. where the hand is stably holding an object, effectively maintaining constant contact during use. This allows us to efficiently annotate, study, and evaluate object reconstruction in videos without 3D ground truth. We evaluate our proposed task, ROHIT, over two egocentric datasets, HOT3D and in-the-wild EPIC-Kitchens. In HOT3D, we curate 1.2K clips of stable grasps. In EPIC-Kitchens, we annotate 2.4K clips of stable grasps including 390 object instances across 9 categories from videos of daily interactions in 141 environments. Without 3D ground truth, we utilise 2D projection error to assess the reconstruction. Quantitatively, COP improves stable grasp reconstruction by 6.2-11.3% and HIT reconstruction by up to 24.5% with constrained pose propagation.

  • 4 authors
·
Jun 1

Physically Viable World Models: A Case for Query-Conditioned Embodied AI

World models for embodied AI must be physically viable: constructed to answer intervention queries by representing the physical structure governing action outcomes, rather than merely predicting future observations. Existing observation-predictive world models can produce visually plausible but physically wrong rollouts. This failure is structural; distinct physical systems can look identical yet diverge under intervention. We expose this problem with controlled benchmarks that fix the visible scene while varying latent physics. We show that such models may recommend infeasible actions, mispredict interaction outcomes, or certify unsafe behavior. We argue that embodied AI requires world models that identify the simplest physical abstraction sufficient to answer an intervention query. Such a model comprises modular components, including environment representation, latent state and parameter estimation, action specification, interventional dynamics, and query-level response. An autonomous orchestrator should identify the relevant abstraction and compose compatible learned and structured components per query. When closed-form physics is unavailable, uncertain, or costly, the transition model may be analytic, simulated, learned, or hybrid, but it must preserve the structure that determines interventional outcomes. This decomposition makes the model interpretable, its components verifiable, and its outputs auditable against the query. It also provides a design principle for new world models and a feasibility test for existing ones: the right abstraction is not the most detailed model of the world, but the simplest model that preserves the distinctions relevant to the query. We demonstrate this approach on queries that existing systems fail to answer correctly, and outline how an orchestrator can dynamically assemble and adapt physically viable models for planning, control, and verification.

  • 9 authors
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May 27

Multiphysics Continuous Shape Optimization of the TAP Reactor Components

The Transatomic Power (TAP) reactor has an unusual design for a molten salt reactor technology, building upon the foundation laid by the Molten Salt Reactor Experiment (MSRE). This design introduces three key modifications to enhance efficiency and compactness: a revised fuel salt composition, an alternative moderator material, and moderator pins surrounded by the molten salt fuel. Unlike traditional solid-fueled reactors that rely on excess positive reactivity at the beginning of life, the TAP concept employs a dynamic approach. The core's design, featuring a cylindrical geometry with square assemblies of moderator rods surrounded by flowing fuel salt, provides flexibility in adjusting the moderator-to-fuel ratio during operation - using movable moderator rods - further adding criticality control capability in addition to the control rods system. Shape optimization of the core can play a crucial role in enhancing performance and efficiency. By applying multiphysics continuous shape optimization techniques to key components, such as the unit cells of the TAP reactor or its moderator assemblies, we can fine-tune the reactor's geometry to achieve optimal performance in key physics like neutronics and thermal hydraulics. We explore this aspect using the optimization module in the Multiphysics Object Oriented Simulation Environment (MOOSE) framework which allows for multiphysics continuous shape optimization. The results reported here illustrate the benefits of applying continuous shape optimization in the design of nuclear reactor components and can help in extending the TAP reactor's performance.

  • 3 authors
·
Feb 2, 2025

ProAct: A Dual-System Framework for Proactive Embodied Social Agents

Embodied social agents have recently advanced in generating synchronized speech and gestures. However, most interactive systems remain fundamentally reactive, responding only to current sensory inputs within a short temporal window. Proactive social behavior, in contrast, requires deliberation over accumulated context and intent inference, which conflicts with the strict latency budget of real-time interaction. We present ProAct, a dual-system framework that reconciles this time-scale conflict by decoupling a low-latency Behavioral System for streaming multimodal interaction from a slower Cognitive System which performs long-horizon social reasoning and produces high-level proactive intentions. To translate deliberative intentions into continuous non-verbal behaviors without disrupting fluency, we introduce a streaming flow-matching model conditioned on intentions via ControlNet. This mechanism supports asynchronous intention injection, enabling seamless transitions between reactive and proactive gestures within a single motion stream. We deploy ProAct on a physical humanoid robot and evaluate both motion quality and interactive effectiveness. In real-world interaction user studies, participants and observers consistently prefer ProAct over reactive variants in perceived proactivity, social presence, and overall engagement, demonstrating the benefits of dual-system proactive control for embodied social interaction.

RobotAPO: Adversarial Physics Preference Optimization for Robotic Manipulation Video Generation

Robotic manipulation videos are increasingly used as visual plans for embodied agents, but optimizing purely for visual plausibility often fails to capture the fragile physical manifold of real-world interactions. Even minor physics-violating errors at the interaction boundary, such as interpenetration or premature object motion, can completely invalidate the inferred timing and pose needed for downstream execution. Because standard supervised fine-tuning lacks the direct pressure to penalize these localized failures, we introduce AgiBot-PhysPref. This rigorously curated 10,000-sample preference dataset isolates condition-matched physics violations, turning the generator's own failure distribution into a foundational signal for physical consistency. Building upon this, we propose RobotAPO, an adversarial physics preference optimization framework operating in the continuous flow-matching denoising space. To prevent the policy from merely memorizing static curated failures, RobotAPO employs a lightweight adversarial counterfactual proposer that learns a condition-dependent, physical-failure-biased direction in denoising space. This encourages the model to explore and better respect the physical interaction boundary, all while maintaining a pure prompt-and-reference inference interface without requiring external structural conditioning. Comprehensive evaluations demonstrate that explicitly correcting these localized physics violations improves downstream robot execution from generated videos. On held-out AgiBot conditions, RobotAPO outperforms the strongest controlled internal baseline in physical consistency by 6.8% hard score and 10.0% soft score. Crucially, in real-robot replay, it translates these physical-consistency gains into a 37.4% relative improvement in task success over the strongest controlled internal baseline.

  • 7 authors
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Oct 6

Large Scale Interactive Motion Forecasting for Autonomous Driving : The Waymo Open Motion Dataset

As autonomous driving systems mature, motion forecasting has received increasing attention as a critical requirement for planning. Of particular importance are interactive situations such as merges, unprotected turns, etc., where predicting individual object motion is not sufficient. Joint predictions of multiple objects are required for effective route planning. There has been a critical need for high-quality motion data that is rich in both interactions and annotation to develop motion planning models. In this work, we introduce the most diverse interactive motion dataset to our knowledge, and provide specific labels for interacting objects suitable for developing joint prediction models. With over 100,000 scenes, each 20 seconds long at 10 Hz, our new dataset contains more than 570 hours of unique data over 1750 km of roadways. It was collected by mining for interesting interactions between vehicles, pedestrians, and cyclists across six cities within the United States. We use a high-accuracy 3D auto-labeling system to generate high quality 3D bounding boxes for each road agent, and provide corresponding high definition 3D maps for each scene. Furthermore, we introduce a new set of metrics that provides a comprehensive evaluation of both single agent and joint agent interaction motion forecasting models. Finally, we provide strong baseline models for individual-agent prediction and joint-prediction. We hope that this new large-scale interactive motion dataset will provide new opportunities for advancing motion forecasting models.

  • 18 authors
·
Apr 19, 2021

WorldExam: Benchmarking World Models from Apparent Appearance to Inherent Reactivity

Controllable video generation models are increasingly being developed as world models. Accordingly, evaluating them in this role extends beyond the apparent appearance of generated videos to the inherent reactivity of the worlds they depict: the ability to infer from the scene state how the world should react and to generate plausible consequences not explicitly described in the input. Yet existing benchmarks mainly assess visual quality or explicit instruction fulfillment by checking whether requested actions and interaction outcomes are realized, leaving inherent reactivity underexamined. We introduce WorldExam, a hierarchical diagnostic benchmark spanning four levels: Visual Quality, Control Adherence, Spatial Consistency, and World Reactivity. It comprises 1,474 cases across eight dedicated tasks and supports unified evaluation of camera-, action-, and language-driven model paradigms. The World Reactivity level evaluates scene-conditioned reactions and goal-directed behaviors beyond what is explicitly specified in the input. Evaluation of 20 representative models reveals a clear capability split. Camera-driven models excel at camera control, but their interfaces do not support dynamic interaction; action-driven models control subjects more precisely but often leave the world unresponsive; and language-driven models perform better on interaction but follow complex controls less faithfully. No model combines broad task coverage with consistently strong performance, showing that high visual quality and explicit instruction fulfillment do not guarantee inherent reactivity.

  • 16 authors
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Aug 2 3

ComFree-Sim: A GPU-Parallelized Analytical Contact Physics Engine for Scalable Contact-Rich Robotics Simulation and Control

Physics simulation for contact-rich robotics is often bottlenecked by contact resolution: mainstream engines enforce non-penetration and Coulomb friction via complementarity constraints or constrained optimization, requiring per-step iterative solves whose cost grows superlinearly with contact density. We present ComFree-Sim, a GPU-parallelized analytical contact physics engine built on complementarity-free contact modeling. ComFree-Sim computes contact impulses in closed form via an impedance-style prediction--correction update in the dual cone of Coulomb friction. Contact computation decouples across contact pairs and becomes separable across cone facets, mapping naturally to GPU kernels and yielding near-linear runtime scaling with the number of contacts. We further extend the formulation to a unified 6D contact model capturing tangential, torsional, and rolling friction, and introduce a practical dual-cone impedance heuristic. ComFree-Sim is implemented in Warp and exposed through a MuJoCo-compatible interface as a drop-in backend alternative to MuJoCo Warp (MJWarp). Experiments benchmark penetration, friction behaviors, stability, and simulation runtime scaling against MJWarp, demonstrating near-linear scaling and 2--3 times higher throughput in dense contact scenes with comparable physical fidelity. We deploy ComFree-Sim in real-time MPC for in-hand dexterous manipulation on a real-world multi-fingered LEAP hand and in dynamics-aware motion retargeting, demonstrating that low-latency simulation yields higher closed-loop success rates and enables practical high-frequency control in contact-rich tasks.

  • 4 authors
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Mar 13

The S2 orbit and tidally disrupted binaries: indications for collisional depletion in the Galactic center

The properties of the stellar cluster surrounding Sagittarius A* can be assessed indirectly through the motion of the S-stars. Specifically, the current accuracy to which the prograde precession of the S2 star is measured allows to place significant constraints on the extended mass enclosed by its orbit. We suggest that high velocity destructive collisions (DCs) offer a natural mechanism for depleting the mass inside the S2 orbit, thus allowing to reconcile the measured precession and the existence of a dense stellar cluster. Such a solution is especially necessary when considering that stars are supplied to the inner part of the cluster by both dynamical relaxation and by stars being captured in tight orbits during tidal disruption of binaries. We use analytic arguments and results from simulations to demonstrate that in order to obtain a precession that is consistent with observations, collisional depletion is necessary if the capture rate is greater than a few 10^{-6} yr^{-1}. We also show that fluctuations arising from the finite number of stars cannot serve as an alternative to DCs for generating consistency with the observed S2 precession. We conclude that astrometric observations of the S-stars provide a meaningful indication that the inner part of our galactic center is shaped by collisional depletion, supporting the hypothesis that DCs occur in galactic nuclei at an astrophysically significant rate.

  • 2 authors
·
Dec 10, 2024

SpriteHand: Real-Time Versatile Hand-Object Interaction with Autoregressive Video Generation

Modeling and synthesizing complex hand-object interactions remains a significant challenge, even for state-of-the-art physics engines. Conventional simulation-based approaches rely on explicitly defined rigid object models and pre-scripted hand gestures, making them inadequate for capturing dynamic interactions with non-rigid or articulated entities such as deformable fabrics, elastic materials, hinge-based structures, furry surfaces, or even living creatures. In this paper, we present SpriteHand, an autoregressive video generation framework for real-time synthesis of versatile hand-object interaction videos across a wide range of object types and motion patterns. SpriteHand takes as input a static object image and a video stream in which the hands are imagined to interact with the virtual object embedded in a real-world scene, and generates corresponding hand-object interaction effects in real time. Our model employs a causal inference architecture for autoregressive generation and leverages a hybrid post-training approach to enhance visual realism and temporal coherence. Our 1.3B model supports real-time streaming generation at around 18 FPS and 640x368 resolution, with an approximate 150 ms latency on a single NVIDIA RTX 5090 GPU, and more than a minute of continuous output. Experiments demonstrate superior visual quality, physical plausibility, and interaction fidelity compared to both generative and engine-based baselines.

  • 7 authors
·
Dec 1, 2025

ScatterPrism: convergence for generative simulation and inverse problems in particle and nuclear physics

High-fidelity simulations and complex inverse problems, such as detector modeling and unfolding, are computationally intensive bottlenecks across subatomic physics, yet essential for accurate physical interpretation. While Conditional Flow Matching (CFM) offers a robust acceleration approach, we demonstrate its standard training loss is fundamentally misleading. Specifically, utilizing a Jefferson Lab Nuclear Physics (NP) kinematic dataset (γp to ρ^0 p to π^+π^- p), we expose that CFM loss plateaus prematurely, obscuring ongoing physical refinement. To verify this disconnect is a dataset-agnostic pathology, we introduce ScatterPrism, an efficient generative surrogate evaluated against both the NP data and synthetic stress tests modeling challenging 1D distribution topologies. Coupling these benchmarks, we establish that physics-informed metrics continue improving long after standard loss converges. Consequently, we propose a multi-metric diagnostic protocol to ensure true kinematic fidelity without data memorization. Driven by NP challenges relevant to the forthcoming Electron-Ion Collider (EIC), this unified machinery has strong potential to extend to High-Energy Physics (HEP) applications, such as jet modeling. Furthermore, the framework holds promise for broader domains requiring rigorous generative reliability, including medical imaging, astrophysics, and quantitative finance.

  • 6 authors
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Jun 4

Observation Timelines for the Potential Lunar Impact of Asteroid 2024 YR4

The near-Earth asteroid 2024 YR4 -- a sim60 m rocky object that was once considered a potential Earth impactor -- has since been ruled out for Earth but retained a sim4.3% probability of striking the Moon in 2032. Such an impact, with equivalent kinetic energy of sim6.5 Mt TNT, is expected to produce a sim1 km crater on the Moon, and will be the most energetic lunar impact event ever recorded in human history. Despite the associated risk, this scenario offers a rare and valuable scientific opportunity. Using a hybrid framework combining Monte Carlo orbital propagation, smoothed particle hydrodynamics (SPH) impact modeling, and N-body ejecta dynamics, we evaluate the physical outcomes and propose the observation timelines of this rare event. Our results suggest an optical flash of visual magnitude from -2.5 to -3 lasting several minutes directly after the impact, followed by hours of infrared afterglow from sim2000 K molten rock cooling to a few hundred K. The associated seismic energy release would lead to a global-scale lunar reverberation (magnitude sim5.0) that can be detectable by modern seismometers. Furthermore, the impact would eject sim10^8 kg of debris that escapes the lunar gravity, with a small fraction reaching Earth to produce a lunar meteor outburst within 100 years. Finally, we integrate these results into a coordinated observation timeline, identifying the best detection windows for ground-based telescopes, lunar orbiters, and surface stations.

  • 7 authors
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Jan 14

MAIA: Anticipating Interaction Anomalies in Contact-Rich Manipulation via Multimodal World Models

Reliable contact-rich manipulation requires detecting execution deviations early enough for corrective action. Yet most monitoring methods are reactive, identifying anomalies only after they become observable. Anticipating such anomalies is challenging because visual observations only partially reveal physical interaction, while planned actions describe intended motion rather than their actual physical consequences. We address this problem with MAIA, a multimodal framework for anomaly anticipation. Its vision-action-force world model learns nominal interaction dynamics and predicts the visual and force responses of planned actions, while a lightweight anomaly head predicts impending interaction anomalies. To enable systematic evaluation, we introduce CRIA, a real-world multimodal dataset of 2,852 trajectories spanning 18 contact-rich manipulation tasks, with frame-level annotations of anomaly onset and evolution. Experiments on both seen and novel tasks show that MAIA achieves more accurate anomaly discrimination than representative baselines while providing earlier warnings, with bACC scores of 0.765 and 0.710 and median anticipation lead times of 28.0 and 25.1 steps, respectively. Moreover, using these predictions for anomaly-aware action selection improves end-to-end task success from 52.6% to 61.5% without retraining the underlying manipulation policy. These results highlight the value of modeling future physical consequences for proactive anomaly anticipation.

  • 5 authors
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Oct 14

PhysisForcing: Physics Reinforced World Simulator for Robotic Manipulation

Video generation models have emerged as a promising paradigm for embodied world simulation. However, both general-domain video generators and robot-specific data fine-tuned models can still produce physically implausible manipulations, including discontinuous motion trajectories and inconsistent robot-object interactions, which limits their reliability as world simulators. Through extensive experiments, we find that such physical instability mainly arises from two factors: deformation of moving objects and implausible spatio-temporal correlations among interacting entities, particularly during contact. Building on this observation, we propose PhysisForcing, a scalable training framework that strengthens physical consistency by focusing supervision on physics-informative regions through joint optimization of pixel-level and semantic-level features. The framework consists of a pixel-level trajectory alignment loss, which supervises DiT features using reference point trajectories, and a semantic-level relational alignment loss, which aligns DiT features with inter-region relations extracted from a frozen video understanding encoder. Extensive experiments on R-Bench, PAI-Bench, and EZS-Bench show that PhysisForcing consistently improves embodied video generation over strong baselines, improving the Wan2.2-I2V-A14B and Cosmos3-Nano base models on R-Bench by 22.3\% and 9.2\% (7.1\% and 3.7\% over vanilla finetuning), with the Cosmos3-Nano variant attaining the best overall score. Beyond generation, as a world model under the WorldArena action-planner protocol it raises the closed-loop success rate from 16.0\% to 24.0\% and further improves downstream policy success, indicating that physically aligned video models yield stronger representations for robotic manipulation.

nvidia NVIDIA
·
Jun 25 1

Revisiting Open-Loop Execution in Robotics: Toward Reactive, Higher-Performing Policies

Action chunking --- the practice of predicting a sequence of actions and executing a prefix open-loop --- has emerged as a key enabler of recent progress in imitation learning for robotic manipulation. However, executing long open-loop prefixes reduces reactivity, limiting policies' ability to correct for errors. Further, the mechanisms underlying these performance benefits remain poorly understood: prior works cite mitigating compounding errors, absorbing inference latency, or smoothing motions, but provide limited controlled evidence or guidance for preserving reactivity. In this work, we argue that long open-loop execution primarily helps short-context policies imitate "non-Markovian demonstrations". Across four simulation and two real-world tasks, we show that expert non-Markovianity strongly shapes the relationship between task success and open-loop execution horizon. Further, we investigate the impact of compounding errors --- the prevailing explanation for long open-loop execution in prior work --- and find that while they matter, expert non-Markovianity has a much stronger impact in our experimental setting. Finally, we show that when policies are provided with a sufficiently long context, open-loop execution is no longer beneficial and the most reactive, closed-loop policies perform best. While imitation learning has seen great success using long open-loop execution, our findings motivate long-context, reactive policies as a more principled and performant paradigm.

  • 6 authors
·
Aug 16

Towards Agentic Intelligence for Materials Science

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.

  • 21 authors
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Jan 29 2

EchoAvatar: Real-time Generative Avatar Animation from Audio Streams

Real-time synthesis of high-fidelity 3D character motion from audio is a pivotal component for next-generation interactive avatars and virtual assistants. However, most existing approaches are limited to offline processing of complete audio sequences or are constrained to specific domains, rarely handling both speech and music effectively. In this paper, we introduce a novel framework designed to generate continuous, coherent full-body motion from streaming speech and music with low latency. Central to our approach is a unified streaming architecture capable of synthesizing continuous motion from incremental audio inputs. We employ a robust training strategy that enforces strong audio dependency, allowing the model to seamlessly generalize across conversational speech and rhythmic music without requiring explicit domain labels or mode switching. Additionally, we explored Reinforcement Learning to refine the quality of online generation. Furthermore, we bridge reactive animation with intent-driven behavior via a tool-call interface that allows upstream Large Language Models to inject explicit semantic control. By combining this controllability with stream audio-driven synthesis, our framework serves as a plug-and-play solution for transforming voice agents into interactive humanoid avatars. Extensive experiments demonstrate that our method outperforms state-of-the-art realtime baselines in motion quality and synchronization while maintaining the flexibility required for live deployment. Our code, pre-trained models, and videos are available at https://robinwitch.github.io/EchoAvatar-Page.

  • 6 authors
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May 26

Learning Dynamics of Continual Learning: A Unified View of Data Attribution, Forgetting, and Plasticity Loss

Modern language models are likely to be updated throughout their lifetime rather than trained once and frozen. Each update therefore participates in a recurring cycle: decide which experience to learn from, understand what that update changes, and remain capable of learning from what comes next. We show that these challenges are governed by the same evolving update--behavior interaction. We derive a token- and layer-wise decomposition of how learning from one token changes another prediction. By separating the softmax force, shared readout geometry, and residual connections, it exposes two interaction channels and yields a forward-computable approximation. Following this interaction through time reveals a unified picture of continual adaptation. Positive interaction identifies useful experience; negative interaction produces either concentrated collision or accumulated erosion; over longer horizons, updates reshape the shared geometry mediating future learning signals, reducing their transmission. These predictions lead to effective data selection, mechanism-specific controls for interference, and a readout-based diagnostic of future learnability whose degradation predicts the benefit of restoring the readout. Across models and training regimes, the same local interaction thus explains both what an update changes now and how learning today changes what can be learned tomorrow. This view connects data attribution, forgetting, and plasticity loss as distinct regimes of the same evolving learning dynamics.

  • 5 authors
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Sep 26 2

A Real-Time Bike-Pedestrian Safety System with Wide-Angle Perception and Evaluation Testbed for Urban Intersections

Collisions between cyclists and pedestrians at urban intersections remain a persistent source of injuries, yet few systems attempt real-time warnings to unequipped road users using commodity hardware. We present a prototype collision warning system that runs on a single edge device with a wide-angle fisheye camera, producing audible and visual alerts at 30\,fps. The system makes four contributions. First, we develop a calibration pipeline for ultra-wide fisheye lenses that overcomes corner-detection failure and optimizer divergence through perspective remapping and direct bundle adjustment. Second, we combine fisheye-aware object detection with a closed-form ground-plane projection via a precomputed lookup table. Third, we introduce a design-time conformance simulation with 24 scripted hazard scenarios, stochastic size-aware detection failures, and a latency sweep showing that a first-order kinematic predictor maintains the mean warning budget above the distracted-pedestrian reaction time across realistic camera latencies. Fourth, we formalize the decision layer as a separable, auditable testbench with explicit deployment gates, contestability mechanisms, and a residual risk register. Under conformance testing with fisheye localization error, the selected pipeline configuration achieves 93.3\% sensitivity and 92.3\% specificity, with a mean warning budget of 3.3\,s. The system design was informed by community-aided design workshops. Code and replication scripts are available at https://github.com/mkturkcan/bikeped.

  • 1 authors
·
Apr 17

STT-Arena: A More Realistic Environment for Tool-Using with Spatio-Temporal Dynamics

Large language models (LLMs) deployed in real-world agentic applications must be capable of replanning and adapting when mid-task disruptions invalidate their prior decisions. Existing dynamic benchmarks primarily measure whether LLMs can detect temporal changes in a timely manner, leaving the complementary challenge of adaptive replanning under spatio-temporal dynamics largely unexplored. We introduce STT-Arena (Spatio-Temporal Tool-Use Arena), a benchmark of 227 high-quality interactive tasks spanning nine spatio-temporal conflict types and four solvability levels. Each task is grounded in a realistic, executable environment equipped with injected spatio-temporal triggers that can abruptly invalidate an ongoing plan, forcing the model to detect the state shift and construct a revised execution strategy. Extensive evaluation of frontier LLMs reveals that even the SOTA proprietary models, including Claude-4.6-Opus, achieves less than 40\% overall accuracies, highlighting the fundamental difficulty of spatio-temporal dynamic reasoning. Systematic analysis of failure trajectories uncovers three recurring error modes of existing models: Stale-State Execution, Misdiagnosis of Dynamic Triggers, and Missing Post-Adaptation Verification. Guided by these findings, we propose an iterative trajectory refinement technique that eliminates these failure patterns from training data, and combine it with online RL to produce STT-Agent-4B which outperforms frontier LLMs on STT-Arena.

  • 8 authors
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May 17

InteractBench: Benchmarking LLMs on Competitive Programming under Unrevealed Information

Competitive programming is increasingly being used to evaluate the algorithmic reasoning capabilities of large language models (LLMs). However, existing benchmarks primarily focus on full-information tasks where all problem inputs are provided upfront. This overlooks a critical dimension of algorithmic reasoning: the ability of generated programs to operate when key information is not revealed upfront. Interactive problems, a distinctive component of competitive programming, embody this challenge. These problems require programs to engage in multi-round interaction with an interactor (a judge program) under strict protocol constraints and limited query budgets, with new information revealed only in response to queries. To address this gap, we introduce InteractBench, a benchmark comprising 322 high-quality interactive problems curated from Codeforces, AtCoder, IOI, and ICPC. Each problem is packaged with executable local interactors, enabling fully offline evaluation. Unlike existing benchmarks, InteractBench assesses whether model-generated code can acquire information and track state dynamically. Our evaluation reveals a significant interaction gap: even the most advanced reasoning models achieve limited success on interactive problems. Beyond success rates, we propose a fine-grained failure taxonomy to diagnose the root causes of these deficiencies. Although algorithmic logic errors remain dominant, protocol violations and query-budget overruns are frequent. Code is available at https://github.com/kmsgk0/InteractBench.

  • 7 authors
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Aug 29

Learning a Particle Dynamics Model with Real-world Videos

Data-driven learning approaches for physics simulation, sometimes referred to as world models, have emerged as promising alternatives to traditional physics simulators due to their differentiable nature. Prior work has demonstrated impressive results in predicting the motions of rigid and non-rigid objects in complex scenes involving multiple interacting bodies. However, these models are typically trained in simulated environments because obtaining perfect state information such as complete scene point clouds and point correspondences over time is challenging in real-world settings. This reliance on synthetic data can limit their applicability when the sim-to-real gap is large. In this work, we aim to overcome these limitations by introducing a novel framework for training neural object dynamics models directly from unlabeled real-world videos. Specifically, we propose to learn a particle-based dynamics model compatible with a Gaussian splatting framework, which operates on dense particles derived from Gaussians (i.e., particles with scales and rotations) and predicts their position and rotation changes over time. The model is trained via rendering supervision, enabling learning from real-world videos without requiring particle-level labeled states. Our model operates directly on dense Gaussians without relying on heuristic subsampling anchor points. To enable this study, we also present a real-world dataset consisting of about 500 videos capturing diverse object interactions.

  • 3 authors
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May 21

Multiplicity dependence of (multi)strange hadrons in oxygen-oxygen collisions at s_{mathrm{NN}}~=~7 TeV using EPOS4 and AMPT

It is anticipated that the Large Hadron Collider (LHC) will collect data from oxygen-oxygen (O+O) collisions at a center-of-mass energy of s_{mathrm{NN}} = 7 TeV to explore the effects observed in high multiplicity proton-proton (p+p) and proton-lead (p+pb) collisions that closely related to lead-lead (Pb+Pb) collisions. These effects include azimuthal asymmetries in particle production, as well as variations in the abundances and momentum distributions across different hadron species, which are indicative of collective particle production mechanisms induced by the interactions in the presence of a QGP. The upcoming data on O+O collisions at the LHC are expected to constrain the model parameters and refine our understanding of theoretical models. In this work, the predicted transverse momentum (p_T) spectra, rapidity density distributions (dN/dy), particle yield ratios, and p_T-differential ratios of (multi)strange hadrons produced in O+O collisions at s_{mathrm{NN}} = 7 TeV using AMPT and EPOS4 models are presented. AMPT focuses on preformed hadronic interactions, while EPOS4 incorporates a QGP phase. Stronger radial flow in EPOS4 as compared to AMPT is also observed. AMPT incorporates some flow effects, but the implementation of full hydrodynamic flow in EPOS4 appears to be significantly more effective in reproducing the existing experimental data. Both models predict the final state multiplicity overlap with p+p, p+pb, and Pb+Pb collisions.

  • 6 authors
·
Nov 22, 2025

Fluctuations and correlations in chemical reaction kinetics and population dynamics

This chapter provides a pedagogical introduction and overview of spatial and temporal correlation and fluctuation effects resulting from the fundamentally stochastic kinetics underlying chemical reactions and the dynamics of populations or epidemics. After reviewing the assumptions and mean-field type approximations involved in the construction of chemical rate equations for uniform reactant densities, we first discuss spatial clustering in birth-death systems, where non-linearities are introduced through either density-limiting pair reactions, or equivalently via local imposition of finite carrying capacities. The competition of offspring production, death, and non-linear inhibition induces a population extinction threshold, which represents a non-equilibrium phase transition that separates active from absorbing states. This continuous transition is characterized by the universal scaling exponents of critical directed percolation clusters. Next we focus on the emergence of depletion zones in single-species annihilation processes and spatial population segregation with the associated reaction fronts in two-species pair annihilation. These strong (anti-)correlation effects are dynamically generated by the underlying stochastic kinetics. Finally, we address noise-induced and fluctuation-stabilized spatio-temporal patterns in basic predator-prey systems, exemplified by spreading activity fronts in the two-species Lotka-Volterra model as well as spiral structures in the May-Leonard variant of cyclically competing three-species systems akin to rock-paper-scissors games.

  • 1 authors
·
Jul 3, 2018

SafetyDrift: Predicting When AI Agents Cross the Line Before They Actually Do

When an LLM agent reads a confidential file, then writes a summary, then emails it externally, no single step is unsafe, but the sequence is a data leak. We call this safety drift: individually safe actions compounding into violations. Prior work has measured this problem; we predict it. SafetyDrift models agent safety trajectories as absorbing Markov chains, computing the probability that a trajectory will reach a violation within a given number of steps via closed form absorption analysis. A consequence of the monotonic state design is that every agent will eventually violate safety if left unsupervised (absorption probability 1.0 from all states), making the practical question not if but when, and motivating our focus on finite horizon prediction. Across 357 traces spanning 40 realistic tasks in four categories, we discover that "points of no return" are sharply task dependent: in communication tasks, agents that reach even a mild risk state have an 85% chance of violating safety within five steps, while in technical tasks the probability stays below 5% from any state. A lightweight monitor built on these models detects 94.7% of violations with 3.7 steps of advance warning at negligible computational cost, outperforming both keyword matching (44.7% detection, 55.9% false positive rate) and per step LLM judges (52.6% detection, 38.2% false positive rate) while running over 60,000x faster.

  • 2 authors
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Mar 27

Accurate generation of chemical reaction transition states by conditional flow matching

Transition state (TS) structures define the critical geometries and energy barriers underlying chemical reactivity, yet their fleeting nature renders them experimentally elusive and drives the reliance on costly, high-throughput density functional theory (DFT) calculations. Here, we introduce TS-GEN, a conditional flow-matching generative model that maps samples from a simple Gaussian prior directly to transition-state saddle-point geometries in a single, deterministic pass. By embedding both reactant and product conformations as conditioning information, TS-GEN learns to transport latent noise to true TS structures via an optimal-transport path, effectively replacing the iterative optimization common in nudged-elastic band or string-method algorithms. TS-GEN delivers unprecedented accuracy, achieving a root-mean-square deviation of 0.004 mathring{A} (vs. 0.103 mathring{A} for prior state-of-the-art) and a mean barrier-height error of 1.019 {rm kcal/mol} (vs. 2.864 {rm kcal/mol}), while requiring only 0.06 {rm s} GPU time per inference. Over 87% of generated TSs meet chemical-accuracy criteria (<1.58 {rm kcal/mol} error), substantially outpacing existing methods. TS-GEN also exhibits strong transferability to out-of-distribution reactions from a larger database. By uniting sub-angstrom precision, sub-second speed, and broad applicability, TS-GEN will be highly useful for high-throughput exploration of complex reaction networks, paving the way to the exploration of novel chemical reaction mechanisms.

  • 3 authors
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Jul 14, 2025