Daily Papers

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann distributions and transition densities. However, conventional MD is fundamentally limited by the high computational cost required to generate independent samples. Generative molecular dynamics (GenMD) has recently emerged as an alternative, learning surrogates of molecular distributions either from data or through interaction with energy models. While these methods enable efficient sampling, their transferability across molecular systems is often limited. In this work, we show that incorporating auxiliary sources of information can improve the data efficiency and generalization of transferable implicit transfer operators (TITO) for molecular dynamics. We find that coarse-grained TITO models are substantially more data-efficient than Boltzmann Emulators, and that incorporating protein language model (pLM) embeddings further improves out-of-distribution generalization. Our approach, PLaTITO, achieves state-of-the-art performance on equilibrium sampling benchmarks for out-of-distribution protein systems, including fast-folding proteins. We further study the impact of additional conditioning signals -- such as structural embeddings, temperature, and large-language-model-derived embeddings -- on model performance.

In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular systems. However, while classical diffusion sampling usually recovers the training distribution, the corresponding energy-based interpretation of the learned score is often inconsistent with this distribution, even for low-dimensional toy systems. We trace this inconsistency to inaccuracies of the learned score at very small diffusion timesteps, where the model must capture the correct evolution of the data distribution. In this regime, diffusion models fail to satisfy the Fokker--Planck equation, which governs the evolution of the score. We interpret this deviation as one source of the observed inconsistencies and propose an energy-based diffusion model with a Fokker--Planck-derived regularization term to enforce consistency. We demonstrate our approach by sampling and simulating multiple biomolecular systems, including fast-folding proteins, and by introducing a state-of-the-art transferable Boltzmann emulator for dipeptides that supports simulation and achieves improved consistency and efficient sampling. Our code, model weights, and self-contained JAX and PyTorch notebooks are available at https://github.com/noegroup/ScoreMD.

The steep computational cost of diffusion models at inference hinders their use as fast physics emulators. In the context of image and video generation, this computational drawback has been addressed by generating in the latent space of an autoencoder instead of the pixel space. In this work, we investigate whether a similar strategy can be effectively applied to the emulation of dynamical systems and at what cost. We find that the accuracy of latent-space emulation is surprisingly robust to a wide range of compression rates (up to 1000x). We also show that diffusion-based emulators are consistently more accurate than non-generative counterparts and compensate for uncertainty in their predictions with greater diversity. Finally, we cover practical design choices, spanning from architectures to optimizers, that we found critical to train latent-space emulators.

We present a neural network emulator to constrain the thermal parameters of the intergalactic medium (IGM) at 5.4z6.0 using the Lyman-displaystylealpha (Lydisplaystylealpha) forest flux auto-correlation function. Our auto-differentiable JAX-based framework accelerates the surrogate model generation process using approximately 100 sparsely sampled Nyx hydrodynamical simulations with varying combinations of thermal parameters, i.e., the temperature at mean density T_{{0}}, the slope of the temperaturedisplaystyle-density relation displaystylegamma, and the mean transmission flux langle{F}{rangle}. We show that this emulator has a typical accuracy of 1.0% across the specified redshift range. Bayesian inference of the IGM thermal parameters, incorporating emulator uncertainty propagation, is further expedited using NumPyro Hamiltonian Monte Carlo. We compare both the inference results and computational cost of our framework with the traditional nearest-neighbor interpolation approach applied to the same set of mock Lyalpha flux. By examining the credibility contours of the marginalized posteriors for T_{{0}},gamma,and{langle}{F}{rangle} obtained using the emulator, the statistical reliability of measurements is established through inference on 100 realistic mock data sets of the auto-correlation function.

Generative models have advanced significantly in sampling material systems with continuous variables, such as atomistic structures. However, their application to discrete variables, like atom types or spin states, remains underexplored. In this work, we introduce a Boltzmann generator built on discrete flow matching, specifically tailored for systems with discrete phase-space coordinates (e.g., the Ising model or crystalline compounds). This approach enables a single model to sample free energy surfaces over a wide temperature range with minimal training overhead. In addition, the model generation is scalable to larger lattice sizes than those in the training set. We demonstrate the effectiveness of our approach on the 2D Ising model, showing efficient and reliable free energy sampling. This framework provides a scalable and computationally efficient solution for discrete coordinate systems and can be extended to sample the alchemical degrees of freedom in crystalline compounds.

Full-complexity Earth system models (ESMs) are computationally very expensive, limiting their use in exploring the climate outcomes of multiple emission pathways. More efficient emulators that approximate ESMs can directly map emissions onto climate outcomes, and benchmarks are being used to evaluate their accuracy on standardized tasks and datasets. We investigate a popular benchmark in data-driven climate emulation, ClimateBench, on which deep learning-based emulators are currently achieving the best performance. We implement a linear regression-based emulator, akin to pattern scaling, and find that it outperforms the incumbent 100M-parameter deep learning foundation model, ClimaX, on 3 out of 4 regionally-resolved surface-level climate variables. While emulating surface temperature is expected to be predominantly linear, this result is surprising for emulating precipitation. We identify that this outcome is a result of high levels of internal variability in the benchmark targets. To address internal variability, we update the benchmark targets with ensemble averages from the MPI-ESM1.2-LR model that contain 50 instead of 3 climate simulations per emission pathway. Using the new targets, we show that linear pattern scaling continues to be more accurate on temperature, but can be outperformed by a deep learning-based model for emulating precipitation. We publish our code, data, and an interactive tutorial at github.com/blutjens/climate-emulator.

Modern cosmological surveys are delivering datasets characterized by unprecedented quality and statistical completeness; this trend is expected to continue into the future as new ground- and space-based surveys come online. In order to maximally extract cosmological information from these observations, matching theoretical predictions are needed. At low redshifts, the surveys probe the nonlinear regime of structure formation where cosmological simulations are the primary means of obtaining the required information. The computational cost of sufficiently resolved large-volume simulations makes it prohibitive to run very large ensembles. Nevertheless, precision emulators built on a tractable number of high-quality simulations can be used to build very fast prediction schemes to enable a variety of cosmological inference studies. We have recently introduced the Mira-Titan Universe simulation suite designed to construct emulators for a range of cosmological probes. The suite covers the standard six cosmological parameters {omega_m,omega_b, sigma_8, h, n_s, w_0} and, in addition, includes massive neutrinos and a dynamical dark energy equation of state, {omega_{nu}, w_a}. In this paper we present the final emulator for the matter power spectrum based on 111 cosmological simulations, each covering a (2.1Gpc)^3 volume and evolving 3200^3 particles. An additional set of 1776 lower-resolution simulations and TimeRG perturbation theory results for the power spectrum are used to cover scales straddling the linear to mildly nonlinear regimes. The emulator provides predictions at the two to three percent level of accuracy over a wide range of cosmological parameters and is publicly released as part of this paper.

Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators tackle this problem by pairing normalizing flows with importance sampling to obtain uncorrelated samples under the target distribution. In this paper, we extend the Boltzmann generator framework with two key contributions, denoting our framework Sequential Boltzmann Generators (SBG). The first is a highly efficient Transformer-based normalizing flow operating directly on all-atom Cartesian coordinates. In contrast to the equivariant continuous flows of prior methods, we leverage exactly invertible non-equivariant architectures which are highly efficient during both sample generation and likelihood evaluation. This efficiency unlocks more sophisticated inference strategies beyond standard importance sampling. In particular, we perform inference-time scaling of flow samples using a continuous-time variant of sequential Monte Carlo, in which flow samples are transported towards the target distribution with annealed Langevin dynamics. SBG achieves state-of-the-art performance w.r.t. all metrics on peptide systems, demonstrating the first equilibrium sampling in Cartesian coordinates of tri-, tetra- and hexa-peptides that were thus far intractable for prior Boltzmann generators.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

Accurately describing the distribution of CO_2 in the atmosphere with atmospheric tracer transport models is essential for greenhouse gas monitoring and verification support systems to aid implementation of international climate agreements. Large deep neural networks are poised to revolutionize weather prediction, which requires 3D modeling of the atmosphere. While similar in this regard, atmospheric transport modeling is subject to new challenges. Both, stable predictions for longer time horizons and mass conservation throughout need to be achieved, while IO plays a larger role compared to computational costs. In this study we explore four different deep neural networks (UNet, GraphCast, Spherical Fourier Neural Operator and SwinTransformer) which have proven as state-of-the-art in weather prediction to assess their usefulness for atmospheric tracer transport modeling. For this, we assemble the CarbonBench dataset, a systematic benchmark tailored for machine learning emulators of Eulerian atmospheric transport. Through architectural adjustments, we decouple the performance of our emulators from the distribution shift caused by a steady rise in atmospheric CO_2. More specifically, we center CO_2 input fields to zero mean and then use an explicit flux scheme and a mass fixer to assure mass balance. This design enables stable and mass conserving transport for over 6 months with all four neural network architectures. In our study, the SwinTransformer displays particularly strong emulation skill (90-day R^2 > 0.99), with physically plausible emulation even for forward runs of multiple years. This work paves the way forward towards high resolution forward and inverse modeling of inert trace gases with neural networks.

The collisionless Boltzmann equation (CBE) is a fundamental equation that governs the dynamics of a broad range of astrophysical systems from space plasma to star clusters and galaxies. It is computationally expensive to integrate the CBE directly in a multi-dimensional phase space, and thus the applications to realistic astrophysical problems have been limited so far. Recently, Todorova & Steijl (2020) proposed an efficient quantum algorithm to solve the CBE with significantly reduced computational complexity. We extend the algorithm to perform quantum simulations of self-gravitating systems, incorporating the method to calculate gravity with the major Fourier modes of the density distribution extracted from the solution-encoding quantum state. Our method improves the dependency of time and space complexities on Nv , the number of grid points in each velocity coordinate, compared to the classical simulation methods. We then conduct some numerical demonstrations of our method. We first run a 1+1 dimensional test calculation of free streaming motion on 64*64 grids using 13 simulated qubits and validate our method. We then perform simulations of Jeans collapse, and compare the result with analytic and linear theory calculations. It will thus allow us to perform large-scale CBE simulations on future quantum computers.

With the success of machine learning (ML) applied to climate reaching further every day, emulators have begun to show promise not only for weather but for multi-year time scales in the atmosphere. Similar work for the ocean remains nascent, with state-of-the-art limited to models running for shorter time scales or only for regions of the globe. In this work, we demonstrate high-skill global emulation for surface ocean fields over 5-8 years of model rollout, accurately representing modes of variability for two different ML architectures (ConvNext and Transformers). In addition, we address the outstanding question of generalization, an essential consideration if the end-use of emulation is to model warming scenarios outside of the model training data. We show that 1) generalization is not an intrinsic feature of a data-driven emulator, 2) fine-tuning the emulator on only small amounts of additional data from a distribution similar to the test set can enable the emulator to perform well in a warmed climate, and 3) the forced emulators are robust to noise in the forcing.

About 90% of the computing resources available to the LHCb experiment has been spent to produce simulated data samples for Run 2 of the Large Hadron Collider at CERN. The upgraded LHCb detector will be able to collect larger data samples, requiring many more simulated events to analyze the data to be collected in Run 3. Simulation is a key necessity of analysis to interpret signal, reject background and measure efficiencies. The needed simulation will far exceed the pledged resources, requiring an evolution in technologies and techniques to produce these simulated data samples. In this contribution, we discuss Lamarr, a Gaudi-based framework to speed-up the simulation production parameterizing both the detector response and the reconstruction algorithms of the LHCb experiment. Deep Generative Models powered by several algorithms and strategies are employed to effectively parameterize the high-level response of the single components of the LHCb detector, encoding within neural networks the experimental errors and uncertainties introduced in the detection and reconstruction phases. Where possible, models are trained directly on real data, statistically subtracting any background components by applying appropriate reweighing procedures. Embedding Lamarr in the general LHCb Gauss Simulation framework allows to combine its execution with any of the available generators in a seamless way. The resulting software package enables a simulation process independent of the detailed simulation used to date.

This work proposes the Lattice Boltzmann Model (LBM) to learn real-world pixel dynamicity for visual tracking. LBM decomposes visual representations into dynamic pixel lattices and solves pixel motion states through collision-streaming processes. Specifically, the high-dimensional distribution of the target pixels is acquired through a multilayer predict-update network to estimate the pixel positions and visibility. The predict stage formulates lattice collisions among the spatial neighborhood of target pixels and develops lattice streaming within the temporal visual context. The update stage rectifies the pixel distributions with online visual representations. Compared with existing methods, LBM demonstrates practical applicability in an online and real-time manner, which can efficiently adapt to real-world visual tracking tasks. Comprehensive evaluations of real-world point tracking benchmarks such as TAP-Vid and RoboTAP validate LBM's efficiency. A general evaluation of large-scale open-world object tracking benchmarks such as TAO, BFT, and OVT-B further demonstrates LBM's real-world practicality.

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic equilibrium. The equilibrium distribution is usually defined by an energy function and a thermodynamic state. Here we propose temperature-steerable flows (TSF) which are able to generate a family of probability densities parametrized by a choosable temperature parameter. TSFs can be embedded in generalized ensemble sampling frameworks to sample a physical system across multiple thermodynamic states.

Accurate and efficient detector simulation is essential for modern collider experiments. To reduce the high computational cost, various fast machine learning surrogate models have been proposed. Traditional surrogate models for calorimeter shower modeling train separate networks for each particle species, limiting scalability and reuse. We introduce AllShowers, a unified generative model that simulates calorimeter showers across multiple particle types using a single generative model. AllShowers is a continuous normalizing flow model with a Transformer architecture, enabling it to generate complex spatial and energy correlations in variable-length point cloud representations of showers. Trained on a diverse dataset of simulated showers in the highly granular ILD detector, the model demonstrates the ability to generate realistic showers for electrons, photons, and charged and neutral hadrons across a wide range of incident energies and angles without retraining. In addition to unifying shower generation for multiple particle types, AllShowers surpasses the fidelity of previous single-particle-type models for hadronic showers. Key innovations include the use of a layer embedding, allowing the model to learn all relevant calorimeter layer properties; a custom attention masking scheme to reduce computational demands and introduce a helpful inductive bias; and a shower- and layer-wise optimal transport mapping to improve training convergence and sample quality. AllShowers marks a significant step towards a universal model for calorimeter shower simulations in collider experiments.

Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the backbone of BAMBOO to learn from quantum mechanical simulations. Additionally, we pioneer an ensemble knowledge distillation approach and apply it on MLFFs to improve the stability of MD simulations. Finally, we propose the density alignment algorithm to align BAMBOO with experimental measurements. BAMBOO demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity across various solvents and salt combinations. Our current model, trained on more than 15 chemical species, achieves the average density error of 0.01 g/cm^3 on various compositions compared with experimental data. Moreover, our model demonstrates transferability to molecules not included in the quantum mechanical dataset. We envision this work as paving the way to a "universal MLFF" capable of simulating properties of common organic liquids.

This paper presents the first comprehensive empirical study demonstrating the efficacy of the Brain Floating Point (BFLOAT16) half-precision format for Deep Learning training across image classification, speech recognition, language modeling, generative networks and industrial recommendation systems. BFLOAT16 is attractive for Deep Learning training for two reasons: the range of values it can represent is the same as that of IEEE 754 floating-point format (FP32) and conversion to/from FP32 is simple. Maintaining the same range as FP32 is important to ensure that no hyper-parameter tuning is required for convergence; e.g., IEEE 754 compliant half-precision floating point (FP16) requires hyper-parameter tuning. In this paper, we discuss the flow of tensors and various key operations in mixed precision training, and delve into details of operations, such as the rounding modes for converting FP32 tensors to BFLOAT16. We have implemented a method to emulate BFLOAT16 operations in Tensorflow, Caffe2, IntelCaffe, and Neon for our experiments. Our results show that deep learning training using BFLOAT16 tensors achieves the same state-of-the-art (SOTA) results across domains as FP32 tensors in the same number of iterations and with no changes to hyper-parameters.

We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce computational costs while preserving fidelity; yet most still fail to satisfy the latency constraints for real-time use and lack support for interactive applications. To bridge this gap, we introduce a novel hybrid method that integrates numerical simulation, neural physics, and generative control. Our neural physics jointly pursues low-latency simulation and high physical fidelity by employing a fallback safeguard to classical numerical solvers. Furthermore, we develop a diffusion-based controller that is trained using a reverse modeling strategy to generate external dynamic force fields for fluid manipulation. Our system demonstrates robust performance across diverse 2D/3D scenarios, material types, and obstacle interactions, achieving real-time simulations at high frame rates (11~29% latency) while enabling fluid control guided by user-friendly freehand sketches. We present a significant step towards practical, controllable, and physically plausible fluid simulations for real-time interactive applications. We promise to release both models and data upon acceptance.

Detailed detector simulation is the major consumer of CPU resources at LHCb, having used more than 90% of the total computing budget during Run 2 of the Large Hadron Collider at CERN. As data is collected by the upgraded LHCb detector during Run 3 of the LHC, larger requests for simulated data samples are necessary, and will far exceed the pledged resources of the experiment, even with existing fast simulation options. An evolution of technologies and techniques to produce simulated samples is mandatory to meet the upcoming needs of analysis to interpret signal versus background and measure efficiencies. In this context, we propose Lamarr, a Gaudi-based framework designed to offer the fastest solution for the simulation of the LHCb detector. Lamarr consists of a pipeline of modules parameterizing both the detector response and the reconstruction algorithms of the LHCb experiment. Most of the parameterizations are made of Deep Generative Models and Gradient Boosted Decision Trees trained on simulated samples or alternatively, where possible, on real data. Embedding Lamarr in the general LHCb Gauss Simulation framework allows combining its execution with any of the available generators in a seamless way. Lamarr has been validated by comparing key reconstructed quantities with Detailed Simulation. Good agreement of the simulated distributions is obtained with two-order-of-magnitude speed-up of the simulation phase.

Novel machine learning methods for tabular data generation are often developed on small datasets which do not match the scale required for scientific applications. We investigate a recent proposal to use XGBoost as the function approximator in diffusion and flow-matching models on tabular data, which proved to be extremely memory intensive, even on tiny datasets. In this work, we conduct a critical analysis of the existing implementation from an engineering perspective, and show that these limitations are not fundamental to the method; with better implementation it can be scaled to datasets 370x larger than previously used. Our efficient implementation also unlocks scaling models to much larger sizes which we show directly leads to improved performance on benchmark tasks. We also propose algorithmic improvements that can further benefit resource usage and model performance, including multi-output trees which are well-suited to generative modeling. Finally, we present results on large-scale scientific datasets derived from experimental particle physics as part of the Fast Calorimeter Simulation Challenge. Code is available at https://github.com/layer6ai-labs/calo-forest.

Existing ML-based atmospheric models are not suitable for climate prediction, which requires long-term stability and physical consistency. We present ACE (AI2 Climate Emulator), a 200M-parameter, autoregressive machine learning emulator of an existing comprehensive 100-km resolution global atmospheric model. The formulation of ACE allows evaluation of physical laws such as the conservation of mass and moisture. The emulator is stable for 100 years, nearly conserves column moisture without explicit constraints and faithfully reproduces the reference model's climate, outperforming a challenging baseline on over 90% of tracked variables. ACE requires nearly 100x less wall clock time and is 100x more energy efficient than the reference model using typically available resources. Without fine-tuning, ACE can stably generalize to a previously unseen historical sea surface temperature dataset.

We present Jamba, a new base large language model based on a novel hybrid Transformer-Mamba mixture-of-experts (MoE) architecture. Specifically, Jamba interleaves blocks of Transformer and Mamba layers, enjoying the benefits of both model families. MoE is added in some of these layers to increase model capacity while keeping active parameter usage manageable. This flexible architecture allows resource- and objective-specific configurations. In the particular configuration we have implemented, we end up with a powerful model that fits in a single 80GB GPU. Built at large scale, Jamba provides high throughput and small memory footprint compared to vanilla Transformers, and at the same time state-of-the-art performance on standard language model benchmarks and long-context evaluations. Remarkably, the model presents strong results for up to 256K tokens context length. We study various architectural decisions, such as how to combine Transformer and Mamba layers, and how to mix experts, and show that some of them are crucial in large scale modeling. We also describe several interesting properties of these architectures which the training and evaluation of Jamba have revealed, and plan to release checkpoints from various ablation runs, to encourage further exploration of this novel architecture. We make the weights of our implementation of Jamba publicly available under a permissive license.

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules and constitute an important step towards the modeling of distributions of many interacting molecules.

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with timesteps on the order of femtoseconds (1fs=10^{-15}s). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of 10^{5} - 10^{6}:fs. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids) at all-atom resolution, exploring their metastable states and providing wall-clock acceleration of sampling compared to standard MD. Our method constitutes an important step towards general, transferable algorithms for accelerating MD.

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each presents its unique limitations and generally balances training cost, numerical accuracy, and ease of applicability to different problem setups. To address these limitations, we introduce several methods to apply latent diffusion models to physics simulation. Firstly, we introduce a mesh autoencoder to compress arbitrarily discretized PDE data, allowing for efficient diffusion training across various physics. Furthermore, we investigate full spatio-temporal solution generation to mitigate autoregressive error accumulation. Lastly, we investigate conditioning on initial physical quantities, as well as conditioning solely on a text prompt to introduce text2PDE generation. We show that language can be a compact, interpretable, and accurate modality for generating physics simulations, paving the way for more usable and accessible PDE solvers. Through experiments on both uniform and structured grids, we show that the proposed approach is competitive with current neural PDE solvers in both accuracy and efficiency, with promising scaling behavior up to sim3 billion parameters. By introducing a scalable, accurate, and usable physics simulator, we hope to bring neural PDE solvers closer to practical use.

Video generation models have achieved remarkable progress in creating high-quality, photorealistic content. However, their ability to accurately simulate physical phenomena remains a critical and unresolved challenge. This paper presents PhyWorldBench, a comprehensive benchmark designed to evaluate video generation models based on their adherence to the laws of physics. The benchmark covers multiple levels of physical phenomena, ranging from fundamental principles like object motion and energy conservation to more complex scenarios involving rigid body interactions and human or animal motion. Additionally, we introduce a novel ""Anti-Physics"" category, where prompts intentionally violate real-world physics, enabling the assessment of whether models can follow such instructions while maintaining logical consistency. Besides large-scale human evaluation, we also design a simple yet effective method that could utilize current MLLM to evaluate the physics realism in a zero-shot fashion. We evaluate 12 state-of-the-art text-to-video generation models, including five open-source and five proprietary models, with a detailed comparison and analysis. we identify pivotal challenges models face in adhering to real-world physics. Through systematic testing of their outputs across 1,050 curated prompts-spanning fundamental, composite, and anti-physics scenarios-we identify pivotal challenges these models face in adhering to real-world physics. We then rigorously examine their performance on diverse physical phenomena with varying prompt types, deriving targeted recommendations for crafting prompts that enhance fidelity to physical principles.

We address the problem of biased gradient estimation in deep Boltzmann machines (DBMs). The existing method to obtain an unbiased estimator uses a maximal coupling based on a Gibbs sampler, but when the state is high-dimensional, it takes a long time to converge. In this study, we propose to use a coupling based on the Metropolis-Hastings (MH) and to initialize the state around a local mode of the target distribution. Because of the propensity of MH to reject proposals, the coupling tends to converge in only one step with a high probability, leading to high efficiency. We find that our method allows DBMs to be trained in an end-to-end fashion without greedy pretraining. We also propose some practical techniques to further improve the performance of DBMs. We empirically demonstrate that our training algorithm enables DBMs to show comparable generative performance to other deep generative models, achieving the FID score of 10.33 for MNIST.

AI emulators for forecasting have emerged as powerful tools that can outperform conventional numerical predictions. The next frontier is to build emulators for long-term climate projections with robust skill across a wide range of spatiotemporal scales, a particularly important goal for the ocean. Our work builds a skillful global emulator of the ocean component of a state-of-the-art climate model. We emulate key ocean variables, sea surface height, horizontal velocities, temperature, and salinity, across their full depth. We use a modified ConvNeXt UNet architecture trained on multidepth levels of ocean data. We show that the ocean emulator - Samudra - which exhibits no drift relative to the truth, can reproduce the depth structure of ocean variables and their interannual variability. Samudra is stable for centuries and 150 times faster than the original ocean model. Samudra struggles to capture the correct magnitude of the forcing trends and simultaneously remains stable, requiring further work.

As inference-time scaling becomes critical for enhanced reasoning capabilities, it is increasingly becoming important to build models that are efficient to infer. We introduce Nemotron-H, a family of 8B and 56B/47B hybrid Mamba-Transformer models designed to reduce inference cost for a given accuracy level. To achieve this goal, we replace the majority of self-attention layers in the common Transformer model architecture with Mamba layers that perform constant computation and require constant memory per generated token. We show that Nemotron-H models offer either better or on-par accuracy compared to other similarly-sized state-of-the-art open-sourced Transformer models (e.g., Qwen-2.5-7B/72B and Llama-3.1-8B/70B), while being up to 3times faster at inference. To further increase inference speed and reduce the memory required at inference time, we created Nemotron-H-47B-Base from the 56B model using a new compression via pruning and distillation technique called MiniPuzzle. Nemotron-H-47B-Base achieves similar accuracy to the 56B model, but is 20% faster to infer. In addition, we introduce an FP8-based training recipe and show that it can achieve on par results with BF16-based training. This recipe is used to train the 56B model. All Nemotron-H models will be released, with support in Hugging Face, NeMo, and Megatron-LM.

Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome this challenge, we introduce the flow perturbation method, which incorporates optimized stochastic perturbations into the flow. By reweighting trajectories generated by the perturbed flow, our method achieves unbiased sampling of the Boltzmann distribution with orders of magnitude speedup compared to both brute force Jacobian calculations and the Hutchinson estimator. Notably, it accurately sampled the Chignolin protein with all atomic Cartesian coordinates explicitly represented, which, to our best knowledge, is the largest molecule ever Boltzmann sampled in such detail using generative models.

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

At high-energy collider experiments, generative models can be used for a wide range of tasks, including fast detector simulations, unfolding, searches of physics beyond the Standard Model, and inference tasks. In particular, it has been demonstrated that score-based diffusion models can generate high-fidelity and accurate samples of jets or collider events. This work expands on previous generative models in three distinct ways. First, our model is trained to generate entire collider events, including all particle species with complete kinematic information. We quantify how well the model learns event-wide constraints such as the conservation of momentum and discrete quantum numbers. We focus on the events at the future Electron-Ion Collider, but we expect that our results can be extended to proton-proton and heavy-ion collisions. Second, previous generative models often relied on image-based techniques. The sparsity of the data can negatively affect the fidelity and sampling time of the model. We address these issues using point clouds and a novel architecture combining edge creation with transformer modules called Point Edge Transformers. Third, we adapt the foundation model OmniLearn, to generate full collider events. This approach may indicate a transition toward adapting and fine-tuning foundation models for downstream tasks instead of training new models from scratch.

Deep Boltzmann machines (DBMs), one of the first ``deep'' learning methods ever studied, are multi-layered probabilistic models governed by a pairwise energy function that describes the likelihood of all variables/nodes in the network. In practice, DBMs are often constrained, i.e., via the restricted Boltzmann machine (RBM) architecture (which does not permit intra-layer connections), in order to allow for more efficient inference. In this work, we revisit the generic DBM approach, and ask the question: are there other possible restrictions to their design that would enable efficient (approximate) inference? In particular, we develop a new class of restricted model, the monotone DBM, which allows for arbitrary self-connection in each layer, but restricts the weights in a manner that guarantees the existence and global uniqueness of a mean-field fixed point. To do this, we leverage tools from the recently-proposed monotone Deep Equilibrium model and show that a particular choice of activation results in a fixed-point iteration that gives a variational mean-field solution. While this approach is still largely conceptual, it is the first architecture that allows for efficient approximate inference in fully-general weight structures for DBMs. We apply this approach to simple deep convolutional Boltzmann architectures and demonstrate that it allows for tasks such as the joint completion and classification of images, within a single deep probabilistic setting, while avoiding the pitfalls of mean-field inference in traditional RBMs.

Recent advancements in large language models (LLMs) have driven interest in billion-scale retrieval models with strong generalization across retrieval tasks and languages. Additionally, progress in large vision-language models has created new opportunities for multimodal retrieval. In response, we have updated the Tevatron toolkit, introducing a unified pipeline that enables researchers to explore retriever models at different scales, across multiple languages, and with various modalities. This demo paper highlights the toolkit's key features, bridging academia and industry by supporting efficient training, inference, and evaluation of neural retrievers. We showcase a unified dense retriever achieving strong multilingual and multimodal effectiveness, and conduct a cross-modality zero-shot study to demonstrate its research potential. Alongside, we release OmniEmbed, to the best of our knowledge, the first embedding model that unifies text, image document, video, and audio retrieval, serving as a baseline for future research.

We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids. First, we train a denoising neural network that learns to map from a smooth distribution of noisy molecules to the distribution of real molecules. Then, we follow the neural empirical Bayes framework [Saremi and Hyvarinen, 2019] and generate molecules in two steps: (i) sample noisy density grids from a smooth distribution via underdamped Langevin Markov chain Monte Carlo, and (ii) recover the ``clean'' molecule by denoising the noisy grid with a single step. Our method, VoxMol, generates molecules in a fundamentally different way than the current state of the art (i.e., diffusion models applied to atom point clouds). It differs in terms of the data representation, the noise model, the network architecture and the generative modeling algorithm. VoxMol achieves comparable results to state of the art on unconditional 3D molecule generation while being simpler to train and faster to generate molecules.

Molecules are frequently represented as graphs, but the underlying 3D molecular geometry (the locations of the atoms) ultimately determines most molecular properties. However, most molecules are not static and at room temperature adopt a wide variety of geometries or conformations. The resulting distribution on geometries p(x) is known as the Boltzmann distribution, and many molecular properties are expectations computed under this distribution. Generating accurate samples from the Boltzmann distribution is therefore essential for computing these expectations accurately. Traditional sampling-based methods are computationally expensive, and most recent machine learning-based methods have focused on identifying modes in this distribution rather than generating true samples. Generating such samples requires capturing conformational variability, and it has been widely recognized that the majority of conformational variability in molecules arises from rotatable bonds. In this work, we present VonMisesNet, a new graph neural network that captures conformational variability via a variational approximation of rotatable bond torsion angles as a mixture of von Mises distributions. We demonstrate that VonMisesNet can generate conformations for arbitrary molecules in a way that is both physically accurate with respect to the Boltzmann distribution and orders of magnitude faster than existing sampling methods.

While autoregressive machine-learning-based emulators have been trained to produce stable and accurate rollouts in the climate of the present-day and recent past, none so far have been trained to emulate the sensitivity of climate to substantial changes in CO_2 or other greenhouse gases. As an initial step we couple the Ai2 Climate Emulator version 2 to a slab ocean model (hereafter ACE2-SOM) and train it on output from a collection of equilibrium-climate physics-based reference simulations with varying levels of CO_2. We test it in equilibrium and non-equilibrium climate scenarios with CO_2 concentrations seen and unseen in training. ACE2-SOM performs well in equilibrium-climate inference with both in-sample and out-of-sample CO_2 concentrations, accurately reproducing the emergent time-mean spatial patterns of surface temperature and precipitation change with CO_2 doubling, tripling, or quadrupling. In addition, the vertical profile of atmospheric warming and change in extreme precipitation rates with increased CO_2 closely agree with the reference model. Non-equilibrium-climate inference is more challenging. With CO_2 increasing gradually at a rate of 2% year^{-1}, ACE2-SOM can accurately emulate the global annual mean trends of surface and lower-to-middle atmosphere fields but produces unphysical jumps in stratospheric fields. With an abrupt quadrupling of CO_2, ML-controlled fields transition unrealistically quickly to the 4xCO_2 regime. In doing so they violate global energy conservation and exhibit unphysical sensitivities of and surface and top of atmosphere radiative fluxes to instantaneous changes in CO_2. Future emulator development needed to address these issues should improve its generalizability to diverse climate change scenarios.

We present IMU-1, a 430M-parameter language model trained on 72B tokens that approaches the benchmark performance of models trained on 56x more data. We describe a validated training recipe combining recent architectural interventions (QK-norm attention, per-head gating, value residuals, LayerNorm scaling) with optimization advances (NorMuon with cautious weight decay, muP parametrization) and a three-stage training schedule with post-hoc checkpoint EMA. We provide ablations for each component and release code, weights and data to enable reproduction: https://huggingface.co/thepowerfuldeez/imu1_base

Large Foundation Models like Dust3r can produce high quality outputs such as pointmaps, camera intrinsics, and depth estimation, given stereo-image pairs as input. However, the application of these outputs on tasks like Visual Localization requires a large amount of inference time and compute resources. To address these limitations, in this paper, we propose the use of a knowledge distillation pipeline, where we aim to build a student-teacher model with Dust3r as the teacher and explore multiple architectures of student models that are trained using the 3D reconstructed points output by Dust3r. Our goal is to build student models that can learn scene-specific representations and output 3D points with replicable performance such as Dust3r. The data set we used to train our models is 12Scenes. We test two main architectures of models: a CNN-based architecture and a Vision Transformer based architecture. For each architecture, we also compare the use of pre-trained models against models built from scratch. We qualitatively compare the reconstructed 3D points output by the student model against Dust3r's and discuss the various features learned by the student model. We also perform ablation studies on the models through hyperparameter tuning. Overall, we observe that the Vision Transformer presents the best performance visually and quantitatively.

Energy-Based Models (EBMs) have emerged as a powerful framework in the realm of generative modeling, offering a unique perspective that aligns closely with principles of statistical mechanics. This review aims to provide physicists with a comprehensive understanding of EBMs, delineating their connection to other generative models such as Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and Normalizing Flows. We explore the sampling techniques crucial for EBMs, including Markov Chain Monte Carlo (MCMC) methods, and draw parallels between EBM concepts and statistical mechanics, highlighting the significance of energy functions and partition functions. Furthermore, we delve into state-of-the-art training methodologies for EBMs, covering recent advancements and their implications for enhanced model performance and efficiency. This review is designed to clarify the often complex interconnections between these models, which can be challenging due to the diverse communities working on the topic.

Recently, partial Bayesian neural networks (pBNNs), which only consider a subset of the parameters to be stochastic, were shown to perform competitively with full Bayesian neural networks. However, pBNNs are often multi-modal in the latent-variable space and thus challenging to approximate with parametric models. To address this problem, we propose an efficient sampling-based training strategy, wherein the training of a pBNN is formulated as simulating a Feynman--Kac model. We then describe variations of sequential Monte Carlo samplers that allow us to simultaneously estimate the parameters and the latent posterior distribution of this model at a tractable computational cost. We show on various synthetic and real-world datasets that our proposed training scheme outperforms the state of the art in terms of predictive performance.

Efficiently digitizing high-fidelity animatable human avatars from videos is a challenging and active research topic. Recent volume rendering-based neural representations open a new way for human digitization with their friendly usability and photo-realistic reconstruction quality. However, they are inefficient for long optimization times and slow inference speed; their implicit nature results in entangled geometry, materials, and dynamics of humans, which are hard to edit afterward. Such drawbacks prevent their direct applicability to downstream applications, especially the prominent rasterization-based graphic ones. We present EMA, a method that Efficiently learns Meshy neural fields to reconstruct animatable human Avatars. It jointly optimizes explicit triangular canonical mesh, spatial-varying material, and motion dynamics, via inverse rendering in an end-to-end fashion. Each above component is derived from separate neural fields, relaxing the requirement of a template, or rigging. The mesh representation is highly compatible with the efficient rasterization-based renderer, thus our method only takes about an hour of training and can render in real-time. Moreover, only minutes of optimization is enough for plausible reconstruction results. The disentanglement of meshes enables direct downstream applications. Extensive experiments illustrate the very competitive performance and significant speed boost against previous methods. We also showcase applications including novel pose synthesis, material editing, and relighting. The project page: https://xk-huang.github.io/ema/.

Current video generation models produce high-quality aesthetic videos but often struggle to learn representations of real-world physics dynamics, resulting in artifacts such as unnatural object collisions, inconsistent gravity, and temporal flickering. In this work, we propose PhysVideoGenerator, a proof-of-concept framework that explicitly embeds a learnable physics prior into the video generation process. We introduce a lightweight predictor network, PredictorP, which regresses high-level physical features extracted from a pre-trained Video Joint Embedding Predictive Architecture (V-JEPA 2) directly from noisy diffusion latents. These predicted physics tokens are injected into the temporal attention layers of a DiT-based generator (Latte) via a dedicated cross-attention mechanism. Our primary contribution is demonstrating the technical feasibility of this joint training paradigm: we show that diffusion latents contain sufficient information to recover V-JEPA 2 physical representations, and that multi-task optimization remains stable over training. This report documents the architectural design, technical challenges, and validation of training stability, establishing a foundation for future large-scale evaluation of physics-aware generative models.

Deploying massive diffusion models for real-time, infinite-duration, audio-driven avatar generation presents a significant engineering challenge, primarily due to the conflict between computational load and strict latency constraints. Existing approaches often compromise visual fidelity by enforcing strictly unidirectional attention mechanisms or reducing model capacity. To address this problem, we introduce SoulX-FlashTalk, a 14B-parameter framework optimized for high-fidelity real-time streaming. Diverging from conventional unidirectional paradigms, we use a Self-correcting Bidirectional Distillation strategy that retains bidirectional attention within video chunks. This design preserves critical spatiotemporal correlations, significantly enhancing motion coherence and visual detail. To ensure stability during infinite generation, we incorporate a Multi-step Retrospective Self-Correction Mechanism, enabling the model to autonomously recover from accumulated errors and preventing collapse. Furthermore, we engineered a full-stack inference acceleration suite incorporating hybrid sequence parallelism, Parallel VAE, and kernel-level optimizations. Extensive evaluations confirm that SoulX-FlashTalk is the first 14B-scale system to achieve a sub-second start-up latency (0.87s) while reaching a real-time throughput of 32 FPS, setting a new standard for high-fidelity interactive digital human synthesis.

Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks such as climate model emulation, downscaling, and prediction tasks. Many of those tasks have been addressed on datasets created with single climate models. However, both the climate science and ML communities have suggested that to address those tasks at scale, we need large, consistent, and ML-ready climate model datasets. Here, we introduce ClimateSet, a dataset containing the inputs and outputs of 36 climate models from the Input4MIPs and CMIP6 archives. In addition, we provide a modular dataset pipeline for retrieving and preprocessing additional climate models and scenarios. We showcase the potential of our dataset by using it as a benchmark for ML-based climate model emulation. We gain new insights about the performance and generalization capabilities of the different ML models by analyzing their performance across different climate models. Furthermore, the dataset can be used to train an ML emulator on several climate models instead of just one. Such a "super emulator" can quickly project new climate change scenarios, complementing existing scenarios already provided to policymakers. We believe ClimateSet will create the basis needed for the ML community to tackle climate-related tasks at scale.

Yume aims to use images, text, or videos to create an interactive, realistic, and dynamic world, which allows exploration and control using peripheral devices or neural signals. In this report, we present a preview version of \method, which creates a dynamic world from an input image and allows exploration of the world using keyboard actions. To achieve this high-fidelity and interactive video world generation, we introduce a well-designed framework, which consists of four main components, including camera motion quantization, video generation architecture, advanced sampler, and model acceleration. First, we quantize camera motions for stable training and user-friendly interaction using keyboard inputs. Then, we introduce the Masked Video Diffusion Transformer~(MVDT) with a memory module for infinite video generation in an autoregressive manner. After that, training-free Anti-Artifact Mechanism (AAM) and Time Travel Sampling based on Stochastic Differential Equations (TTS-SDE) are introduced to the sampler for better visual quality and more precise control. Moreover, we investigate model acceleration by synergistic optimization of adversarial distillation and caching mechanisms. We use the high-quality world exploration dataset \sekai to train \method, and it achieves remarkable results in diverse scenes and applications. All data, codebase, and model weights are available on https://github.com/stdstu12/YUME. Yume will update monthly to achieve its original goal. Project page: https://stdstu12.github.io/YUME-Project/.

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the use of costly data and improve the generalization ability. However, these physics constraints, based on certain finite dimensional approximations over the function space, must resolve the smallest scaled physics to ensure the accuracy and stability of the simulation, resulting in high computational costs from large input, output, and neural networks. This paper proposes a general acceleration methodology called NeuralStagger by spatially and temporally decomposing the original learning tasks into several coarser-resolution subtasks. We define a coarse-resolution neural solver for each subtask, which requires fewer computational resources, and jointly train them with the vanilla physics-constrained loss by simply arranging their outputs to reconstruct the original solution. Due to the perfect parallelism between them, the solution is achieved as fast as a coarse-resolution neural solver. In addition, the trained solvers bring the flexibility of simulating with multiple levels of resolution. We demonstrate the successful application of NeuralStagger on 2D and 3D fluid dynamics simulations, which leads to an additional 10sim100times speed-up. Moreover, the experiment also shows that the learned model could be well used for optimal control.

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite temperature using three deep generative models: a normalizing flow model that represents the Boltzmann distribution of the classical nuclei, an autoregressive transformer that models the distribution of electrons in excited states, and a permutational equivariant flow model that constructs backflow coordinates for electrons in Hartree-Fock orbitals. By jointly optimizing the three neural networks to minimize the variational free energy, we obtain the equation of state and related thermodynamic properties of dense hydrogen. We compare our results with other theoretical and experimental results on the deuterium Hugoniot curve, aiming to resolve existing discrepancies. The calculated results provide a valuable benchmark for deuterium in the warm dense matter region.

Current video generation models cannot simulate physical consequences of 3D actions like forces and robotic manipulations, as they lack structural understanding of how actions affect 3D scenes. We present RealWonder, the first real-time system for action-conditioned video generation from a single image. Our key insight is using physics simulation as an intermediate bridge: instead of directly encoding continuous actions, we translate them through physics simulation into visual representations (optical flow and RGB) that video models can process. RealWonder integrates three components: 3D reconstruction from single images, physics simulation, and a distilled video generator requiring only 4 diffusion steps. Our system achieves 13.2 FPS at 480x832 resolution, enabling interactive exploration of forces, robot actions, and camera controls on rigid objects, deformable bodies, fluids, and granular materials. We envision RealWonder opens new opportunities to apply video models in immersive experiences, AR/VR, and robot learning. Our code and model weights are publicly available in our project website: https://liuwei283.github.io/RealWonder/

The neurons of artificial neural networks were originally invented when much less was known about biological neurons than is known today. Our work explores a modification to the core neuron unit to make it more parallel to a biological neuron. The modification is made with the knowledge that biological dendrites are not simply passive activation funnels, but also compute complex non-linear functions as they transmit activation to the cell body. The paper explores a novel system of "Perforated" backpropagation empowering the artificial neurons of deep neural networks to achieve better performance coding for the same features they coded for in the original architecture. After an initial network training phase, additional "Dendrite Nodes" are added to the network and separately trained with a different objective: to correlate their output with the remaining error of the original neurons. The trained Dendrite Nodes are then frozen, and the original neurons are further trained, now taking into account the additional error signals provided by the Dendrite Nodes. The cycle of training the original neurons and then adding and training Dendrite Nodes can be repeated several times until satisfactory performance is achieved. Our algorithm was successfully added to modern state-of-the-art PyTorch networks across multiple domains, improving upon original accuracies and allowing for significant model compression without a loss in accuracy.

Modeling the dynamics of deformable objects is challenging due to their diverse physical properties and the difficulty of estimating states from limited visual information. We address these challenges with a neural dynamics framework that combines object particles and spatial grids in a hybrid representation. Our particle-grid model captures global shape and motion information while predicting dense particle movements, enabling the modeling of objects with varied shapes and materials. Particles represent object shapes, while the spatial grid discretizes the 3D space to ensure spatial continuity and enhance learning efficiency. Coupled with Gaussian Splattings for visual rendering, our framework achieves a fully learning-based digital twin of deformable objects and generates 3D action-conditioned videos. Through experiments, we demonstrate that our model learns the dynamics of diverse objects -- such as ropes, cloths, stuffed animals, and paper bags -- from sparse-view RGB-D recordings of robot-object interactions, while also generalizing at the category level to unseen instances. Our approach outperforms state-of-the-art learning-based and physics-based simulators, particularly in scenarios with limited camera views. Furthermore, we showcase the utility of our learned models in model-based planning, enabling goal-conditioned object manipulation across a range of tasks. The project page is available at https://kywind.github.io/pgnd .

The landscape of high-performance image generation models is currently dominated by proprietary systems, such as Nano Banana Pro and Seedream 4.0. Leading open-source alternatives, including Qwen-Image, Hunyuan-Image-3.0 and FLUX.2, are characterized by massive parameter counts (20B to 80B), making them impractical for inference, and fine-tuning on consumer-grade hardware. To address this gap, we propose Z-Image, an efficient 6B-parameter foundation generative model built upon a Scalable Single-Stream Diffusion Transformer (S3-DiT) architecture that challenges the "scale-at-all-costs" paradigm. By systematically optimizing the entire model lifecycle -- from a curated data infrastructure to a streamlined training curriculum -- we complete the full training workflow in just 314K H800 GPU hours (approx. $630K). Our few-step distillation scheme with reward post-training further yields Z-Image-Turbo, offering both sub-second inference latency on an enterprise-grade H800 GPU and compatibility with consumer-grade hardware (<16GB VRAM). Additionally, our omni-pre-training paradigm also enables efficient training of Z-Image-Edit, an editing model with impressive instruction-following capabilities. Both qualitative and quantitative experiments demonstrate that our model achieves performance comparable to or surpassing that of leading competitors across various dimensions. Most notably, Z-Image exhibits exceptional capabilities in photorealistic image generation and bilingual text rendering, delivering results that rival top-tier commercial models, thereby demonstrating that state-of-the-art results are achievable with significantly reduced computational overhead. We publicly release our code, weights, and online demo to foster the development of accessible, budget-friendly, yet state-of-the-art generative models.

As large language models continue to scale in size rapidly, so too does the computational power required to run them. Event-based networks on neuromorphic devices offer a potential way to reduce energy consumption for inference significantly. However, to date, most event-based networks that can run on neuromorphic hardware, including spiking neural networks (SNNs), have not achieved task performance even on par with LSTM models for language modeling. As a result, language modeling on neuromorphic devices has seemed a distant prospect. In this work, we demonstrate the first-ever implementation of a language model on a neuromorphic device - specifically the SpiNNaker 2 chip - based on a recently published event-based architecture called the EGRU. SpiNNaker 2 is a many-core neuromorphic chip designed for large-scale asynchronous processing, while the EGRU is architected to leverage such hardware efficiently while maintaining competitive task performance. This implementation marks the first time a neuromorphic language model matches LSTMs, setting the stage for taking task performance to the level of large language models. We also demonstrate results on a gesture recognition task based on inputs from a DVS camera. Overall, our results showcase the feasibility of this neuro-inspired neural network in hardware, highlighting significant gains versus conventional hardware in energy efficiency for the common use case of single batch inference.

Neural Radiance Fields (NeRF) methods have proved effective as compact, high-quality and versatile representations for 3D scenes, and enable downstream tasks such as editing, retrieval, navigation, etc. Various neural architectures are vying for the core structure of NeRF, including the plain Multi-Layer Perceptron (MLP), sparse tensors, low-rank tensors, hashtables and their compositions. Each of these representations has its particular set of trade-offs. For example, the hashtable-based representations admit faster training and rendering but their lack of clear geometric meaning hampers downstream tasks like spatial-relation-aware editing. In this paper, we propose Progressive Volume Distillation (PVD), a systematic distillation method that allows any-to-any conversions between different architectures, including MLP, sparse or low-rank tensors, hashtables and their compositions. PVD consequently empowers downstream applications to optimally adapt the neural representations for the task at hand in a post hoc fashion. The conversions are fast, as distillation is progressively performed on different levels of volume representations, from shallower to deeper. We also employ special treatment of density to deal with its specific numerical instability problem. Empirical evidence is presented to validate our method on the NeRF-Synthetic, LLFF and TanksAndTemples datasets. For example, with PVD, an MLP-based NeRF model can be distilled from a hashtable-based Instant-NGP model at a 10X~20X faster speed than being trained the original NeRF from scratch, while achieving a superior level of synthesis quality. Code is available at https://github.com/megvii-research/AAAI2023-PVD.

Physical principles are fundamental to realistic visual simulation, but remain a significant oversight in transformer-based video generation. This gap highlights a critical limitation in rendering rigid body motion, a core tenet of classical mechanics. While computer graphics and physics-based simulators can easily model such collisions using Newton formulas, modern pretrain-finetune paradigms discard the concept of object rigidity during pixel-level global denoising. Even perfectly correct mathematical constraints are treated as suboptimal solutions (i.e., conditions) during model optimization in post-training, fundamentally limiting the physical realism of generated videos. Motivated by these considerations, we introduce, for the first time, a physics-aware reinforcement learning paradigm for video generation models that enforces physical collision rules directly in high-dimensional spaces, ensuring the physics knowledge is strictly applied rather than treated as conditions. Subsequently, we extend this paradigm to a unified framework, termed Mimicry-Discovery Cycle (MDcycle), which allows substantial fine-tuning while fully preserving the model's ability to leverage physics-grounded feedback. To validate our approach, we construct new benchmark PhysRVGBench and perform extensive qualitative and quantitative experiments to thoroughly assess its effectiveness.

This work addresses the problem of real-time rendering of photorealistic human body avatars learned from multi-view videos. While the classical approaches to model and render virtual humans generally use a textured mesh, recent research has developed neural body representations that achieve impressive visual quality. However, these models are difficult to render in real-time and their quality degrades when the character is animated with body poses different than the training observations. We propose an animatable human model based on 3D Gaussian Splatting, that has recently emerged as a very efficient alternative to neural radiance fields. The body is represented by a set of gaussian primitives in a canonical space which is deformed with a coarse to fine approach that combines forward skinning and local non-rigid refinement. We describe how to learn our Human Gaussian Splatting (HuGS) model in an end-to-end fashion from multi-view observations, and evaluate it against the state-of-the-art approaches for novel pose synthesis of clothed body. Our method achieves 1.5 dB PSNR improvement over the state-of-the-art on THuman4 dataset while being able to render in real-time (80 fps for 512x512 resolution).

Machine learning-based surrogate models have emerged as a powerful tool to accelerate simulation-driven scientific workflows. However, their widespread adoption is hindered by the lack of large-scale, diverse, and standardized datasets tailored to physics-based simulations. While existing initiatives provide valuable contributions, many are limited in scope-focusing on specific physics domains, relying on fragmented tooling, or adhering to overly simplistic datamodels that restrict generalization. To address these limitations, we introduce PLAID (Physics-Learning AI Datamodel), a flexible and extensible framework for representing and sharing datasets of physics simulations. PLAID defines a unified standard for describing simulation data and is accompanied by a library for creating, reading, and manipulating complex datasets across a wide range of physical use cases (gitlab.com/drti/plaid). We release six carefully crafted datasets under the PLAID standard, covering structural mechanics and computational fluid dynamics, and provide baseline benchmarks using representative learning methods. Benchmarking tools are made available on Hugging Face, enabling direct participation by the community and contribution to ongoing evaluation efforts (huggingface.co/PLAIDcompetitions).

Virtual try-on has garnered interest as a neural rendering benchmark task to evaluate complex object transfer and scene composition. Recent works in virtual clothing try-on feature a plethora of possible architectural and data representation choices. However, they present little clarity on quantifying the isolated visual effect of each choice, nor do they specify the hyperparameter details that are key to experimental reproduction. Our work, ShineOn, approaches the try-on task from a bottom-up approach and aims to shine light on the visual and quantitative effects of each experiment. We build a series of scientific experiments to isolate effective design choices in video synthesis for virtual clothing try-on. Specifically, we investigate the effect of different pose annotations, self-attention layer placement, and activation functions on the quantitative and qualitative performance of video virtual try-on. We find that DensePose annotations not only enhance face details but also decrease memory usage and training time. Next, we find that attention layers improve face and neck quality. Finally, we show that GELU and ReLU activation functions are the most effective in our experiments despite the appeal of newer activations such as Swish and Sine. We will release a well-organized code base, hyperparameters, and model checkpoints to support the reproducibility of our results. We expect our extensive experiments and code to greatly inform future design choices in video virtual try-on. Our code may be accessed at https://github.com/andrewjong/ShineOn-Virtual-Tryon.

Motivated by the growing demand for low-precision arithmetic in computational science, we exploit lower-precision emulation in Python -- widely regarded as the dominant programming language for numerical analysis and machine learning. Low-precision training has revolutionized deep learning by enabling more efficient computation and reduced memory and energy consumption while maintaining model fidelity. To better enable numerical experimentation with and exploration of low precision computation, we developed the Pychop library, which supports customizable floating-point formats and a comprehensive set of rounding modes in Python, allowing users to benefit from fast, low-precision emulation in numerous applications. Pychop also introduces interfaces for both PyTorch and JAX, enabling efficient low-precision emulation on GPUs for neural network training and inference with unparalleled flexibility. In this paper, we offer a comprehensive exposition of the design, implementation, validation, and practical application of Pychop, establishing it as a foundational tool for advancing efficient mixed-precision algorithms. Furthermore, we present empirical results on low-precision emulation for image classification and object detection using published datasets, illustrating the sensitivity of the use of low precision and offering valuable insights into its impact. Pychop enables in-depth investigations into the effects of numerical precision, facilitates the development of novel hardware accelerators, and integrates seamlessly into existing deep learning workflows. Software and experimental code are publicly available at https://github.com/inEXASCALE/pychop.

The existence of a plethora of language models makes the problem of selecting the best one for a custom task challenging. Most state-of-the-art methods leverage transformer-based models (e.g., BERT) or their variants. Training such models and exploring their hyperparameter space, however, is computationally expensive. Prior work proposes several neural architecture search (NAS) methods that employ performance predictors (e.g., surrogate models) to address this issue; however, analysis has been limited to homogeneous models that use fixed dimensionality throughout the network. This leads to sub-optimal architectures. To address this limitation, we propose a suite of heterogeneous and flexible models, namely FlexiBERT, that have varied encoder layers with a diverse set of possible operations and different hidden dimensions. For better-posed surrogate modeling in this expanded design space, we propose a new graph-similarity-based embedding scheme. We also propose a novel NAS policy, called BOSHNAS, that leverages this new scheme, Bayesian modeling, and second-order optimization, to quickly train and use a neural surrogate model to converge to the optimal architecture. A comprehensive set of experiments shows that the proposed policy, when applied to the FlexiBERT design space, pushes the performance frontier upwards compared to traditional models. FlexiBERT-Mini, one of our proposed models, has 3% fewer parameters than BERT-Mini and achieves 8.9% higher GLUE score. A FlexiBERT model with equivalent performance as the best homogeneous model achieves 2.6x smaller size. FlexiBERT-Large, another proposed model, achieves state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents substantial advancements in the TorchMD-Net software, a pivotal step forward in the shift from conventional force fields to neural network-based potentials. The evolution of TorchMD-Net into a more comprehensive and versatile framework is highlighted, incorporating cutting-edge architectures such as TensorNet. This transformation is achieved through a modular design approach, encouraging customized applications within the scientific community. The most notable enhancement is a significant improvement in computational efficiency, achieving a very remarkable acceleration in the computation of energy and forces for TensorNet models, with performance gains ranging from 2-fold to 10-fold over previous iterations. Other enhancements include highly optimized neighbor search algorithms that support periodic boundary conditions and the smooth integration with existing molecular dynamics frameworks. Additionally, the updated version introduces the capability to integrate physical priors, further enriching its application spectrum and utility in research. The software is available at https://github.com/torchmd/torchmd-net.

Video generation models have emerged as high-fidelity models of the physical world, capable of synthesizing high-quality videos capturing fine-grained interactions between agents and their environments conditioned on multi-modal user inputs. Their impressive capabilities address many of the long-standing challenges faced by physics-based simulators, driving broad adoption in many problem domains, e.g., robotics. For example, video models enable photorealistic, physically consistent deformable-body simulation without making prohibitive simplifying assumptions, which is a major bottleneck in physics-based simulation. Moreover, video models can serve as foundation world models that capture the dynamics of the world in a fine-grained and expressive way. They thus overcome the limited expressiveness of language-only abstractions in describing intricate physical interactions. In this survey, we provide a review of video models and their applications as embodied world models in robotics, encompassing cost-effective data generation and action prediction in imitation learning, dynamics and rewards modeling in reinforcement learning, visual planning, and policy evaluation. Further, we highlight important challenges hindering the trustworthy integration of video models in robotics, which include poor instruction following, hallucinations such as violations of physics, and unsafe content generation, in addition to fundamental limitations such as significant data curation, training, and inference costs. We present potential future directions to address these open research challenges to motivate research and ultimately facilitate broader applications, especially in safety-critical settings.

Traditional numerical global climate models simulate the full Earth system by exchanging boundary conditions between separate simulators of the atmosphere, ocean, sea ice, land surface, and other geophysical processes. This paradigm allows for distributed development of individual components within a common framework, unified by a coupler that handles translation between realms via spatial or temporal alignment and flux exchange. Following a similar approach adapted for machine learning-based emulators, we present SamudrACE: a coupled global climate model emulator which produces centuries-long simulations at 1-degree horizontal, 6-hourly atmospheric, and 5-daily oceanic resolution, with 145 2D fields spanning 8 atmospheric and 19 oceanic vertical levels, plus sea ice, surface, and top-of-atmosphere variables. SamudrACE is highly stable and has low climate biases comparable to those of its components with prescribed boundary forcing, with realistic variability in coupled climate phenomena such as ENSO that is not possible to simulate in uncoupled mode.

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

Pretrained neural networks have attracted significant interest in chemistry and small molecule drug design. Embeddings from these models are widely used for molecular property prediction, virtual screening, and small data learning in molecular chemistry. This study presents the most extensive comparison of such models to date, evaluating 25 models across 25 datasets. Under a fair comparison framework, we assess models spanning various modalities, architectures, and pretraining strategies. Using a dedicated hierarchical Bayesian statistical testing model, we arrive at a surprising result: nearly all neural models show negligible or no improvement over the baseline ECFP molecular fingerprint. Only the CLAMP model, which is also based on molecular fingerprints, performs statistically significantly better than the alternatives. These findings raise concerns about the evaluation rigor in existing studies. We discuss potential causes, propose solutions, and offer practical recommendations.

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.

We investigate how to enhance the physical fidelity of video generation models by leveraging synthetic videos derived from computer graphics pipelines. These rendered videos respect real-world physics, such as maintaining 3D consistency, and serve as a valuable resource that can potentially improve video generation models. To harness this potential, we propose a solution that curates and integrates synthetic data while introducing a method to transfer its physical realism to the model, significantly reducing unwanted artifacts. Through experiments on three representative tasks emphasizing physical consistency, we demonstrate its efficacy in enhancing physical fidelity. While our model still lacks a deep understanding of physics, our work offers one of the first empirical demonstrations that synthetic video enhances physical fidelity in video synthesis. Website: https://kevinz8866.github.io/simulation/

Scaling generative AI models is bottlenecked by the scarcity of high-quality training data. The ease of synthesizing from a generative model suggests using (unverified) synthetic data to augment a limited corpus of real data for the purpose of fine-tuning in the hope of improving performance. Unfortunately, however, the resulting positive feedback loop leads to model autophagy disorder (MAD, aka model collapse) that results in a rapid degradation in sample quality and/or diversity. In this paper, we introduce Neon (for Negative Extrapolation frOm self-traiNing), a new learning method that turns the degradation from self-training into a powerful signal for self-improvement. Given a base model, Neon first fine-tunes it on its own self-synthesized data but then, counterintuitively, reverses its gradient updates to extrapolate away from the degraded weights. We prove that Neon works because typical inference samplers that favor high-probability regions create a predictable anti-alignment between the synthetic and real data population gradients, which negative extrapolation corrects to better align the model with the true data distribution. Neon is remarkably easy to implement via a simple post-hoc merge that requires no new real data, works effectively with as few as 1k synthetic samples, and typically uses less than 1% additional training compute. We demonstrate Neon's universality across a range of architectures (diffusion, flow matching, autoregressive, and inductive moment matching models) and datasets (ImageNet, CIFAR-10, and FFHQ). In particular, on ImageNet 256x256, Neon elevates the xAR-L model to a new state-of-the-art FID of 1.02 with only 0.36% additional training compute. Code is available at https://github.com/SinaAlemohammad/Neon

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an atomistic model for glass-forming liquids. This is a notoriously difficult task, as it amounts to ergodically exploring the complex free energy landscape of a disordered and frustrated many-body system. We optimize a normalizing flow model to successfully transform high-temperature configurations of a dense liquid into low-temperature ones, near the glass transition. We perform a detailed comparative analysis with established enhanced sampling techniques developed in the physics literature to assess and rank the performance of normalizing flows against state-of-the-art algorithms. We demonstrate that machine learning methods are very promising, showing a large speedup over conventional molecular dynamics. Normalizing flows show performances comparable to parallel tempering and population annealing, while still falling far behind the swap Monte Carlo algorithm. Our study highlights the potential of generative machine learning models in scientific computing for complex systems, but also points to some of its current limitations and the need for further improvement.

In this paper we propose WaveGlow: a flow-based network capable of generating high quality speech from mel-spectrograms. WaveGlow combines insights from Glow and WaveNet in order to provide fast, efficient and high-quality audio synthesis, without the need for auto-regression. WaveGlow is implemented using only a single network, trained using only a single cost function: maximizing the likelihood of the training data, which makes the training procedure simple and stable. Our PyTorch implementation produces audio samples at a rate of more than 500 kHz on an NVIDIA V100 GPU. Mean Opinion Scores show that it delivers audio quality as good as the best publicly available WaveNet implementation. All code will be made publicly available online.

The large-scale visual pretraining has significantly improve the performance of large vision models. However, we observe the low FLOPs pitfall that the existing low-FLOPs models cannot benefit from large-scale pretraining. In this paper, we propose a general design principle of adding more parameters while maintaining low FLOPs for large-scale visual pretraining, named as ParameterNet. Dynamic convolutions are used for instance to equip the networks with more parameters and only slightly increase the FLOPs. The proposed ParameterNet scheme enables low-FLOPs networks to benefit from large-scale visual pretraining. Experiments on the large-scale ImageNet-22K have shown the superiority of our ParameterNet scheme. For example, ParameterNet-600M can achieve higher accuracy than the widely-used Swin Transformer (81.6\% vs. 80.9\%) and has much lower FLOPs (0.6G vs. 4.5G). The code will be released as soon (MindSpore: https://gitee.com/mindspore/models, PyTorch: https://github.com/huawei-noah/Efficient-AI-Backbones).

The rapid advancement of deep learning has facilitated the automated processing of electron microscopy (EM) big data stacks. However, designing a framework that eliminates manual labeling and adapts to domain gaps remains challenging. Current research remains entangled in the dilemma of pursuing complete automation while still requiring simulations or slight manual annotations. Here we demonstrate tandem generative adversarial network (tGAN), a fully label-free and simulation-free pipeline capable of generating EM images for computer vision training. The tGAN can assimilate key features from new data stacks, thus producing a tailored virtual dataset for the training of automated EM analysis tools. Using segmenting nanoparticles for analyzing size distribution of supported catalysts as the demonstration, our findings showcased that the recognition accuracy of tGAN even exceeds the manually-labeling method by 5%. It can also be adaptively deployed to various data domains without further manual manipulation, which is verified by transfer learning from HAADF-STEM to BF-TEM. This generalizability may enable it to extend its application to a broader range of imaging characterizations, liberating microscopists and materials scientists from tedious dataset annotations.

We present TensorCircuit-NG, a next-generation quantum software platform designed to bridge the gap between quantum physics, artificial intelligence, and high-performance computing. Moving beyond the scope of traditional circuit simulators, TensorCircuit-NG establishes a unified, tensor-native programming paradigm where quantum circuits, tensor networks, and neural networks fuse into a single, end-to-end differentiable computational graph. Built upon industry-standard machine learning backends (JAX, TensorFlow, PyTorch), the framework introduces comprehensive capabilities for approximate circuit simulation, analog dynamics, fermion Gaussian states, qudit systems, and scalable noise modeling. To tackle the exponential complexity of deep quantum circuits, TensorCircuit-NG implements advanced distributed computing strategies, including automated data parallelism and model-parallel tensor network slicing. We validate these capabilities on GPU clusters, demonstrating a near-linear speedup in distributed variational quantum algorithms. TensorCircuit-NG enables flagship applications, including end-to-end QML for CIFAR-100 computer vision, efficient pipelines from quantum states to neural networks via classical shadows, and differentiable optimization of tensor network states for many-body physics.

Flow-based generative models (Dinh et al., 2014) are conceptually attractive due to tractability of the exact log-likelihood, tractability of exact latent-variable inference, and parallelizability of both training and synthesis. In this paper we propose Glow, a simple type of generative flow using an invertible 1x1 convolution. Using our method we demonstrate a significant improvement in log-likelihood on standard benchmarks. Perhaps most strikingly, we demonstrate that a generative model optimized towards the plain log-likelihood objective is capable of efficient realistic-looking synthesis and manipulation of large images. The code for our model is available at https://github.com/openai/glow

Decoder-only large language model (LLM)-based embedding models are beginning to outperform BERT or T5-based embedding models in general-purpose text embedding tasks, including dense vector-based retrieval. In this work, we introduce the NV-Embed model with a variety of architectural designs and training procedures to significantly enhance the performance of LLM as a versatile embedding model, while maintaining its simplicity and reproducibility. For model architecture, we propose a latent attention layer to obtain pooled embeddings, which consistently improves retrieval and downstream task accuracy compared to mean pooling or using the last <EOS> token embedding from LLMs. To enhance representation learning, we remove the causal attention mask of LLMs during contrastive training. For model training, we introduce a two-stage contrastive instruction-tuning method. It first applies contrastive training with instructions on retrieval datasets, utilizing in-batch negatives and curated hard negative examples. At stage-2, it blends various non-retrieval datasets into instruction tuning, which not only enhances non-retrieval task accuracy but also improves retrieval performance. Combining these techniques, our NV-Embed model, using only publicly available data, has achieved a record-high score of 69.32, ranking No. 1 on the Massive Text Embedding Benchmark (MTEB) (as of May 24, 2024), with 56 tasks, encompassing retrieval, reranking, classification, clustering, and semantic textual similarity tasks. Notably, our model also attains the highest score of 59.36 on 15 retrieval tasks in the MTEB benchmark (also known as BEIR). We will open-source the model at: https://huggingface.co/nvidia/NV-Embed-v1.

This work focuses on developing parameter-efficient and lightweight models for dense predictions while trading off parameters, FLOPs, and performance. Our goal is to set up the new frontier of the 5M magnitude lightweight model on various downstream tasks. Inverted Residual Block (IRB) serves as the infrastructure for lightweight CNNs, but no counterparts have been recognized by attention-based design. Our work rethinks the lightweight infrastructure of efficient IRB and practical components in Transformer from a unified perspective, extending CNN-based IRB to attention-based models and abstracting a one-residual Meta Mobile Block (MMBlock) for lightweight model design. Following neat but effective design criterion, we deduce a modern Improved Inverted Residual Mobile Block (i2RMB) and improve a hierarchical Efficient MOdel (EMOv2) with no elaborate complex structures. Considering the imperceptible latency for mobile users when downloading models under 4G/5G bandwidth and ensuring model performance, we investigate the performance upper limit of lightweight models with a magnitude of 5M. Extensive experiments on various vision recognition, dense prediction, and image generation tasks demonstrate the superiority of our EMOv2 over state-of-the-art methods, e.g., EMOv2-1M/2M/5M achieve 72.3, 75.8, and 79.4 Top-1 that surpass equal-order CNN-/Attention-based models significantly. At the same time, EMOv2-5M equipped RetinaNet achieves 41.5 mAP for object detection tasks that surpasses the previous EMO-5M by +2.6. When employing the more robust training recipe, our EMOv2-5M eventually achieves 82.9 Top-1 accuracy, which elevates the performance of 5M magnitude models to a new level. Code is available at https://github.com/zhangzjn/EMOv2.

We introduce PDE-Transformer, an improved transformer-based architecture for surrogate modeling of physics simulations on regular grids. We combine recent architectural improvements of diffusion transformers with adjustments specific for large-scale simulations to yield a more scalable and versatile general-purpose transformer architecture, which can be used as the backbone for building large-scale foundation models in physical sciences. We demonstrate that our proposed architecture outperforms state-of-the-art transformer architectures for computer vision on a large dataset of 16 different types of PDEs. We propose to embed different physical channels individually as spatio-temporal tokens, which interact via channel-wise self-attention. This helps to maintain a consistent information density of tokens when learning multiple types of PDEs simultaneously. We demonstrate that our pre-trained models achieve improved performance on several challenging downstream tasks compared to training from scratch and also beat other foundation model architectures for physics simulations.

Recent advances in neural rendering have improved both training and rendering times by orders of magnitude. While these methods demonstrate state-of-the-art quality and speed, they are designed for photogrammetry of static scenes and do not generalize well to freely moving humans in the environment. In this work, we introduce Human Gaussian Splats (HUGS) that represents an animatable human together with the scene using 3D Gaussian Splatting (3DGS). Our method takes only a monocular video with a small number of (50-100) frames, and it automatically learns to disentangle the static scene and a fully animatable human avatar within 30 minutes. We utilize the SMPL body model to initialize the human Gaussians. To capture details that are not modeled by SMPL (e.g. cloth, hairs), we allow the 3D Gaussians to deviate from the human body model. Utilizing 3D Gaussians for animated humans brings new challenges, including the artifacts created when articulating the Gaussians. We propose to jointly optimize the linear blend skinning weights to coordinate the movements of individual Gaussians during animation. Our approach enables novel-pose synthesis of human and novel view synthesis of both the human and the scene. We achieve state-of-the-art rendering quality with a rendering speed of 60 FPS while being ~100x faster to train over previous work. Our code will be announced here: https://github.com/apple/ml-hugs

Translating complex reinforcement learning (RL) environments into high-performance implementations has traditionally required months of specialized engineering. We present a reusable recipe - a generic prompt template, hierarchical verification, and iterative agent-assisted repair - that produces semantically equivalent high-performance environments for <$10 in compute cost. We demonstrate three distinct workflows across five environments. Direct translation (no prior performance implementation exists): EmuRust (1.5x PPO speedup via Rust parallelism for a Game Boy emulator) and PokeJAX, the first GPU-parallel Pokemon battle simulator (500M SPS random action, 15.2M SPS PPO; 22,320x over the TypeScript reference). Translation verified against existing performance implementations: throughput parity with MJX (1.04x) and 5x over Brax at matched GPU batch sizes (HalfCheetah JAX); 42x PPO (Puffer Pong). New environment creation: TCGJax, the first deployable JAX Pokemon TCG engine (717K SPS random action, 153K SPS PPO; 6.6x over the Python reference), synthesized from a web-extracted specification. At 200M parameters, the environment overhead drops below 4% of training time. Hierarchical verification (property, interaction, and rollout tests) confirms semantic equivalence for all five environments; cross-backend policy transfer confirms zero sim-to-sim gap for all five environments. TCGJax, synthesized from a private reference absent from public repositories, serves as a contamination control for agent pretraining data concerns. The paper contains sufficient detail - including representative prompts, verification methodology, and complete results - that a coding agent could reproduce the translations directly from the manuscript.

Neural rendering, particularly 3D Gaussian Splatting (3DGS), has evolved rapidly and become a key component for building world models. However, existing viewer solutions remain fragmented, heavy, or constrained by legacy pipelines, resulting in high deployment friction and limited support for dynamic content and generative models. In this work, we present Visionary, an open, web-native platform for real-time various Gaussian Splatting and meshes rendering. Built on an efficient WebGPU renderer with per-frame ONNX inference, Visionary enables dynamic neural processing while maintaining a lightweight, "click-to-run" browser experience. It introduces a standardized Gaussian Generator contract, which not only supports standard 3DGS rendering but also allows plug-and-play algorithms to generate or update Gaussians each frame. Such inference also enables us to apply feedforward generative post-processing. The platform further offers a plug in three.js library with a concise TypeScript API for seamless integration into existing web applications. Experiments show that, under identical 3DGS assets, Visionary achieves superior rendering efficiency compared to current Web viewers due to GPU-based primitive sorting. It already supports multiple variants, including MLP-based 3DGS, 4DGS, neural avatars, and style transformation or enhancement networks. By unifying inference and rendering directly in the browser, Visionary significantly lowers the barrier to reproduction, comparison, and deployment of 3DGS-family methods, serving as a unified World Model Carrier for both reconstructive and generative paradigms.

Recent 3D large reconstruction models (LRMs) can generate high-quality 3D content in sub-seconds by integrating multi-view diffusion models with scalable multi-view reconstructors. Current works further leverage 3D Gaussian Splatting as 3D representation for improved visual quality and rendering efficiency. However, we observe that existing Gaussian reconstruction models often suffer from multi-view inconsistency and blurred textures. We attribute this to the compromise of multi-view information propagation in favor of adopting powerful yet computationally intensive architectures (e.g., Transformers). To address this issue, we introduce MVGamba, a general and lightweight Gaussian reconstruction model featuring a multi-view Gaussian reconstructor based on the RNN-like State Space Model (SSM). Our Gaussian reconstructor propagates causal context containing multi-view information for cross-view self-refinement while generating a long sequence of Gaussians for fine-detail modeling with linear complexity. With off-the-shelf multi-view diffusion models integrated, MVGamba unifies 3D generation tasks from a single image, sparse images, or text prompts. Extensive experiments demonstrate that MVGamba outperforms state-of-the-art baselines in all 3D content generation scenarios with approximately only 0.1times of the model size.

Physical understanding remains brittle in omni-modal models because key physical attributes are visually ambiguous and sparsely represented in web-scale data. We present OmniFysics, a compact omni-modal model that unifies understanding across images, audio, video, and text, with integrated speech and image generation. To inject explicit physical knowledge, we build a physical data engine with two components. FysicsAny produces physics-grounded instruction--image supervision by mapping salient objects to verified physical attributes through hierarchical retrieval over a curated prototype database, followed by physics-law--constrained verification and caption rewriting. FysicsOmniCap distills web videos via audio--visual consistency filtering to generate high-fidelity video--instruction pairs emphasizing cross-modal physical cues. We train OmniFysics with staged multimodal alignment and instruction tuning, adopt latent-space flow matching for text-to-image generation, and use an intent router to activate generation only when needed. Experiments show competitive performance on standard multimodal benchmarks and improved results on physics-oriented evaluations.

Recent work on Neural Radiance Fields (NeRF) showed how neural networks can be used to encode complex 3D environments that can be rendered photorealistically from novel viewpoints. Rendering these images is very computationally demanding and recent improvements are still a long way from enabling interactive rates, even on high-end hardware. Motivated by scenarios on mobile and mixed reality devices, we propose FastNeRF, the first NeRF-based system capable of rendering high fidelity photorealistic images at 200Hz on a high-end consumer GPU. The core of our method is a graphics-inspired factorization that allows for (i) compactly caching a deep radiance map at each position in space, (ii) efficiently querying that map using ray directions to estimate the pixel values in the rendered image. Extensive experiments show that the proposed method is 3000 times faster than the original NeRF algorithm and at least an order of magnitude faster than existing work on accelerating NeRF, while maintaining visual quality and extensibility.

Data-driven deep learning models are transforming global weather forecasting. It is an open question if this success can extend to climate modeling, where the complexity of the data and long inference rollouts pose significant challenges. Here, we present the first conditional generative model that produces accurate and physically consistent global climate ensemble simulations by emulating a coarse version of the United States' primary operational global forecast model, FV3GFS. Our model integrates the dynamics-informed diffusion framework (DYffusion) with the Spherical Fourier Neural Operator (SFNO) architecture, enabling stable 100-year simulations at 6-hourly timesteps while maintaining low computational overhead compared to single-step deterministic baselines. The model achieves near gold-standard performance for climate model emulation, outperforming existing approaches and demonstrating promising ensemble skill. This work represents a significant advance towards efficient, data-driven climate simulations that can enhance our understanding of the climate system and inform adaptation strategies.

Simulating atomic-scale processes, such as protein dynamics and catalytic reactions, is crucial for advancements in biology, chemistry, and materials science. Machine learning force fields (MLFFs) have emerged as powerful tools that achieve near quantum mechanical accuracy, with promising generalization capabilities. However, their practical use is often limited by long inference times compared to classical force fields, especially when running extensive molecular dynamics (MD) simulations required for many biological applications. In this study, we introduce BoostMD, a surrogate model architecture designed to accelerate MD simulations. BoostMD leverages node features computed at previous time steps to predict energies and forces based on positional changes. This approach reduces the complexity of the learning task, allowing BoostMD to be both smaller and significantly faster than conventional MLFFs. During simulations, the computationally intensive reference MLFF is evaluated only every N steps, while the lightweight BoostMD model handles the intermediate steps at a fraction of the computational cost. Our experiments demonstrate that BoostMD achieves an eight-fold speedup compared to the reference model and generalizes to unseen dipeptides. Furthermore, we find that BoostMD accurately samples the ground-truth Boltzmann distribution when running molecular dynamics. By combining efficient feature reuse with a streamlined architecture, BoostMD offers a robust solution for conducting large-scale, long-timescale molecular simulations, making high-accuracy ML-driven modeling more accessible and practical.

Transforming static images into interactive experiences remains a challenging task in computer vision. Tackling this challenge holds the potential to elevate mobile user experiences, notably through interactive and AR/VR applications. Current approaches aim to achieve this either using pre-recorded video responses or requiring multi-view images as input. In this paper, we present PhysID, that streamlines the creation of physics-based interactive dynamics from a single-view image by leveraging large generative models for 3D mesh generation and physical property prediction. This significantly reduces the expertise required for engineering-intensive tasks like 3D modeling and intrinsic property calibration, enabling the process to be scaled with minimal manual intervention. We integrate an on-device physics-based engine for physically plausible real-time rendering with user interactions. PhysID represents a leap forward in mobile-based interactive dynamics, offering real-time, non-deterministic interactions and user-personalization with efficient on-device memory consumption. Experiments evaluate the zero-shot capabilities of various Multimodal Large Language Models (MLLMs) on diverse tasks and the performance of 3D reconstruction models. These results demonstrate the cohesive functioning of all modules within the end-to-end framework, contributing to its effectiveness.

Hyperbolic neural networks have shown great potential for modeling complex data. However, existing hyperbolic networks are not completely hyperbolic, as they encode features in a hyperbolic space yet formalize most of their operations in the tangent space (a Euclidean subspace) at the origin of the hyperbolic space. This hybrid method greatly limits the modeling ability of networks. In this paper, we propose a fully hyperbolic framework to build hyperbolic networks based on the Lorentz model by adapting the Lorentz transformations (including boost and rotation) to formalize essential operations of neural networks. Moreover, we also prove that linear transformation in tangent spaces used by existing hyperbolic networks is a relaxation of the Lorentz rotation and does not include the boost, implicitly limiting the capabilities of existing hyperbolic networks. The experimental results on four NLP tasks show that our method has better performance for building both shallow and deep networks. Our code will be released to facilitate follow-up research.

Modern day conversational agents are trained to emulate the manner in which humans communicate. To emotionally bond with the user, these virtual agents need to be aware of the affective state of the user. Transformers are the recent state of the art in sequence-to-sequence learning that involves training an encoder-decoder model with word embeddings from utterance-response pairs. We propose an emotion-aware transformer encoder for capturing the emotional quotient in the user utterance in order to generate human-like empathetic responses. The contributions of our paper are as follows: 1) An emotion detector module trained on the input utterances determines the affective state of the user in the initial phase 2) A novel transformer encoder is proposed that adds and normalizes the word embedding with emotion embedding thereby integrating the semantic and affective aspects of the input utterance 3) The encoder and decoder stacks belong to the Transformer-XL architecture which is the recent state of the art in language modeling. Experimentation on the benchmark Facebook AI empathetic dialogue dataset confirms the efficacy of our model from the higher BLEU-4 scores achieved for the generated responses as compared to existing methods. Emotionally intelligent virtual agents are now a reality and inclusion of affect as a modality in all human-machine interfaces is foreseen in the immediate future.

Recent advances in text-to-image synthesis largely benefit from sophisticated sampling strategies and classifier-free guidance (CFG) to ensure high-quality generation. However, CFG's reliance on two forward passes, especially when combined with intricate sampling algorithms, results in prohibitively high inference costs. To address this, we introduce TeEFusion (Text Embeddings Fusion), a novel and efficient distillation method that directly incorporates the guidance magnitude into the text embeddings and distills the teacher model's complex sampling strategy. By simply fusing conditional and unconditional text embeddings using linear operations, TeEFusion reconstructs the desired guidance without adding extra parameters, simultaneously enabling the student model to learn from the teacher's output produced via its sophisticated sampling approach. Extensive experiments on state-of-the-art models such as SD3 demonstrate that our method allows the student to closely mimic the teacher's performance with a far simpler and more efficient sampling strategy. Consequently, the student model achieves inference speeds up to 6times faster than the teacher model, while maintaining image quality at levels comparable to those obtained through the teacher's complex sampling approach. The code is publicly available at https://github.com/AIDC-AI/TeEFusion{github.com/AIDC-AI/TeEFusion}.

Markov jump processes are continuous-time stochastic processes with a wide range of applications in both natural and social sciences. Despite their widespread use, inference in these models is highly non-trivial and typically proceeds via either Monte Carlo or expectation-maximization methods. In this work we introduce an alternative, variational inference algorithm for Markov jump processes which relies on neural ordinary differential equations, and is trainable via back-propagation. Our methodology learns neural, continuous-time representations of the observed data, that are used to approximate the initial distribution and time-dependent transition probability rates of the posterior Markov jump process. The time-independent rates of the prior process are in contrast trained akin to generative adversarial networks. We test our approach on synthetic data sampled from ground-truth Markov jump processes, experimental switching ion channel data and molecular dynamics simulations. Source code to reproduce our experiments is available online.

We propose EMAGE, a framework to generate full-body human gestures from audio and masked gestures, encompassing facial, local body, hands, and global movements. To achieve this, we first introduce BEAT2 (BEAT-SMPLX-FLAME), a new mesh-level holistic co-speech dataset. BEAT2 combines MoShed SMPLX body with FLAME head parameters and further refines the modeling of head, neck, and finger movements, offering a community-standardized, high-quality 3D motion captured dataset. EMAGE leverages masked body gesture priors during training to boost inference performance. It involves a Masked Audio Gesture Transformer, facilitating joint training on audio-to-gesture generation and masked gesture reconstruction to effectively encode audio and body gesture hints. Encoded body hints from masked gestures are then separately employed to generate facial and body movements. Moreover, EMAGE adaptively merges speech features from the audio's rhythm and content and utilizes four compositional VQ-VAEs to enhance the results' fidelity and diversity. Experiments demonstrate that EMAGE generates holistic gestures with state-of-the-art performance and is flexible in accepting predefined spatial-temporal gesture inputs, generating complete, audio-synchronized results. Our code and dataset are available at https://pantomatrix.github.io/EMAGE/

Recent advances in internet-scale video data pretraining have led to the development of text-to-video generative models that can create high-quality videos across a broad range of visual concepts, synthesize realistic motions and render complex objects. Hence, these generative models have the potential to become general-purpose simulators of the physical world. However, it is unclear how far we are from this goal with the existing text-to-video generative models. To this end, we present VideoPhy, a benchmark designed to assess whether the generated videos follow physical commonsense for real-world activities (e.g. marbles will roll down when placed on a slanted surface). Specifically, we curate diverse prompts that involve interactions between various material types in the physical world (e.g., solid-solid, solid-fluid, fluid-fluid). We then generate videos conditioned on these captions from diverse state-of-the-art text-to-video generative models, including open models (e.g., CogVideoX) and closed models (e.g., Lumiere, Dream Machine). Our human evaluation reveals that the existing models severely lack the ability to generate videos adhering to the given text prompts, while also lack physical commonsense. Specifically, the best performing model, CogVideoX-5B, generates videos that adhere to the caption and physical laws for 39.6% of the instances. VideoPhy thus highlights that the video generative models are far from accurately simulating the physical world. Finally, we propose an auto-evaluator, VideoCon-Physics, to assess the performance reliably for the newly released models.

Implicit neural fields, typically encoded by a multilayer perceptron (MLP) that maps from coordinates (e.g., xyz) to signals (e.g., signed distances), have shown remarkable promise as a high-fidelity and compact representation. However, the lack of a regular and explicit grid structure also makes it challenging to apply generative modeling directly on implicit neural fields in order to synthesize new data. To this end, we propose HyperDiffusion, a novel approach for unconditional generative modeling of implicit neural fields. HyperDiffusion operates directly on MLP weights and generates new neural implicit fields encoded by synthesized MLP parameters. Specifically, a collection of MLPs is first optimized to faithfully represent individual data samples. Subsequently, a diffusion process is trained in this MLP weight space to model the underlying distribution of neural implicit fields. HyperDiffusion enables diffusion modeling over a implicit, compact, and yet high-fidelity representation of complex signals across 3D shapes and 4D mesh animations within one single unified framework.

Existing video generation models excel at producing photo-realistic videos from text or images, but often lack physical plausibility and 3D controllability. To overcome these limitations, we introduce PhysCtrl, a novel framework for physics-grounded image-to-video generation with physical parameters and force control. At its core is a generative physics network that learns the distribution of physical dynamics across four materials (elastic, sand, plasticine, and rigid) via a diffusion model conditioned on physics parameters and applied forces. We represent physical dynamics as 3D point trajectories and train on a large-scale synthetic dataset of 550K animations generated by physics simulators. We enhance the diffusion model with a novel spatiotemporal attention block that emulates particle interactions and incorporates physics-based constraints during training to enforce physical plausibility. Experiments show that PhysCtrl generates realistic, physics-grounded motion trajectories which, when used to drive image-to-video models, yield high-fidelity, controllable videos that outperform existing methods in both visual quality and physical plausibility. Project Page: https://cwchenwang.github.io/physctrl

Mimicking realistic dynamics in 3D garment animations is a challenging task due to the complex nature of multi-layered garments and the variety of outer forces involved. Existing approaches mostly focus on single-layered garments driven by only human bodies and struggle to handle general scenarios. In this paper, we propose a novel data-driven method, called LayersNet, to model garment-level animations as particle-wise interactions in a micro physics system. We improve simulation efficiency by representing garments as patch-level particles in a two-level structural hierarchy. Moreover, we introduce a novel Rotation Equivalent Transformation that leverages the rotation invariance and additivity of physics systems to better model outer forces. To verify the effectiveness of our approach and bridge the gap between experimental environments and real-world scenarios, we introduce a new challenging dataset, D-LAYERS, containing 700K frames of dynamics of 4,900 different combinations of multi-layered garments driven by both human bodies and randomly sampled wind. Our experiments show that LayersNet achieves superior performance both quantitatively and qualitatively. We will make the dataset and code publicly available at https://mmlab-ntu.github.io/project/layersnet/index.html .

Diffusion models may be formulated as a time-indexed sequence of energy-based models, where the score corresponds to the negative gradient of an energy function. As opposed to learning the score directly, an energy parameterization is attractive as the energy itself can be used to control generation via Monte Carlo samplers. Architectural constraints and training instability in energy parameterized models have so far yielded inferior performance compared to directly approximating the score or denoiser. We address these deficiencies by introducing a novel training regime for the energy function through distillation of pre-trained diffusion models, resembling a Helmholtz decomposition of the score vector field. We further showcase the synergies between energy and score by casting the diffusion sampling procedure as a Feynman Kac model where sampling is controlled using potentials from the learnt energy functions. The Feynman Kac model formalism enables composition and low temperature sampling through sequential Monte Carlo.

The abilities to perceive, learn, and use generalities, similarities, classes, i.e., semantic memory (SM), is central to cognition. Machine learning (ML), neural network, and AI research has been primarily driven by tasks requiring such abilities. However, another central facet of cognition, single-trial formation of permanent memories of experiences, i.e., episodic memory (EM), has had relatively little focus. Only recently has EM-like functionality been added to Deep Learning (DL) models, e.g., Neural Turing Machine, Memory Networks. However, in these cases: a) EM is implemented as a separate module, which entails substantial data movement (and so, time and power) between the DL net itself and EM; and b) individual items are stored localistically within the EM, precluding realizing the exponential representational efficiency of distributed over localist coding. We describe Sparsey, an unsupervised, hierarchical, spatial/spatiotemporal associative memory model differing fundamentally from mainstream ML models, most crucially, in its use of sparse distributed representations (SDRs), or, cell assemblies, which admits an extremely efficient, single-trial learning algorithm that maps input similarity into code space similarity (measured as intersection). SDRs of individual inputs are stored in superposition and because similarity is preserved, the patterns of intersections over the assigned codes reflect the similarity, i.e., statistical, structure, of all orders, not simply pairwise, over the inputs. Thus, SM, i.e., a generative model, is built as a computationally free side effect of the act of storing episodic memory traces of individual inputs, either spatial patterns or sequences. We report initial results on MNIST and on the Weizmann video event recognition benchmarks. While we have not yet attained SOTA class accuracy, learning takes only minutes on a single CPU.

Physics simulation is paramount for modeling and utilizing 3D scenes in various real-world applications. However, integrating with state-of-the-art 3D scene rendering techniques such as Gaussian Splatting (GS) remains challenging. Existing models use additional meshing mechanisms, including triangle or tetrahedron meshing, marching cubes, or cage meshes. Alternatively, we can modify the physics-grounded Newtonian dynamics to align with 3D Gaussian components. Current models take the first-order approximation of a deformation map, which locally approximates the dynamics by linear transformations. In contrast, our GS for Physics-Based Simulations (GASP) pipeline uses parametrized flat Gaussian distributions. Consequently, the problem of modeling Gaussian components using the physics engine is reduced to working with 3D points. In our work, we present additional rules for manipulating Gaussians, demonstrating how to adapt the pipeline to incorporate meshes, control Gaussian sizes during simulations, and enhance simulation efficiency. This is achieved through the Gaussian grouping strategy, which implements hierarchical structuring and enables simulations to be performed exclusively on selected Gaussians. The resulting solution can be integrated into any physics engine that can be treated as a black box. As demonstrated in our studies, the proposed pipeline exhibits superior performance on a diverse range of benchmark datasets designed for 3D object rendering. The project webpage, which includes additional visualizations, can be found at https://waczjoan.github.io/GASP.

With the development of speech large language models (speech LLMs), users can now interact directly with assistants via speech. However, most existing models only convert response content into speech without fully capturing the rich emotional cues in user queries, where the same sentence may convey different meanings depending on the expression. Emotional understanding is thus essential for improving human-machine interaction. Most empathetic speech LLMs rely on massive datasets, demanding high computational cost. A key challenge is to build models that generate empathetic responses with limited data and without large-scale training. To this end, we propose Emotion Omni, a model that understands emotional content in user speech and generates empathetic responses. We further developed a data pipeline to construct a 200k emotional dialogue dataset supporting empathetic speech assistants. Experiments show that Emotion Omni achieves comparable instruction-following ability without large-scale pretraining, while surpassing existing models in speech quality (UTMOS:4.41) and empathy (Emotion GPT Score: 3.97). These results confirm its improvements in both speech fidelity and emotional expressiveness. Demos are available at https://w311411.github.io/omni_demo/.

Neuromorphic models take inspiration from the human brain by adopting bio-plausible neuron models to build alternatives to traditional Machine Learning (ML) and Deep Learning (DL) solutions. The scarce availability of dedicated hardware able to actualize the emulation of brain-inspired computation, which is otherwise only simulated, yet still hinders the wide adoption of neuromorphic computing for edge devices and embedded systems. With this premise, we adopt the perspective of neuromorphic computing for conventional hardware and we present the L2MU, a natively neuromorphic Legendre Memory Unit (LMU) which entirely relies on Leaky Integrate-and-Fire (LIF) neurons. Specifically, the original recurrent architecture of LMU has been redesigned by modelling every constituent element with neural populations made of LIF or Current-Based (CuBa) LIF neurons. To couple neuromorphic computing and off-the-shelf edge devices, we equipped the L2MU with an input module for the conversion of real values into spikes, which makes it an encoding-free implementation of a Recurrent Spiking Neural Network (RSNN) able to directly work with raw sensor signals on non-dedicated hardware. As a use case to validate our network, we selected the task of Human Activity Recognition (HAR). We benchmarked our L2MU on smartwatch signals from hand-oriented activities, deploying it on three different commercial edge devices in compressed versions too. The reported results remark the possibility of considering neuromorphic models not only in an exclusive relationship with dedicated hardware but also as a suitable choice to work with common sensors and devices.

The rapid data surge from the high-luminosity Large Hadron Collider introduces critical computational challenges requiring novel approaches for efficient data processing in particle physics. Quantum machine learning, with its capability to leverage the extensive Hilbert space of quantum hardware, offers a promising solution. However, current quantum graph neural networks (GNNs) lack robustness to noise and are often constrained by fixed symmetry groups, limiting adaptability in complex particle interaction modeling. This paper demonstrates that replacing the Lorentz Group Equivariant Block modules in LorentzNet with a dressed quantum circuit significantly enhances performance despite using nearly 5.5 times fewer parameters. Additionally, quantum circuits effectively replace MLPs by inherently preserving symmetries, with Lorentz symmetry integration ensuring robust handling of relativistic invariance. Our Lorentz-Equivariant Quantum Graph Neural Network (Lorentz-EQGNN) achieved 74.00% test accuracy and an AUC of 87.38% on the Quark-Gluon jet tagging dataset, outperforming the classical and quantum GNNs with a reduced architecture using only 4 qubits. On the Electron-Photon dataset, Lorentz-EQGNN reached 67.00% test accuracy and an AUC of 68.20%, demonstrating competitive results with just 800 training samples. Evaluation of our model on generic MNIST and FashionMNIST datasets confirmed Lorentz-EQGNN's efficiency, achieving 88.10% and 74.80% test accuracy, respectively. Ablation studies validated the impact of quantum components on performance, with notable improvements in background rejection rates over classical counterparts. These results highlight Lorentz-EQGNN's potential for immediate applications in noise-resilient jet tagging, event classification, and broader data-scarce HEP tasks.

Energy-based models (EBMs) are known in the Machine Learning community for decades. Since the seminal works devoted to EBMs dating back to the noughties, there have been a lot of efficient methods which solve the generative modelling problem by means of energy potentials (unnormalized likelihood functions). In contrast, the realm of Optimal Transport (OT) and, in particular, neural OT solvers is much less explored and limited by few recent works (excluding WGAN-based approaches which utilize OT as a loss function and do not model OT maps themselves). In our work, we bridge the gap between EBMs and Entropy-regularized OT. We present a novel methodology which allows utilizing the recent developments and technical improvements of the former in order to enrich the latter. From the theoretical perspective, we prove generalization bounds for our technique. In practice, we validate its applicability in toy 2D and image domains. To showcase the scalability, we empower our method with a pre-trained StyleGAN and apply it to high-res AFHQ 512times 512 unpaired I2I translation. For simplicity, we choose simple short- and long-run EBMs as a backbone of our Energy-guided Entropic OT approach, leaving the application of more sophisticated EBMs for future research. Our code is available at: https://github.com/PetrMokrov/Energy-guided-Entropic-OT

The human brain is a complex spiking neural network (SNN) that learns multimodal signals in a zero-shot manner by generalizing existing knowledge. Remarkably, the brain achieves this with minimal power consumption, using event-based signals that propagate within its structure. However, mimicking the human brain in neuromorphic hardware presents both hardware and software challenges. Hardware limitations, such as the slowdown of Moore's law and the von Neumann bottleneck, hinder the efficiency of digital computers. On the software side, SNNs are known for their difficult training, especially when learning multimodal signals. To overcome these challenges, we propose a hardware-software co-design that combines a fixed and random liquid state machine (LSM) SNN encoder with trainable artificial neural network (ANN) projections. The LSM is physically implemented using analogue resistive memory, leveraging the inherent stochasticity of resistive switching to generate random weights. This highly efficient and nanoscale in-memory computing approach effectively addresses the von Neumann bottleneck and the slowdown of Moore's law. The ANN projections are implemented digitally, allowing for easy optimization using contrastive loss, which helps to overcome the difficulties associated with SNN training. We experimentally implement this co-design on a 40nm 256Kb in-memory computing macro. We first demonstrate LSM-based event encoding through supervised classification and linear probing on the N-MNIST and N-TIDIGITS datasets.

3D reconstruction from in-the-wild images remains a challenging task due to inconsistent lighting conditions and transient distractors. Existing methods typically rely on heuristic strategies to handle the low-quality training data, which often struggle to produce stable and consistent reconstructions, frequently resulting in visual artifacts. In this work, we propose Asymmetric Dual 3DGS, a novel framework that leverages the stochastic nature of these artifacts: they tend to vary across different training runs due to minor randomness. Specifically, our method trains two 3D Gaussian Splatting (3DGS) models in parallel, enforcing a consistency constraint that encourages convergence on reliable scene geometry while suppressing inconsistent artifacts. To prevent the two models from collapsing into similar failure modes due to confirmation bias, we introduce a divergent masking strategy that applies two complementary masks: a multi-cue adaptive mask and a self-supervised soft mask, which leads to an asymmetric training process of the two models, reducing shared error modes. In addition, to improve the efficiency of model training, we introduce a lightweight variant called Dynamic EMA Proxy, which replaces one of the two models with a dynamically updated Exponential Moving Average (EMA) proxy, and employs an alternating masking strategy to preserve divergence. Extensive experiments on challenging real-world datasets demonstrate that our method consistently outperforms existing approaches while achieving high efficiency. Codes and trained models will be released.

Creating a photorealistic scene and human reconstruction from a single monocular in-the-wild video figures prominently in the perception of a human-centric 3D world. Recent neural rendering advances have enabled holistic human-scene reconstruction but require pre-calibrated camera and human poses, and days of training time. In this work, we introduce a novel unified framework that simultaneously performs camera tracking, human pose estimation and human-scene reconstruction in an online fashion. 3D Gaussian Splatting is utilized to learn Gaussian primitives for humans and scenes efficiently, and reconstruction-based camera tracking and human pose estimation modules are designed to enable holistic understanding and effective disentanglement of pose and appearance. Specifically, we design a human deformation module to reconstruct the details and enhance generalizability to out-of-distribution poses faithfully. Aiming to learn the spatial correlation between human and scene accurately, we introduce occlusion-aware human silhouette rendering and monocular geometric priors, which further improve reconstruction quality. Experiments on the EMDB and NeuMan datasets demonstrate superior or on-par performance with existing methods in camera tracking, human pose estimation, novel view synthesis and runtime. Our project page is at https://eth-ait.github.io/ODHSR.

While text-to-video (T2V) generation has achieved remarkable progress in photorealism, generating intent-aligned videos that faithfully obey physics principles remains a core challenge. In this work, we systematically study Newtonian motion-controlled text-to-video generation and evaluation, emphasizing physical precision and motion coherence. We introduce MoReGen, a motion-aware, physics-grounded T2V framework that integrates multi-agent LLMs, physics simulators, and renderers to generate reproducible, physically accurate videos from text prompts in the code domain. To quantitatively assess physical validity, we propose object-trajectory correspondence as a direct evaluation metric and present MoReSet, a benchmark of 1,275 human-annotated videos spanning nine classes of Newtonian phenomena with scene descriptions, spatiotemporal relations, and ground-truth trajectories. Using MoReSet, we conduct experiments on existing T2V models, evaluating their physical validity through both our MoRe metrics and existing physics-based evaluators. Our results reveal that state-of-the-art models struggle to maintain physical validity, while MoReGen establishes a principled direction toward physically coherent video synthesis.

Driven by the growing capacity and training scale, Text-to-Video (T2V) generation models have recently achieved substantial progress in video quality, length, and instruction-following capability. However, whether these models can understand physics and generate physically plausible videos remains a question. While Vision-Language Models (VLMs) have been widely used as general-purpose evaluators in various applications, they struggle to identify the physically impossible content from generated videos. To investigate this issue, we construct a PID (Physical Implausibility Detection) dataset, which consists of a test split of 500 manually annotated videos and a train split of 2,588 paired videos, where each implausible video is generated by carefully rewriting the caption of its corresponding real-world video to induce T2V models producing physically implausible content. With the constructed dataset, we introduce a lightweight fine-tuning approach, enabling VLMs to not only detect physically implausible events but also generate textual explanations on the violated physical principles. Taking the fine-tuned VLM as a physical plausibility detector and explainer, namely PhyDetEx, we benchmark a series of state-of-the-art T2V models to assess their adherence to physical laws. Our findings show that although recent T2V models have made notable progress toward generating physically plausible content, understanding and adhering to physical laws remains a challenging issue, especially for open-source models. Our dataset, training code, and checkpoints are available at https://github.com/Zeqing-Wang/PhyDetEx{https://github.com/Zeqing-Wang/PhyDetEx}.

This study introduces BrainTransformers, an innovative Large Language Model (LLM) implemented using Spiking Neural Networks (SNN). Our key contributions include: (1) designing SNN-compatible Transformer components such as SNNMatmul, SNNSoftmax, and SNNSiLU; (2) implementing an SNN approximation of the SiLU activation function; and (3) developing a Synapsis module to simulate synaptic plasticity. Our 3-billion parameter model, BrainTransformers-3B-Chat, demonstrates competitive performance across various benchmarks, including MMLU (63.2), BBH (54.1), ARC-C (54.3), and GSM8K (76.3), while potentially offering improved energy efficiency and biological plausibility. The model employs a three-stage training approach, including SNN-specific neuronal synaptic plasticity training. This research opens new avenues for brain-like AI systems in natural language processing and neuromorphic computing. Future work will focus on hardware optimization, developing specialized SNN fine-tuning tools, and exploring practical applications in energy-efficient computing environments.

Human behaviors in the real world naturally encode rich, long-term contextual information that can be leveraged to train embodied agents for perception, understanding, and acting. However, existing capture systems typically rely on costly studio setups and wearable devices, limiting the large-scale collection of scene-conditioned human motion data in the wild. To address this, we propose EmbodMocap, a portable and affordable data collection pipeline using two moving iPhones. Our key idea is to jointly calibrate dual RGB-D sequences to reconstruct both humans and scenes within a unified metric world coordinate frame. The proposed method allows metric-scale and scene-consistent capture in everyday environments without static cameras or markers, bridging human motion and scene geometry seamlessly. Compared with optical capture ground truth, we demonstrate that the dual-view setting exhibits a remarkable ability to mitigate depth ambiguity, achieving superior alignment and reconstruction performance over single iphone or monocular models. Based on the collected data, we empower three embodied AI tasks: monocular human-scene-reconstruction, where we fine-tune on feedforward models that output metric-scale, world-space aligned humans and scenes; physics-based character animation, where we prove our data could be used to scale human-object interaction skills and scene-aware motion tracking; and robot motion control, where we train a humanoid robot via sim-to-real RL to replicate human motions depicted in videos. Experimental results validate the effectiveness of our pipeline and its contributions towards advancing embodied AI research.

Foundation models have achieved remarkable success across video, image, and language domains. By scaling up the number of parameters and training datasets, these models acquire generalizable world knowledge and often surpass task-specific approaches. However, such progress has yet to extend to the domain of physics simulation. A primary bottleneck is data scarcity: while millions of images, videos, and textual resources are readily available on the internet, the largest physics simulation datasets contain only tens of thousands of samples. This data limitation hinders the use of large models, as overfitting becomes a major concern. As a result, physics applications typically rely on small models, which struggle with long-range prediction due to limited context understanding. Additionally, unlike images, videos, or text-which typically exhibit fixed granularity-physics datasets often vary drastically in scale, amplifying the challenges of scaling up multitask training. We introduce PhysiX, the first large-scale foundation model for physics simulation. PhysiX is a 4.5B parameter autoregressive generative model. It uses a discrete tokenizer to encode physical processes at different scales into a sequence of discrete tokens, and employs an autoregressive next-token prediction objective to model such processes in the token space. To mitigate the rounding error in the discretization process, PhysiX incorporates a specialized refinement module. Through extensive experiments, we show that PhysiX effectively addresses the data bottleneck, outperforming task-specific baselines under comparable settings as well as the previous absolute state-of-the-art approaches on The Well benchmark. Our results indicate that knowledge learned from natural videos can be successfully transferred to physics simulation, and that joint training across diverse simulation tasks enables synergistic learning.

We propose Parallel WaveGAN, a distillation-free, fast, and small-footprint waveform generation method using a generative adversarial network. In the proposed method, a non-autoregressive WaveNet is trained by jointly optimizing multi-resolution spectrogram and adversarial loss functions, which can effectively capture the time-frequency distribution of the realistic speech waveform. As our method does not require density distillation used in the conventional teacher-student framework, the entire model can be easily trained. Furthermore, our model is able to generate high-fidelity speech even with its compact architecture. In particular, the proposed Parallel WaveGAN has only 1.44 M parameters and can generate 24 kHz speech waveform 28.68 times faster than real-time on a single GPU environment. Perceptual listening test results verify that our proposed method achieves 4.16 mean opinion score within a Transformer-based text-to-speech framework, which is comparative to the best distillation-based Parallel WaveNet system.

Large multimodal models (LMMs) hold substantial promise across various domains, from personal assistance in daily tasks to sophisticated applications like medical diagnostics. However, their capabilities have limitations in the video game domain, such as challenges with scene understanding, hallucinations, and inaccurate descriptions of video game content, especially in open-source models. This paper describes the development of VideoGameBunny, a LLaVA-style model based on Bunny, specifically tailored for understanding images from video games. We release intermediate checkpoints, training logs, and an extensive dataset comprising 185,259 video game images from 413 titles, along with 389,565 image-instruction pairs that include image captions, question-answer pairs, and a JSON representation of 16 elements of 136,974 images. Our experiments show that our high quality game-related data has the potential to make a relatively small model outperform the much larger state-of-the-art model LLaVa-1.6-34b (which has more than 4x the number of parameters). Our study paves the way for future research in video game understanding on tasks such as playing, commentary, and debugging. Code and data are available at https://videogamebunny.github.io/

Neural fields such as DeepSDF and Neural Radiance Fields have recently revolutionized novel-view synthesis and 3D reconstruction from RGB images and videos. However, achieving high-quality representation, reconstruction, and rendering requires deep neural networks, which are slow to train and evaluate. Although several acceleration techniques have been proposed, they often trade off speed for memory. Gaussian splatting-based methods, on the other hand, accelerate the rendering time but remain costly in terms of training speed and memory needed to store the parameters of a large number of Gaussians. In this paper, we introduce a novel neural representation that is fast, both at training and inference times, and lightweight. Our key observation is that the neurons used in traditional MLPs perform simple computations (a dot product followed by ReLU activation) and thus one needs to use either wide and deep MLPs or high-resolution and high-dimensional feature grids to parameterize complex nonlinear functions. We show in this paper that by replacing traditional neurons with Radial Basis Function (RBF) kernels, one can achieve highly accurate representation of 2D (RGB images), 3D (geometry), and 5D (radiance fields) signals with just a single layer of such neurons. The representation is highly parallelizable, operates on low-resolution feature grids, and is compact and memory-efficient. We demonstrate that the proposed novel representation can be trained for 3D geometry representation in less than 15 seconds and for novel view synthesis in less than 15 mins. At runtime, it can synthesize novel views at more than 60 fps without sacrificing quality.

Assisting people in efficiently producing visually plausible 3D characters has always been a fundamental research topic in computer vision and computer graphics. Recent learning-based approaches have achieved unprecedented accuracy and efficiency in the area of 3D real human digitization. However, none of the prior works focus on modeling 3D biped cartoon characters, which are also in great demand in gaming and filming. In this paper, we introduce 3DBiCar, the first large-scale dataset of 3D biped cartoon characters, and RaBit, the corresponding parametric model. Our dataset contains 1,500 topologically consistent high-quality 3D textured models which are manually crafted by professional artists. Built upon the data, RaBit is thus designed with a SMPL-like linear blend shape model and a StyleGAN-based neural UV-texture generator, simultaneously expressing the shape, pose, and texture. To demonstrate the practicality of 3DBiCar and RaBit, various applications are conducted, including single-view reconstruction, sketch-based modeling, and 3D cartoon animation. For the single-view reconstruction setting, we find a straightforward global mapping from input images to the output UV-based texture maps tends to lose detailed appearances of some local parts (e.g., nose, ears). Thus, a part-sensitive texture reasoner is adopted to make all important local areas perceived. Experiments further demonstrate the effectiveness of our method both qualitatively and quantitatively. 3DBiCar and RaBit are available at gaplab.cuhk.edu.cn/projects/RaBit.

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of molecular trajectories as a paradigm for learning flexible multi-task surrogate models of MD from data. By conditioning on appropriately chosen frames of the trajectory, we show such generative models can be adapted to diverse tasks such as forward simulation, transition path sampling, and trajectory upsampling. By alternatively conditioning on part of the molecular system and inpainting the rest, we also demonstrate the first steps towards dynamics-conditioned molecular design. We validate the full set of these capabilities on tetrapeptide simulations and show that our model can produce reasonable ensembles of protein monomers. Altogether, our work illustrates how generative modeling can unlock value from MD data towards diverse downstream tasks that are not straightforward to address with existing methods or even MD itself. Code is available at https://github.com/bjing2016/mdgen.

Traditional experimental and numerical approaches for fluid dynamics problems often suffer from high computational cost, mesh sensitivity, and limited capability in capturing complex physical behaviors. Moreover, conventional physics-informed neural networks (PINNs) frequently struggle in chaotic and highly unsteady flow regimes. In this work, we propose PhysicsFormer, a fast and efficient transformer-based physics-informed framework that incorporates multi-head encoder-decoder cross-attention. Unlike multilayer perceptron-based PINNs, PhysicsFormer operates on sequential representations constructed from spatio-temporal data, enabling effective learning of long-range temporal dependencies and improved propagation of initial condition information. A data-embedding strategy is employed to convert spatio-temporal points into pseudo-sequences, while a dynamics-weighted loss function replaces the standard PINNs formulation. Owing to its parallel learning structure, PhysicsFormer demonstrates superior computational efficiency compared to existing transformer-based approaches. The framework is validated on Burgers' equation and flow reconstruction governed by the Navier-Stokes equations, achieving mean squared errors on the order of 10^{-6}. In addition, an inverse problem involving parameter identification in the two-dimensional incompressible Navier-Stokes equations is investigated. For clean data, PhysicsFormer achieves zero identification error for both λ_1 and λ_2; under 1% Gaussian noise, the errors are 0.07% for λ_1 and 0% for λ_2. These results demonstrate that PhysicsFormer provides a reliable and computationally efficient surrogate modeling framework for time-dependent fluid flow problems.

Denoising diffusion models hold great promise for generating diverse and realistic human motions. However, existing motion diffusion models largely disregard the laws of physics in the diffusion process and often generate physically-implausible motions with pronounced artifacts such as floating, foot sliding, and ground penetration. This seriously impacts the quality of generated motions and limits their real-world application. To address this issue, we present a novel physics-guided motion diffusion model (PhysDiff), which incorporates physical constraints into the diffusion process. Specifically, we propose a physics-based motion projection module that uses motion imitation in a physics simulator to project the denoised motion of a diffusion step to a physically-plausible motion. The projected motion is further used in the next diffusion step to guide the denoising diffusion process. Intuitively, the use of physics in our model iteratively pulls the motion toward a physically-plausible space, which cannot be achieved by simple post-processing. Experiments on large-scale human motion datasets show that our approach achieves state-of-the-art motion quality and improves physical plausibility drastically (>78% for all datasets).

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, solving high-fidelity PDEs remains computationally prohibitive, particularly for parametric systems requiring multiple evaluations across varying parameter configurations. This paper presents MF-BPINN, a novel multi-fidelity framework that synergistically combines physics-informed neural networks with Bayesian uncertainty quantification and adaptive residual learning. Our approach leverages abundant low-fidelity simulations alongside sparse high-fidelity data through a hierarchical neural architecture that learns nonlinear correlations across fidelity levels. We introduce an adaptive residual network with learnable gating mechanisms that dynamically balances linear and nonlinear fidelity discrepancies. Furthermore, we develop a rigorous Bayesian framework employing Hamiltonian Monte Carlo.