Daily Papers

Imitation learning requires high-quality demonstrations consisting of sequences of state-action pairs. For contact-rich dexterous manipulation tasks that require dexterity, the actions in these state-action pairs must produce the right forces. Current widely-used methods for collecting dexterous manipulation demonstrations are difficult to use for demonstrating contact-rich tasks due to unintuitive human-to-robot motion retargeting and the lack of direct haptic feedback. Motivated by these concerns, we propose DexForce. DexForce leverages contact forces, measured during kinesthetic demonstrations, to compute force-informed actions for policy learning. We collect demonstrations for six tasks and show that policies trained on our force-informed actions achieve an average success rate of 76% across all tasks. In contrast, policies trained directly on actions that do not account for contact forces have near-zero success rates. We also conduct a study ablating the inclusion of force data in policy observations. We find that while using force data never hurts policy performance, it helps most for tasks that require advanced levels of precision and coordination, like opening an AirPods case and unscrewing a nut.

Foundation models for medical imaging are typically pretrained on increasingly large datasets, following a "scale-at-all-costs" paradigm. However, this strategy faces two critical challenges: large-scale medical datasets often contain substantial redundancy and severe class imbalance that bias representation learning toward over-represented patterns, and indiscriminate training regardless of heterogeneity in data quality incurs considerable computational inefficiency. Here we demonstrate that active, principled data curation during pretraining can serve as a viable, cost-effective alternative to brute-force dataset enlargement. We introduce CheXficient, a chest X-ray (CXR) foundation model that selectively prioritizes informative training samples. CheXficient is pretrained on only 22.7% of 1,235,004 paired CXR images and reports while consuming under 27.3% of the total compute budget, yet achieving comparable or superior performance to its full-data counterpart and other large-scale pretrained models. We assess CheXficient across 20 individual benchmarks spanning 5 task types, including non-adapted off-the-shelf evaluations (zero-shot findings classification and crossmodal retrieval) and adapted downstream tasks (disease prediction, semantic segmentation, and radiology report generation). Further analyses show that CheXficient systematically prioritizes under-represented training samples, improving generalizability on long-tailed or rare conditions. Overall, our work offers practical insights into the data and computation demands for efficient pretraining and downstream adaptation of medical vision-language foundation models.

The solar wind speed at Earth is one of the most important parameters regarding the effects of space weather on society. Thus far, most approaches for predicting the solar wind speed produce a single-value time series without uncertainty, or utilize ensemble methods which require custom calibration development. In this study, a method is developed that produces calibrated probabilistic forecasts of the solar wind speed using skew normal distributions and a novel extension of analog ensembles. In our extension, the single-value predictions from a baseline model of the next Δt days are used along with Δwindow hours of recent observations and single-value predictions to create a forecasting scenario vector that is compared against a historical database for outcomes. The baseline model used is the combined Air Force Data Assimilative Photospheric Flux Transport-Wang Sheeley Arge (ADAPT-WSA) model and the WSA point parcel simulation, but the method is directly applicable to other deterministic models including components such as Enlil or the Heliospheric Upwind Extrapolation with time dependence model (HUXt). The approach works notably well on the benchmark of whether observations fall within the p^{th} percentile p% of the time (for p between 0 and 100). Falling back on the mean or median of the predicted distribution as a non-probabilistic prediction yields a direct improvement in root-mean-square error (RMSE) over the original WSA point parcel simulation, and is shown to beat approx 1 solar rotation recurrence for 1-5 day ahead forecasts.

Vision-Language-Action (VLA) models have recently emerged as powerful generalists for robotic manipulation. However, due to their predominant reliance on visual modalities, they fundamentally lack the physical intuition required for contact-rich tasks that require precise force regulation and physical reasoning. Existing attempts to incorporate vision-based tactile sensing into VLA models typically treat tactile inputs as auxiliary visual textures, thereby overlooking the underlying correlation between surface deformation and interaction dynamics. To bridge this gap, we propose a paradigm shift from tactile-vision alignment to tactile-force alignment. Here, we introduce TaF-VLA, a framework that explicitly grounds high-dimensional tactile observations in physical interaction forces. To facilitate this, we develop an automated tactile-force data acquisition device and curate the TaF-Dataset, comprising over 10 million synchronized tactile observations, 6-axis force/torque, and matrix force map. To align sequential tactile observations with interaction forces, the central component of our approach is the Tactile-Force Adapter (TaF-Adapter), a tactile sensor encoder that extracts discretized latent information for encoding tactile observations. This mechanism ensures that the learned representations capture history-dependent, noise-insensitive physical dynamics rather than static visual textures. Finally, we integrate this force-aligned encoder into a VLA backbone. Extensive real-world experiments demonstrate that TaF-VLA policy significantly outperforms state-of-the-art tactile-vision-aligned and vision-only baselines on contact-rich tasks, verifying its ability to achieve robust, force-aware manipulation through cross-modal physical reasoning.

The pantograph-catenary interface is essential for ensuring uninterrupted and reliable power delivery in electrified rail systems. However, electrical arcing at this interface poses serious risks, including accelerated wear of contact components, degraded system performance, and potential service disruptions. Detecting arcing events at the pantograph-catenary interface is challenging due to their transient nature, noisy operating environment, data scarcity, and the difficulty of distinguishing arcs from other similar transient phenomena. To address these challenges, we propose a novel multimodal framework that combines high-resolution image data with force measurements to more accurately and robustly detect arcing events. First, we construct two arcing detection datasets comprising synchronized visual and force measurements. One dataset is built from data provided by the Swiss Federal Railways (SBB), and the other is derived from publicly available videos of arcing events in different railway systems and synthetic force data that mimic the characteristics observed in the real dataset. Leveraging these datasets, we propose MultiDeepSAD, an extension of the DeepSAD algorithm for multiple modalities with a new loss formulation. Additionally, we introduce tailored pseudo-anomaly generation techniques specific to each data type, such as synthetic arc-like artifacts in images and simulated force irregularities, to augment training data and improve the discriminative ability of the model. Through extensive experiments and ablation studies, we demonstrate that our framework significantly outperforms baseline approaches, exhibiting enhanced sensitivity to real arcing events even under domain shifts and limited availability of real arcing observations.

A robot that fails at a task faces the first decision in corrective dialogue: act on its own diagnosis, consult another onboard sensor, or interrupt a person. Choosing well requires knowing how much the robot's sensors reveal about the cause and how reliable the robot's own diagnosis is. We build a simulated benchmark in which every failure's true cause is known, because we injected it, and measure what each sensor reveals, with explicit checks against data leakage. Some failures are diagnosable from camera images; others only from the robot's force data (0.99 from force data, no image method above 0.55). We then test six open vision-language models. Their behavior tracks the surface of the prompt, not the evidence: moving the refusal option from last to first in the answer list collapses refusal rates from 78-100% to 0-6% in three of the six swept model-and-family pairs. Accuracy from frames stays at or below a majority-class baseline under every prompt variant, with or without worked examples, and stated confidence carries no information about correctness. Handing the same models the force data as ten lines of text produces the first above-baseline diagnoses, in four of the six models: much of the failure reflects missing sensor data, not missing ability. We pose the choice as a three-action decision problem, act, consult your own sensors, or ask a human, whose optimal policy follows from measured accuracy. The models do not follow it, and their ask rates ignore a fourfold change in question cost. One question to a human still lifts them from that baseline to roughly the answerer's own reliability (0.70-0.81 when they ask). The decision to ask should be tied to measured accuracy and stated costs, not to the model's confidence.

Inverse dynamics (ID), which aims at reproducing the driven torques from human kinematic observations, has been a critical tool for gait analysis. However, it is hindered from wider application to general motion due to its limited scalability. Conventional optimization-based ID requires expensive laboratory setups, restricting its availability. To alleviate this problem, we propose to exploit the recently progressive human motion imitation algorithms to learn human inverse dynamics in a data-driven manner. The key insight is that the human ID knowledge is implicitly possessed by motion imitators, though not directly applicable. In light of this, we devise an efficient data collection pipeline with state-of-the-art motion imitation algorithms and physics simulators, resulting in a large-scale human inverse dynamics benchmark as Imitated Dynamics (ImDy). ImDy contains over 150 hours of motion with joint torque and full-body ground reaction force data. With ImDy, we train a data-driven human inverse dynamics solver ImDyS(olver) in a fully supervised manner, which conducts ID and ground reaction force estimation simultaneously. Experiments on ImDy and real-world data demonstrate the impressive competency of ImDyS in human inverse dynamics and ground reaction force estimation. Moreover, the potential of ImDy(-S) as a fundamental motion analysis tool is exhibited with downstream applications. The project page is https://foruck.github.io/ImDy/.

The rapid advancement of autonomous driving (AD) technologies has outpaced the development of robust safety evaluation methods. Conventional testing relies on exposing AD systems to vast numbers of real-world traffic scenes -- a brute-force approach that is prohibitively expensive and statistically ineffective at capturing the rare, safety-critical edge cases essential for validating real-world robustness. To address this fundamental limitation, we introduce STRELGen, a scalable framework for the targeted generation of safety-critical driving scenarios. STRELGen synergistically combines a multi-agent trajectory-generation diffusion model (DM) with Spatio-Temporal Logic (STREL) specifications that encode complex safety and realism properties through a highly interpretable formalism. Crucially, monitoring satisfaction levels of these specifications is differentiable, enabling gradient-based search. At inference time, we optimize directly over the DM latent space to maximize STREL formula satisfaction. The result is efficient generation of highly plausible yet safety-critical multi-agent scenarios that lie within the learned data distribution. STRELGen thus provides a flexible, interpretable, and powerful tool for stress-testing autonomous driving systems, moving beyond the limitations of brute-force data collection.

Vision-Language-Action (VLA) models excel in robotic manipulation but suffer catastrophic performance drops when canonical instructions are simply paraphrased. Although this brittleness is typically addressed through costly data scaling, our probing reveals that the root cause is architectural rather than a lack of semantic understanding. Specifically, we demonstrate that current VLAs successfully retain the correct task identity internally. The failure actually stems from the joint encoding of dynamic visual observations and text, which introduces systematic feature shifts. Because the downstream action policy is highly vulnerable to these variations, it fails to translate the preserved semantics into correct control commands. To resolve this structural bottleneck, we propose Grounded Semantic Re-binding (GSR), an elegant intervention that bypasses unstable joint routing by explicitly fusing independently extracted task semantics with native visual features to train a completely re-initialized action expert from scratch. This targeted intervention dramatically restores paraphrastic invariance using only canonical demonstrations. On the LIBERO-Para benchmark, GSR improves success rates by up to 44.6 percent. It enables lightweight models to rival massively scaled baselines and pushes state-of-the-art models to a new record PRIDE score of 70.4, outperforming the recently introduced large-scale pretrained model Xiaomi-Robotics-0 in instruction generation capabilities. Building on these insights, we also introduce ParaVLA, a natively decoupled 0.33B-parameter model exhibiting near-perfect robustness to instruction rewording. Ultimately, our work proves that robust semantic grounding can be achieved through elegant structural design, bypassing the inefficient brute-force data scaling paradigm.

Achieving successful robotic manipulation is an essential step towards robots being widely used in industry and home settings. Recently, many learning-based methods have been proposed to tackle this challenge, with imitation learning showing great promise. However, imperfect demonstrations and a lack of feedback from teleoperation systems may lead to poor or even unsafe results. In this work we explore the effect of demonstrator force feedback on imitation learning, using a feedback glove and a robot arm to render fingertip-level and palm-level forces, respectively. 10 participants recorded 5 demonstrations of a pick-and-place task with 3 grippers, under conditions with no force feedback, fingertip force feedback, and fingertip and palm force feedback. Results show that force feedback significantly reduces demonstrator fingertip and palm forces, leads to a lower variation in demonstrator forces, and recorded trajectories that a quicker to execute. Using behavioral cloning, we find that agents trained to imitate these trajectories mirror these benefits, even though agents have no force data shown to them during training. We conclude that immersive demonstrations, achieved with force feedback, may be the key to unlocking safer, quicker to execute dexterous manipulation policies.

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

Soot is a component of atmospheric aerosols that affects climate by scattering and absorbing the sunlight. Soot particles are fractal aggregates composed of elemental carbon. In the atmosphere, the aggregates acquire coatings by condensation and coagulation, resulting in significant compaction of the aggregates that changes the direct climate forcing of soot. Currently, no models exist to rigorously describe the process of soot restructuring, reducing prediction accuracy of atmospheric aerosol models. We develop a discrete element method contact model to simulate restructuring of fractal soot aggregates, represented as assemblies of spheres joined by cohesion and by sintered necks. The model is parametrized based on atomic force spectroscopy data and is used to simulate soot restructuring, showing that the fraction of necks in aggregates determines the restructuring pathway. Aggregates with fewer necks undergo local compaction, while aggregates with nearly-full necking prefer global compaction. Additionally, full compaction occurs within tens of nanoseconds, orders of magnitude faster than the time scale of soot aging through condensation. An important implication is that in atmospheric soot aggregates, the rate of condensation determines how many necks are fractured simultaneously, affecting the restructuring pathway, e.g., producing highly compact, thinly-coated soot as observed in recent studies.

Uncertainty in perception, actuation, and the environment often require multiple attempts for a robotic task to be successful. We study a class of problems providing (1) low-entropy indicators of terminal success / failure, and (2) unreliable (high-entropy) data to predict the final outcome of an ongoing task. Examples include a robot trying to connect with a charging station, parallel parking, or assembling a tightly-fitting part. The ability to restart after predicting failure early, versus simply running to failure, can significantly decrease the makespan, that is, the total time to completion, with the drawback of potentially short-cutting an otherwise successful operation. Assuming task running times to be Poisson distributed, and using a Markov Jump process to capture the dynamics of the underlying Markov Decision Process, we derive a closed form solution that predicts makespan based on the confusion matrix of the failure predictor. This allows the robot to learn failure prediction in a production environment, and only adopt a preemptive policy when it actually saves time. We demonstrate this approach using a robotic peg-in-hole assembly problem using a real robotic system. Failures are predicted by a dilated convolutional network based on force-torque data, showing an average makespan reduction from 101s to 81s (N=120, p<0.05). We posit that the proposed algorithm generalizes to any robotic behavior with an unambiguous terminal reward, with wide ranging applications on how robots can learn and improve their behaviors in the wild.

Real-world contact-rich manipulation demands robots to perceive temporal tactile feedback, capture subtle surface deformations, and reason about object properties as well as force dynamics. Although optical tactile sensors are uniquely capable of providing such rich information, existing tactile datasets and models remain limited. These resources primarily focus on object-level attributes (e.g., material) while largely overlooking fine-grained tactile temporal dynamics during physical interactions. We consider that advancing dynamic tactile perception requires a systematic hierarchy of dynamic perception capabilities to guide both data collection and model design. To address the lack of tactile data with rich dynamic information, we present ToucHD, a large-scale hierarchical tactile dataset spanning tactile atomic actions, real-world manipulations, and touch-force paired data. Beyond scale, ToucHD establishes a comprehensive tactile dynamic data ecosystem that explicitly supports hierarchical perception capabilities from the data perspective. Building on it, we propose AnyTouch 2, a general tactile representation learning framework for diverse optical tactile sensors that unifies object-level understanding with fine-grained, force-aware dynamic perception. The framework captures both pixel-level and action-specific deformations across frames, while explicitly modeling physical force dynamics, thereby learning multi-level dynamic perception capabilities from the model perspective. We evaluate our model on benchmarks that covers static object properties and dynamic physical attributes, as well as real-world manipulation tasks spanning multiple tiers of dynamic perception capabilities-from basic object-level understanding to force-aware dexterous manipulation. Experimental results demonstrate consistent and strong performance across sensors and tasks.

Partnered human-humanoid interaction couples locomotion with continuous physical contact. A humanoid needs to coordinate with a person's motion while responding to interaction forces and maintaining stable and natural movement. We present CoDance, a framework for learning reactive and compliant human-humanoid interaction from video. We study partnered dancing as a challenging instantiation, where a humanoid coordinates its footsteps with a moving partner and maintains continuous two-hand contact. Given a single video of two human dancers, CoDance retargets their motions into a robot reference and a moving partner. We introduce a multi-link compliance augmentation that transforms the kinematic demonstration into force-aware training data by adapting the robot reference under structured forces at both hands. Policies trained on this data follow the observed partner while preserving the demonstrated locomotion style and responding compliantly to physical interaction. In simulation, the policies adapt their footsteps to changes in the partner and reproduce approximately 80% of the wrist displacement encoded by the augmented demonstrations. On a physical humanoid, CoDance enables sustained two-hand dancing with a human partner including repeated transitions between forward and backward motions.

Many essential manipulation tasks - such as food preparation, surgery, and craftsmanship - remain intractable for autonomous robots. These tasks are characterized not only by contact-rich, force-sensitive dynamics, but also by their "implicit" success criteria: unlike pick-and-place, task quality in these domains is continuous and subjective (e.g. how well a potato is peeled), making quantitative evaluation and reward engineering difficult. We present a learning framework for such tasks, using peeling with a knife as a representative example. Our approach follows a two-stage pipeline: first, we learn a robust initial policy via force-aware data collection and imitation learning, enabling generalization across object variations; second, we refine the policy through preference-based finetuning using a learned reward model that combines quantitative task metrics with qualitative human feedback, aligning policy behavior with human notions of task quality. Using only 50-200 peeling trajectories, our system achieves over 90% average success rates on challenging produce including cucumbers, apples, and potatoes, with performance improving by up to 40% through preference-based finetuning. Remarkably, policies trained on a single produce category exhibit strong zero-shot generalization to unseen in-category instances and to out-of-distribution produce from different categories while maintaining over 90% success rates.

Machine learning force fields (MLFF) have been proposed to accelerate molecular dynamics (MD) simulation, which finds widespread applications in chemistry and biomedical research. Even for the most data-efficient MLFFs, reaching chemical accuracy can require hundreds of frames of force and energy labels generated by expensive quantum mechanical algorithms, which may scale as O(n^3) to O(n^7), with n proportional to the number of basis functions. To address this issue, we propose a multi-stage computational framework -- ASTEROID, which lowers the data cost of MLFFs by leveraging a combination of cheap inaccurate data and expensive accurate data. The motivation behind ASTEROID is that inaccurate data, though incurring large bias, can help capture the sophisticated structures of the underlying force field. Therefore, we first train a MLFF model on a large amount of inaccurate training data, employing a bias-aware loss function to prevent the model from overfitting tahe potential bias of this data. We then fine-tune the obtained model using a small amount of accurate training data, which preserves the knowledge learned from the inaccurate training data while significantly improving the model's accuracy. Moreover, we propose a variant of ASTEROID based on score matching for the setting where the inaccurate training data are unlabeled. Extensive experiments on MD datasets and downstream tasks validate the efficacy of ASTEROID. Our code and data are available at https://github.com/abukharin3/asteroid.

There has been a surge in the use of large language models (LLM) conversational agents to generate responses based on long-term history from multiple sessions. However, existing long-term open-domain dialogue datasets lack complex, real-world personalization and fail to capture implicit reasoning-where relevant information is embedded in subtle, syntactic, or semantically distant connections rather than explicit statements. In such cases, traditional retrieval methods fail to capture relevant context, and long-context modeling also becomes inefficient due to numerous complicated persona-related details. To address this gap, we introduce ImplexConv, a large-scale long-term dataset with 2,500 examples, each containing approximately 100 conversation sessions, designed to study implicit reasoning in personalized dialogues. Additionally, we propose TaciTree, a novel hierarchical tree framework that structures conversation history into multiple levels of summarization. Instead of brute-force searching all data, TaciTree enables an efficient, level-based retrieval process where models refine their search by progressively selecting relevant details. Our experiments demonstrate that TaciTree significantly improves the ability of LLMs to reason over long-term conversations with implicit contextual dependencies.

Recent advances in video generation models have sparked interest in world models capable of simulating realistic environments. While navigation has been well-explored, physically meaningful interactions that mimic real-world forces remain largely understudied. In this work, we investigate using physical forces as a control signal for video generation and propose force prompts which enable users to interact with images through both localized point forces, such as poking a plant, and global wind force fields, such as wind blowing on fabric. We demonstrate that these force prompts can enable videos to respond realistically to physical control signals by leveraging the visual and motion prior in the original pretrained model, without using any 3D asset or physics simulator at inference. The primary challenge of force prompting is the difficulty in obtaining high quality paired force-video training data, both in the real world due to the difficulty of obtaining force signals, and in synthetic data due to limitations in the visual quality and domain diversity of physics simulators. Our key finding is that video generation models can generalize remarkably well when adapted to follow physical force conditioning from videos synthesized by Blender, even with limited demonstrations of few objects. Our method can generate videos which simulate forces across diverse geometries, settings, and materials. We also try to understand the source of this generalization and perform ablations that reveal two key elements: visual diversity and the use of specific text keywords during training. Our approach is trained on only around 15k training examples for a single day on four A100 GPUs, and outperforms existing methods on force adherence and physics realism, bringing world models closer to real-world physics interactions. We release all datasets, code, weights, and interactive video demos at our project page.

Recent progress in robot manipulation has been largely driven by learning from large-scale demonstrations. For humanoid robot loco-manipulation tasks, however, existing data sources force an unsatisfying tradeoff between trajectory quality and scalability. Real-world teleoperation provides the highest-quality trajectories but requires dedicated physical space and time-consuming scene resets. Simulation offers an alternative way out of this dilemma: it can produce clean, embodiment-aligned data at scale without any physical hardware. In this paper, we propose OASIS, a simulation-data-driven framework for humanoid loco-manipulation. OASIS automatically reconstructs realistic object assets from real-world images using a 3D generative model. Based on these assets, trajectories are first collected through teleoperation in simulation, and then augmented under diverse domain randomizations in a post-processing stage. With the resulting simulation data, we further design a hierarchical visuomotor policy for humanoid loco-manipulation. Extensive experiments on the real humanoid robot show that, under zero-shot deployment, the policy trained on our simulation data achieves higher success rates on most tasks than that trained on real-robot teleoperation data, owing largely to the broad lighting and environmental variations covered by our simulation rendering, which real-robot data fails to capture. The project page is available at https://oasis-humanoid.github.io/.

The growing adoption of batteries in the electric vehicle industry and various consumer products has created an urgent need for effective recycling solutions. These products often contain a mix of compliant and rigid components, making robotic disassembly a critical step toward achieving scalable recycling processes. Diffusion policy has emerged as a promising approach for learning low-level skills in robotics. To effectively apply diffusion policy to contact-rich tasks, incorporating force as feedback is essential. In this paper, we apply diffusion policy with vision and force in a compliant object prying task. However, when combining low-dimensional contact force with high-dimensional image, the force information may be diluted. To address this issue, we propose a method that effectively integrates force with image data for diffusion policy observations. We validate our approach on a battery prying task that demands high precision and multi-step execution. Our model achieves a 96\% success rate in diverse scenarios, marking a 57\% improvement over the vision-only baseline. Our method also demonstrates zero-shot transfer capability to handle unseen objects and battery types. Supplementary videos and implementation codes are available on our project website. https://rros-lab.github.io/diffusion-with-force.github.io/

This study explores the utility of various internet data sources to select among a set of template robot behaviors to perform skills. Learning contact-rich skills involving tool use from internet data sources has typically been challenging due to the lack of physical information such as contact existence, location, areas, and force in this data. Prior works have generally used internet data and foundation models trained on this data to generate low-level robot behavior. We hypothesize that these data and models may be better suited to selecting among a set of basic robot behaviors to perform these contact-rich skills. We explore three methods of template selection: querying large language models, comparing video of robot execution to retrieved human video using features from a pretrained video encoder common in prior work, and performing the same comparison using features from an optic flow encoder trained on internet data. Our results show that LLMs are surprisingly capable template selectors despite their lack of visual information, optical flow encoding significantly outperforms video encoders trained with an order of magnitude more data, and important synergies exist between various forms of internet data for template selection. By exploiting these synergies, we create a template selector using multiple forms of internet data that achieves a 79\% success rate on a set of 16 different cooking skills involving tool-use.

Recent vision-language-action (VLA) models build upon vision-language foundations, and have achieved promising results and exhibit the possibility of task generalization in robot manipulation. However, due to the heterogeneity of tactile sensors and the difficulty of acquiring tactile data, current VLA models significantly overlook the importance of tactile perception and fail in contact-rich tasks. To address this issue, this paper proposes OmniVTLA, a novel architecture involving tactile sensing. Specifically, our contributions are threefold. First, our OmniVTLA features a dual-path tactile encoder framework. This framework enhances tactile perception across diverse vision-based and force-based tactile sensors by using a pretrained vision transformer (ViT) and a semantically-aligned tactile ViT (SA-ViT). Second, we introduce ObjTac, a comprehensive force-based tactile dataset capturing textual, visual, and tactile information for 56 objects across 10 categories. With 135K tri-modal samples, ObjTac supplements existing visuo-tactile datasets. Third, leveraging this dataset, we train a semantically-aligned tactile encoder to learn a unified tactile representation, serving as a better initialization for OmniVTLA. Real-world experiments demonstrate substantial improvements over state-of-the-art VLA baselines, achieving 96.9% success rates with grippers, (21.9% higher over baseline) and 100% success rates with dexterous hands (6.2% higher over baseline) in pick-and-place tasks. Besides, OmniVTLA significantly reduces task completion time and generates smoother trajectories through tactile sensing compared to existing VLA. Our ObjTac dataset can be found at https://readerek.github.io/Objtac.github.io

Deep learning models are intrinsically sensitive to distribution shifts in the input data. In particular, small, barely perceivable perturbations to the input data can force models to make wrong predictions with high confidence. An common defense mechanism is regularization through adversarial training which injects worst-case perturbations back into training to strengthen the decision boundaries, and to reduce overfitting. In this context, we perform an investigation of 3x3 convolution filters that form in adversarially-trained models. Filters are extracted from 71 public models of the linf-RobustBench CIFAR-10/100 and ImageNet1k leaderboard and compared to filters extracted from models built on the same architectures but trained without robust regularization. We observe that adversarially-robust models appear to form more diverse, less sparse, and more orthogonal convolution filters than their normal counterparts. The largest differences between robust and normal models are found in the deepest layers, and the very first convolution layer, which consistently and predominantly forms filters that can partially eliminate perturbations, irrespective of the architecture. Data & Project website: https://github.com/paulgavrikov/cvpr22w_RobustnessThroughTheLens

We introduce FEEL (Force-Enhanced Egocentric Learning), the first large-scale dataset pairing force measurements gathered from custom piezoresistive gloves with egocentric video. Our gloves enable scalable data collection, and FEEL contains approximately 3 million force-synchronized frames of natural unscripted manipulation in kitchen environments, with 45% of frames involving hand-object contact. Because force is the underlying cause that drives physical interaction, it is a critical primitive for physical action understanding. We demonstrate the utility of force for physical action understanding through application of FEEL to two families of tasks: (1) contact understanding, where we jointly perform temporal contact segmentation and pixel-level contacted object segmentation; and, (2) action representation learning, where force prediction serves as a self-supervised pretraining objective for video backbones. We achieve state-of-the-art temporal contact segmentation results and competitive pixel-level segmentation results without any need for manual contacted object segmentation annotations. Furthermore we demonstrate that action representation learning with FEEL improves transfer performance on action understanding tasks without any manual labels over EPIC-Kitchens, SomethingSomething-V2, EgoExo4D and Meccano.

We present a dataset for force-grounded, cross-view articulated manipulation that couples what is seen with what is done and what is felt during real human interaction. The dataset contains 3048 sequences across 381 articulated objects in 38 environments. Each object is operated in four embodiments - (i) human hand, (ii) human hand with a wrist-mounted camera, (iii) handheld UMI gripper, and (iv) a custom Hoi! gripper, where the tool embodiment provides end-effector forces and tactile sensing. Our dataset offers a holistic view of interaction understanding from video, enabling researchers to evaluate how well methods transfer between human and robotic viewpoints, but also investigate underexplored modalities such as interaction forces. The Project Website can be found at https://timengelbracht.github.io/Hoi-Dataset-Website/.

Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their thermal transport behaviors. These properties also impact optical, electronic, and magnetic characteristics through interactions between phonons and other quasiparticles and fields. In this study, we develop an automated first-principles workflow to calculate anharmonic phonon properties and build a comprehensive database encompassing more than 6,000 inorganic compounds. Utilizing this dataset, we train a graph neural network model to predict thermal conductivity values and spectra from structural parameters, demonstrating a scaling law in which prediction accuracy improves with increasing training data size. High-throughput screening with the model enables the identification of materials exhibiting extreme thermal conductivities -- both high and low. The resulting database offers valuable insights into the anharmonic behavior of phonons, thereby accelerating the design and development of advanced functional materials.

Dual-arm robotic grasping is crucial for handling large objects that require stable and coordinated manipulation. While single-arm grasping has been extensively studied, datasets tailored for dual-arm settings remain scarce. We introduce a large-scale dataset of 16 million dual-arm grasps, evaluated under improved force-closure constraints. Additionally, we develop a benchmark dataset containing 300 objects with approximately 30,000 grasps, evaluated in a physics simulation environment, providing a better grasp quality assessment for dual-arm grasp synthesis methods. Finally, we demonstrate the effectiveness of our dataset by training a Dual-Arm Grasp Classifier network that outperforms the state-of-the-art methods by 15\%, achieving higher grasp success rates and improved generalization across objects.

Molecular dynamics (MD) simulations play a crucial role in scientific research. Yet their computational cost often limits the timescales and system sizes that can be explored. Most data-driven efforts have been focused on reducing the computational cost of accurate interatomic forces required for solving the equations of motion. Despite their success, however, these machine learning interatomic potentials (MLIPs) are still bound to small time-steps. In this work, we introduce TrajCast, a transferable and data-efficient framework based on autoregressive equivariant message passing networks that directly updates atomic positions and velocities lifting the constraints imposed by traditional numerical integration. We benchmark our framework across various systems, including a small molecule, crystalline material, and bulk liquid, demonstrating excellent agreement with reference MD simulations for structural, dynamical, and energetic properties. Depending on the system, TrajCast allows for forecast intervals up to 30times larger than traditional MD time-steps, generating over 15 ns of trajectory data per day for a solid with more than 4,000 atoms. By enabling efficient large-scale simulations over extended timescales, TrajCast can accelerate materials discovery and explore physical phenomena beyond the reach of traditional simulations and experiments. An open-source implementation of TrajCast is accessible under https://github.com/IBM/trajcast.

In this paper, we address force-aware control and force distribution in robotic platforms with multi-fingered hands. Given a target goal and force estimates from tactile sensors, we design a controller that adapts the motion of the torso, arm, wrist, and fingers, redistributing forces to maintain stable contact with objects of varying mass distribution or unstable contacts. To estimate forces, we collect a dataset of tactile signals and ground-truth force measurements using five Xela magnetic sensors interacting with indenters, and train force estimators. We then introduce a model-based control scheme that minimizes the distance between the Center of Pressure (CoP) and the centroid of the fingertips contact polygon. Since our method relies on estimated forces rather than raw tactile signals, it has the potential to be applied to any sensor capable of force estimation. We validate our framework on a balancing task with five objects, achieving a 82.7% success rate, and further evaluate it in multi-object scenarios, achieving 80% accuracy. Code and data can be found here https://github.com/hsp-iit/multifingered-force-aware-control.

Data is the driving force of machine learning, with the amount and quality of training data often being more important for the performance of a system than architecture and training details. But collecting, processing and annotating real data at scale is difficult, expensive, and frequently raises additional privacy, fairness and legal concerns. Synthetic data is a powerful tool with the potential to address these shortcomings: 1) it is cheap 2) supports rich ground-truth annotations 3) offers full control over data and 4) can circumvent or mitigate problems regarding bias, privacy and licensing. Unfortunately, software tools for effective data generation are less mature than those for architecture design and training, which leads to fragmented generation efforts. To address these problems we introduce Kubric, an open-source Python framework that interfaces with PyBullet and Blender to generate photo-realistic scenes, with rich annotations, and seamlessly scales to large jobs distributed over thousands of machines, and generating TBs of data. We demonstrate the effectiveness of Kubric by presenting a series of 13 different generated datasets for tasks ranging from studying 3D NeRF models to optical flow estimation. We release Kubric, the used assets, all of the generation code, as well as the rendered datasets for reuse and modification.

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

Recent advancements in video generation have enabled the development of ``world models'' capable of simulating potential futures for robotics and planning. However, specifying precise goals for these models remains a challenge; text instructions are often too abstract to capture physical nuances, while target images are frequently infeasible to specify for dynamic tasks. To address this, we introduce Goal Force, a novel framework that allows users to define goals via explicit force vectors and intermediate dynamics, mirroring how humans conceptualize physical tasks. We train a video generation model on a curated dataset of synthetic causal primitives-such as elastic collisions and falling dominos-teaching it to propagate forces through time and space. Despite being trained on simple physics data, our model exhibits remarkable zero-shot generalization to complex, real-world scenarios, including tool manipulation and multi-object causal chains. Our results suggest that by grounding video generation in fundamental physical interactions, models can emerge as implicit neural physics simulators, enabling precise, physics-aware planning without reliance on external engines. We release all datasets, code, model weights, and interactive video demos at our project page.

Vision-Language-Action (VLA) models have advanced general-purpose robotic manipulation by leveraging pretrained visual and linguistic representations. However, they struggle with contact-rich tasks that require fine-grained control involving force, especially under visual occlusion or dynamic uncertainty. To address these limitations, we propose ForceVLA, a novel end-to-end manipulation framework that treats external force sensing as a first-class modality within VLA systems. ForceVLA introduces FVLMoE, a force-aware Mixture-of-Experts fusion module that dynamically integrates pretrained visual-language embeddings with real-time 6-axis force feedback during action decoding. This enables context-aware routing across modality-specific experts, enhancing the robot's ability to adapt to subtle contact dynamics. We also introduce ForceVLA-Data, a new dataset comprising synchronized vision, proprioception, and force-torque signals across five contact-rich manipulation tasks. ForceVLA improves average task success by 23.2\% over strong pi_0-based baselines, achieving up to 80\% success in tasks such as plug insertion. Our approach highlights the importance of multimodal integration for dexterous manipulation and sets a new benchmark for physically intelligent robotic control. Code and data will be released at https://sites.google.com/view/forcevla2025.

Effectively leveraging data from multiple quantum-chemical methods is essential for building machine-learned force fields (MLFFs) that are applicable to a wide range of chemical systems. This study systematically investigates two multi-fidelity training strategies, pre-training/fine-tuning and multi-headed training, to elucidate the mechanisms underpinning their success. We identify key factors driving the efficacy of pre-training followed by fine-tuning, but find that internal representations learned during pre-training are inherently method-specific, requiring adaptation of the model backbone during fine-tuning. Multi-headed models offer an extensible alternative, enabling simultaneous training on multiple fidelities. We demonstrate that a multi-headed model learns method-agnostic representations that allow for accurate predictions across multiple label sources. While this approach introduces a slight accuracy compromise compared to sequential fine-tuning, it unlocks new cost-efficient data generation strategies and paves the way towards developing universal MLFFs.

Human demonstrations offer a scalable data source for dexterous manipulation, but transferring them to robot actions remains challenging due to the embodiment gap. Today's retargeting is mostly kinematic, yet manipulation is decided by force, which governs how the hand interacts with the object and how the object moves. In this paper, we present ReForce, a Force-aware Retargeting method that turns human motion and forces into robot actions that reproduce the intended contact. ReForce predicts a residual on the kinematically retargeted action to reach the desired force, using a general force tracker trained on large-scale simulation interactions. It supports both online force-aware teleoperation and offline data translation. In simulation and on real hardware, ReForce achieves lower force-tracking error and stronger multi-finger contact engagement on contact-rich tasks such as paper-cup grasping and tongs manipulation.

In this paper, we tackle the problem of estimating 3D contact forces using vision-based tactile sensors. In particular, our goal is to estimate contact forces over a large range (up to 15 N) on any objects while generalizing across different vision-based tactile sensors. Thus, we collected a dataset of over 200K indentations using a robotic arm that pressed various indenters onto a GelSight Mini sensor mounted on a force sensor and then used the data to train a multi-head transformer for force regression. Strong generalization is achieved via accurate data collection and multi-objective optimization that leverages depth contact images. Despite being trained only on primitive shapes and textures, the regressor achieves a mean absolute error of 4\% on a dataset of unseen real-world objects. We further evaluate our approach's generalization capability to other GelSight mini and DIGIT sensors, and propose a reproducible calibration procedure for adapting the pre-trained model to other vision-based sensors. Furthermore, the method was evaluated on real-world tasks, including weighing objects and controlling the deformation of delicate objects, which relies on accurate force feedback. Project webpage: http://prg.cs.umd.edu/FeelAnyForce

Effectively utilizing multi-sensory data is important for robots to generalize across diverse tasks. However, the heterogeneous nature of these modalities makes fusion challenging. Existing methods propose strategies to obtain comprehensively fused features but often ignore the fact that each modality requires different levels of attention at different manipulation stages. To address this, we propose a force-guided attention fusion module that adaptively adjusts the weights of visual and tactile features without human labeling. We also introduce a self-supervised future force prediction auxiliary task to reinforce the tactile modality, improve data imbalance, and encourage proper adjustment. Our method achieves an average success rate of 93% across three fine-grained, contactrich tasks in real-world experiments. Further analysis shows that our policy appropriately adjusts attention to each modality at different manipulation stages. The videos can be viewed at https://adaptac-dex.github.io/.

Enabling robots with contact-rich manipulation remains a pivotal challenge in robot learning, which is substantially hindered by the data collection gap, including its inefficiency and limited sensor setup. While prior work has explored handheld paradigms, their rod-based mechanical structures remain rigid and unintuitive, providing limited tactile feedback and posing challenges for human operators. Motivated by the dexterity and force feedback of human motion, we propose FreeTacMan, a human-centric and robot-free data collection system for accurate and efficient robot manipulation. Concretely, we design a wearable gripper with dual visuo-tactile sensors for data collection, which can be worn by human fingers for intuitive control. A high-precision optical tracking system is introduced to capture end-effector poses while synchronizing visual and tactile feedback simultaneously. We leverage FreeTacMan to collect a large-scale multimodal dataset, comprising over 3000k paired visual-tactile images with end-effector poses, 10k demonstration trajectories across 50 diverse contact-rich manipulation tasks. FreeTacMan achieves multiple improvements in data collection performance compared to prior works, and enables effective policy learning for contact-rich manipulation tasks with self-collected dataset. The full suite of hardware specifications and the dataset will be released to facilitate reproducibility and support research in visuo-tactile manipulation.

Whole-body humanoid manipulation of bulky, deformable, and shared-load objects requires distributed contact sensing and explicit force regulation, yet most imitation policies treat contact force only implicitly. On the other hand, different demonstration sources provide complementary modalities with inherent trade-offs: human demonstrations capture natural contact forces but not robot-executable actions, while teleoperation directly records robot actions but with less natural force regulation. This paper presents WT-UMI, a wearable whole-body tactile interface worn by human operators or mounted on humanoids, providing accurate observations of tactile images, contact forces, and end-effector poses across both human demonstration and humanoid teleoperation modes. We introduce a force-conditioned target-pose correction module that converts measured human poses into contact-aware robot targets by learning corrections from teleoperation data. To leverage the natural force interaction in human data, we propose a force-supervised planner that predicts end-effector pose chunks and contact-force trajectories. The predicted contact force serves as the reference for a tactile-based admittance controller. Across five contact-rich tasks spanning deformable objects, bulky rigid objects, and human--humanoid collaboration, WT-UMI improves success rate and reduces contact-position tracking error over four policy baselines. Our project page is available at https://wt-umi.github.io/WTUMI/.

Contact-rich manipulation remains a major challenge in robotics. Optical tactile sensors like GelSight Mini offer a low-cost solution for contact sensing by capturing soft-body deformations of the silicone gel. However, accurately inferring shear and normal force distributions from these gel deformations has yet to be fully addressed. In this work, we propose a machine learning approach using a U-net architecture to predict force distributions directly from the sensor's raw images. Our model, trained on force distributions inferred from fea, demonstrates promising accuracy in predicting normal and shear force distributions for the commercially available GelSight Mini sensor. It also shows potential for generalization across indenters, sensors of the same type, and for enabling real-time application. The codebase, dataset and models are open-sourced and available at https://feats-ai.github.io .

This paper presents a new open-source high-fidelity dataset for Machine Learning (ML) containing 355 geometric variants of the Windsor body, to help the development and testing of ML surrogate models for external automotive aerodynamics. Each Computational Fluid Dynamics (CFD) simulation was run with a GPU-native high-fidelity Wall-Modeled Large-Eddy Simulations (WMLES) using a Cartesian immersed-boundary method using more than 280M cells to ensure the greatest possible accuracy. The dataset contains geometry variants that exhibits a wide range of flow characteristics that are representative of those observed on road-cars. The dataset itself contains the 3D time-averaged volume & boundary data as well as the geometry and force & moment coefficients. This paper discusses the validation of the underlying CFD methods as well as contents and structure of the dataset. To the authors knowledge, this represents the first, large-scale high-fidelity CFD dataset for the Windsor body with a permissive open-source license (CC-BY-SA).

While hundreds of artificial intelligence (AI) algorithms are now approved or cleared by the US Food and Drugs Administration (FDA), many studies have shown inconsistent generalization or latent bias, particularly for underrepresented populations. Some have proposed that generative AI could reduce the need for real data, but its utility in model development remains unclear. Skin disease serves as a useful case study in synthetic image generation due to the diversity of disease appearance, particularly across the protected attribute of skin tone. Here we show that latent diffusion models can scalably generate images of skin disease and that augmenting model training with these data improves performance in data-limited settings. These performance gains saturate at synthetic-to-real image ratios above 10:1 and are substantially smaller than the gains obtained from adding real images. As part of our analysis, we generate and analyze a new dataset of 458,920 synthetic images produced using several generation strategies. Our results suggest that synthetic data could serve as a force-multiplier for model development, but the collection of diverse real-world data remains the most important step to improve medical AI algorithms.

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

We consider the problem of learning the best possible policy from a fixed dataset, known as offline Reinforcement Learning (RL). A common taxonomy of existing offline RL works is policy regularization, which typically constrains the learned policy by distribution or support of the behavior policy. However, distribution and support constraints are overly conservative since they both force the policy to choose similar actions as the behavior policy when considering particular states. It will limit the learned policy's performance, especially when the behavior policy is sub-optimal. In this paper, we find that regularizing the policy towards the nearest state-action pair can be more effective and thus propose Policy Regularization with Dataset Constraint (PRDC). When updating the policy in a given state, PRDC searches the entire dataset for the nearest state-action sample and then restricts the policy with the action of this sample. Unlike previous works, PRDC can guide the policy with proper behaviors from the dataset, allowing it to choose actions that do not appear in the dataset along with the given state. It is a softer constraint but still keeps enough conservatism from out-of-distribution actions. Empirical evidence and theoretical analysis show that PRDC can alleviate offline RL's fundamentally challenging value overestimation issue with a bounded performance gap. Moreover, on a set of locomotion and navigation tasks, PRDC achieves state-of-the-art performance compared with existing methods. Code is available at https://github.com/LAMDA-RL/PRDC

Recent advancements in protein structure determination are revolutionizing our understanding of proteins. Still, a significant gap remains in the availability of comprehensive datasets that focus on the dynamics of proteins, which are crucial for understanding protein function, folding, and interactions. To address this critical gap, we introduce mdCATH, a dataset generated through an extensive set of all-atom molecular dynamics simulations of a diverse and representative collection of protein domains. This dataset comprises all-atom systems for 5,398 domains, modeled with a state-of-the-art classical force field, and simulated in five replicates each at five temperatures from 320 K to 413 K. The mdCATH dataset records coordinates and forces every 1 ns, for over 62 ms of accumulated simulation time, effectively capturing the dynamics of the various classes of domains and providing a unique resource for proteome-wide statistical analyses of protein unfolding thermodynamics and kinetics. We outline the dataset structure and showcase its potential through four easily reproducible case studies, highlighting its capabilities in advancing protein science.

Salient object detection exemplifies data-bounded tasks where expensive pixel-precise annotations force separate model training for related subtasks like DIS and HR-SOD. We present a method that dramatically improves generalization through large-scale synthetic data generation and ambiguity-aware architecture. We introduce S3OD, a dataset of over 139,000 high-resolution images created through our multi-modal diffusion pipeline that extracts labels from diffusion and DINO-v3 features. The iterative generation framework prioritizes challenging categories based on model performance. We propose a streamlined multi-mask decoder that naturally handles the inherent ambiguity in salient object detection by predicting multiple valid interpretations. Models trained solely on synthetic data achieve 20-50% error reduction in cross-dataset generalization, while fine-tuned versions reach state-of-the-art performance across DIS and HR-SOD benchmarks.

Recent advances in diffusion-based generative models have demonstrated significant potential in augmenting scarce datasets for object detection tasks. Nevertheless, most recent models rely on resource-intensive full fine-tuning of large-scale diffusion models, requiring enterprise-grade GPUs (e.g., NVIDIA V100) and thousands of synthetic images. To address these limitations, we propose Flux LoRA Augmentation (FLORA), a lightweight synthetic data generation pipeline. Our approach uses the Flux 1.1 Dev diffusion model, fine-tuned exclusively through Low-Rank Adaptation (LoRA). This dramatically reduces computational requirements, enabling synthetic dataset generation with a consumer-grade GPU (e.g., NVIDIA RTX 4090). We empirically evaluate our approach on seven diverse object detection datasets. Our results demonstrate that training object detectors with just 500 synthetic images generated by our approach yields superior detection performance compared to models trained on 5000 synthetic images from the ODGEN baseline, achieving improvements of up to 21.3% in mAP@.50:.95. This work demonstrates that it is possible to surpass state-of-the-art performance with far greater efficiency, as FLORA achieves superior results using only 10% of the data and a fraction of the computational cost. This work demonstrates that a quality and efficiency-focused approach is more effective than brute-force generation, making advanced synthetic data creation more practical and accessible for real-world scenarios.

Robotic manipulation remains a core challenge in robotics, particularly for contact-rich tasks such as industrial assembly and disassembly. Existing datasets have significantly advanced learning in manipulation but are primarily focused on simpler tasks like object rearrangement, falling short of capturing the complexity and physical dynamics involved in assembly and disassembly. To bridge this gap, we present REASSEMBLE (Robotic assEmbly disASSEMBLy datasEt), a new dataset designed specifically for contact-rich manipulation tasks. Built around the NIST Assembly Task Board 1 benchmark, REASSEMBLE includes four actions (pick, insert, remove, and place) involving 17 objects. The dataset contains 4,551 demonstrations, of which 4,035 were successful, spanning a total of 781 minutes. Our dataset features multi-modal sensor data, including event cameras, force-torque sensors, microphones, and multi-view RGB cameras. This diverse dataset supports research in areas such as learning contact-rich manipulation, task condition identification, action segmentation, and task inversion learning. The REASSEMBLE will be a valuable resource for advancing robotic manipulation in complex, real-world scenarios. The dataset is publicly available on our project website: https://tuwien-asl.github.io/REASSEMBLE_page/.

The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest.

Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale for high-throughput defect databases. However, these methods are computationally expensive, making machine-learning force fields (MLFFs) an attractive alternative for accelerating structural relaxations. Most existing MLFFs are based on graph neural networks (GNNs), which can suffer from oversmoothing and poor representation of long-range interactions. Both of these issues are especially of concern when modeling point defects. To address these challenges, we introduce the Accelerated Deep Atomic Potential Transformer (ADAPT), an MLFF that replaces graph representations with a direct coordinates-in-space formulation and explicitly considers all pairwise atomic interactions. Atoms are treated as tokens, with a Transformer encoder modeling their interactions. Applied to a dataset of silicon point defects, ADAPT achieves a roughly 33 percent reduction in both force and energy prediction errors relative to a state-of-the-art GNN-based model, while requiring only a fraction of the computational cost.

Machine learning (ML) is increasingly used in structural engineering and design, yet its broader adoption is hampered by the lack of openly accessible datasets of structural systems. We introduce BridgeNet, a publicly available graph-based dataset of 20,000 form-found bridge structures aimed at enabling Graph ML and multi-modal learning in the context of conceptual structural design. Each datapoint consists of (i) a pin-jointed equilibrium wireframe model generated with the Combinatorial Equilibrium Modeling (CEM) form-finding method, (ii) a volumetric 3D mesh obtained through force-informed materialization, and (iii) rendered images from two canonical camera angles. The resulting dataset is modality-rich and application-agnostic, supporting tasks such as CEM-specific edge classification and parameter inference, surrogate modeling of form-finding, cross-modal reconstruction between graphs, meshes and images, and generative structural design. BridgeNet addresses a key bottleneck in data-driven applications for structural engineering and design by providing a dataset that facilitates the development of new ML-based approaches for equilibrium bridge structures.

A key challenge in robotic manipulation in open domains is how to acquire diverse and generalizable skills for robots. Recent research in one-shot imitation learning has shown promise in transferring trained policies to new tasks based on demonstrations. This feature is attractive for enabling robots to acquire new skills and improving task and motion planning. However, due to limitations in the training dataset, the current focus of the community has mainly been on simple cases, such as push or pick-place tasks, relying solely on visual guidance. In reality, there are many complex skills, some of which may even require both visual and tactile perception to solve. This paper aims to unlock the potential for an agent to generalize to hundreds of real-world skills with multi-modal perception. To achieve this, we have collected a dataset comprising over 110,000 contact-rich robot manipulation sequences across diverse skills, contexts, robots, and camera viewpoints, all collected in the real world. Each sequence in the dataset includes visual, force, audio, and action information. Moreover, we also provide a corresponding human demonstration video and a language description for each robot sequence. We have invested significant efforts in calibrating all the sensors and ensuring a high-quality dataset. The dataset is made publicly available at rh20t.github.io

Robot manipulation often relies on sensory feedback beyond vision, particularly in contact-rich settings where force, tactile, or audio signals reveal interaction states that are not directly observable from images. However, these modalities are often hardware- and task-specific, and large-scale multisensory robot datasets remain scarce. As a result, it is impractical to pretrain policies with every sensor they may encounter. We study multisensory continual learning: adapting a pretrained robot policy such as a World-Action Model or VLA to new tasks with newly introduced modalities while preserving performance under the original sensor suite. We propose MultiSensory World Model (MuSe), which incorporates limited multisensory data into pretrained vision-only policies through multi-stage fusion, multisensory future prediction, and experience replay over pretraining data. We instantiate MuSe by augmenting a pretrained vision-only World-Action Model with tactile force-torque sensing and evaluate it on real-world manipulation tasks. Our experiments show that MuSe performs strongly on contact-rich finetuning tasks while preserving, and in some cases improving, performance on the original pretraining tasks. These results suggest that a modest multisensory dataset can improve general robot capabilities beyond the finetuning distribution. Project website: https://jadenvc.github.io/multisensory-continual-learning/

Today, E-commerce sellers face several key challenges, including difficulties in discovering and effectively utilizing available programs and tools, and struggling to understand and utilize rich data from various tools. We therefore aim to develop Insight Agents (IA), a conversational multi-agent Data Insight system, to provide E-commerce sellers with personalized data and business insights through automated information retrieval. Our hypothesis is that IA will serve as a force multiplier for sellers, thereby driving incremental seller adoption by reducing the effort required and increase speed at which sellers make good business decisions. In this paper, we introduce this novel LLM-backed end-to-end agentic system built on a plan-and-execute paradigm and designed for comprehensive coverage, high accuracy, and low latency. It features a hierarchical multi-agent structure, consisting of manager agent and two worker agents: data presentation and insight generation, for efficient information retrieval and problem-solving. We design a simple yet effective ML solution for manager agent that combines Out-of-Domain (OOD) detection using a lightweight encoder-decoder model and agent routing through a BERT-based classifier, optimizing both accuracy and latency. Within the two worker agents, a strategic planning is designed for API-based data model that breaks down queries into granular components to generate more accurate responses, and domain knowledge is dynamically injected to to enhance the insight generator. IA has been launched for Amazon sellers in US, which has achieved high accuracy of 90% based on human evaluation, with latency of P90 below 15s.

Many contact-rich tasks humans perform, such as box pickup or rolling dough, rely on force feedback for reliable execution. However, this force information, which is readily available in most robot arms, is not commonly used in teleoperation and policy learning. Consequently, robot behavior is often limited to quasi-static kinematic tasks that do not require intricate force-feedback. In this paper, we first present a low-cost, intuitive, bilateral teleoperation setup that relays external forces of the follower arm back to the teacher arm, facilitating data collection for complex, contact-rich tasks. We then introduce FACTR, a policy learning method that employs a curriculum which corrupts the visual input with decreasing intensity throughout training. The curriculum prevents our transformer-based policy from over-fitting to the visual input and guides the policy to properly attend to the force modality. We demonstrate that by fully utilizing the force information, our method significantly improves generalization to unseen objects by 43\% compared to baseline approaches without a curriculum. Video results, codebases, and instructions at https://jasonjzliu.com/factr/

Preparing high quality training data for foundation models requires scalable pipelines that transform heterogeneous documents and videos into structured records. Such pipelines expand each parent item into an ordered and input dependent sequence of children, whose counts may be long tailed. GPUs should batch children across parents while preserving parent relationships, child order, completion status, and result routing. Existing systems either hide parallelism behind coarse grained jobs or expose flat records that force applications to manage lineage and regrouping. We present RayOrch, a programming model and distributed execution engine that preserves parent child relations throughout execution. Programs declare ordered variable cardinality expansions and matching gathers. The compiler validates each pair, while the runtime records child membership, immediate parents, immutable ordinals, and terminal states. Per Call FIFO Ready Queues batch ready children across parents. Gathers reconstruct results from declared membership and ordinals rather than batch boundaries or completion order. Parents can advance as soon as all required children become terminal. Typed parent scoped failures suppress undispatched siblings of the failed parent while allowing unrelated parents to continue. On NVIDIA H20 GPUs, RayOrch achieves 15.14 times speedup when scaling MinerU from 4 to 64 GPUs and 7.82 times speedup when scaling a video pipeline from 8 to 64 GPUs. It reduces end to end time by 13.1 percent versus Ray Data and 29.0 percent versus Daft on MinerU, and by 16.0 percent versus Ray Data on Docling. Code available at https://github.com/OpenDCAI/RayOrch .

Unified atomistic modeling has the potential to accelerate discovery in chemistry, materials science, and biology by bridging data-rich chemical domains and data-scarce biological contexts. However, existing generative approaches to atomistic modeling remain highly specialized to scientific disciplines (chemistry vs. biology) or do not leverage both high-volume organic (molecule) and inorganic (material) data for general-purpose pretraining. To this end, we introduce Zatom-2, an atomistic generative model pretrained on approximately five million structures from the OMol25 and OMat24 electronic structure datasets. Zatom-2 features a multiscale Transformer architecture coupled with conditional flow matching that supports force conditioning and foundational pretraining tasks such as generation, structure prediction, and prediction of molecular and material energies and forces. Empirically, Zatom-2 achieves better molecular distribution fidelity than Zatom-1 and achieves strong performance on existing molecule and material generation benchmarks. Zatom-2 demonstrates the ability to control sample generation across low- and high-force regimes, and enhances protein generation in a low-data setting through joint generative-predictive pretraining and transfer learning, increasing protein backbone designability in a length extrapolation setting from 67.8% without pretraining to 74.8% after finetuning on 2,000 protein domains.

Audio-driven streaming avatar generation requires real-time synthesis of speech-synchronized videos with dynamic and diverse motion. Self Forcing uses Distribution Matching Distillation (DMD) to distill bidirectional video diffusion models into causal, few-step generators for real-time streaming. However, DMD minimizes a reverse KL divergence, which is inherently mode-seeking: it causes the student to discard high-dynamic modes and collapse onto static outputs, compressing both dynamics and diversity of generated videos. We find that this collapse is region-heterogeneous: person regions involving pose and gesture variations suffer the largest diversity loss, the audio-driven mouth region shows a small loss, and the background remains nearly stable. Based on this observation, we propose Routed Forcing, which routes the distillation objective by semantic region and noise stage to improve dynamics and diversity while preserving visual quality. Specifically, (1) Where to Force: Semantic-Region Routing applies Data-Forcing Distillation (DFD), which supervises the student with real videos, to the person region where diversity collapse is most severe, while retaining DMD for the mouth and background to preserve lip synchronization and scene stability. (2) When to Force: Noise-Stage Routing activates DFD at high noise stages, where real video serves as effective supervision to inject diverse and dynamic motion patterns. At low noise stages, DMD is used to refine details, avoiding blur and artifacts from spatial differences between real video and student-generated video. Experiments show that Routed Forcing improves dynamics by up to 45% and diversity by 7-25% over Self Forcing, while preserving video quality and lip synchronization.

Non-prehensile manipulation is challenging due to complex contact interactions between objects, the environment, and robots. Model-based approaches can efficiently generate complex trajectories of robots and objects under contact constraints. However, they tend to be sensitive to model inaccuracies and require access to privileged information (e.g., object mass, size, pose), making them less suitable for novel objects. In contrast, learning-based approaches are typically more robust to modeling errors but require large amounts of data. In this paper, we bridge these two approaches to propose a framework for learning closed-loop pivoting manipulation. By leveraging computationally efficient Contact-Implicit Trajectory Optimization (CITO), we design demonstration-guided deep Reinforcement Learning (RL), leading to sample-efficient learning. We also present a sim-to-real transfer approach using a privileged training strategy, enabling the robot to perform pivoting manipulation using only proprioception, vision, and force sensing without access to privileged information. Our method is evaluated on several pivoting tasks, demonstrating that it can successfully perform sim-to-real transfer. The overview of our method and the hardware experiments are shown at https://youtu.be/akjGDgfwLbM?si=QVw6ExoPy2VsU2g6

Catalysis at solid-liquid interfaces plays a central role in the advancement of energy storage and sustainable chemical production technologies. By enabling accurate, long-time scale simulations, machine learning (ML) models have the potential to accelerate the discovery of (electro)catalysts. While prior Open Catalyst datasets (OC20 and OC22) have advanced the field by providing large-scale density functional theory (DFT) data of adsorbates on surfaces at solid-gas interfaces, they do not capture the critical role of solvent and electrolyte effects at solid-liquid interfaces. To bridge this gap, we introduce the Open Catalyst 2025 (OC25) dataset, consisting of 7,801,261 calculations across 1,511,270 unique explicit solvent environments. OC25 constitutes the largest and most diverse solid-liquid interface dataset that is currently available and provides configurational and elemental diversity: spanning 88 elements, commonly used solvents/ions, varying solvent layers, and off-equilibrium sampling. State-of-the-art models trained on the OC25 dataset exhibit energy, force, and solvation energy errors as low as 0.1 eV, 0.015 eV/A, and 0.04 eV, respectively; significantly lower than than the recently released Universal Models for Atoms (UMA-OC20). Additionally, we discuss the impact of the quality of DFT-calculated forces on model training and performance. The dataset and accompanying baseline models are made openly available for the community. We anticipate the dataset to facilitate large length-scale and long-timescale simulations of catalytic transformations at solid-liquid interfaces, advancing molecular-level insights into functional interfaces and enabling the discovery of next-generation energy storage and conversion technologies.

Classical force fields (FF) based on machine learning (ML) methods show great potential for large scale simulations of materials. MLFFs have hitherto largely been designed and fitted for specific systems and are not usually transferable to chemistries beyond the specific training set. We develop a unified atomisitic line graph neural network-based FF (ALIGNN-FF) that can model both structurally and chemically diverse materials with any combination of 89 elements from the periodic table. To train the ALIGNN-FF model, we use the JARVIS-DFT dataset which contains around 75000 materials and 4 million energy-force entries, out of which 307113 are used in the training. We demonstrate the applicability of this method for fast optimization of atomic structures in the crystallography open database and by predicting accurate crystal structures using genetic algorithm for alloys.

As robots transition from controlled settings to unstructured human environments, building generalist agents that can reliably follow natural language instructions remains a central challenge. Progress in robust mobile manipulation requires large-scale multimodal datasets that capture contact-rich and long-horizon tasks, yet existing resources lack synchronized force-torque sensing, hierarchical annotations, and explicit failure cases. We address this gap with the AIRoA MoMa Dataset, a large-scale real-world multimodal dataset for mobile manipulation. It includes synchronized RGB images, joint states, six-axis wrist force-torque signals, and internal robot states, together with a novel two-layer annotation schema of sub-goals and primitive actions for hierarchical learning and error analysis. The initial dataset comprises 25,469 episodes (approx. 94 hours) collected with the Human Support Robot (HSR) and is fully standardized in the LeRobot v2.1 format. By uniquely integrating mobile manipulation, contact-rich interaction, and long-horizon structure, AIRoA MoMa provides a critical benchmark for advancing the next generation of Vision-Language-Action models. The first version of our dataset is now available at https://huggingface.co/datasets/airoa-org/airoa-moma .

Egocentric human video data, which captures rich human-environment interactions and can be collected at scale, has become a key driver of embodied intelligence research. However, existing egocentric datasets typically lack tactile sensing, a critical modality that provides direct cues about contact, force, and pressure in human-object interaction. Without such signals, models struggle to learn physically grounded representations of real-world interaction dynamics. While tactile sensors provide these cues, deploying high-quality tactile hardware at scale remains expensive and cumbersome. This raises a central question: can tactile feedback be inferred directly from visual observations, enabling scalable tactile supervision for egocentric video data and supporting physically grounded embodied learning? To enable research in this direction, we introduce EgoTouch, a large-scale multi-view egocentric dataset with dense tactile supervision for bimanual hand-object interaction. EgoTouch comprises 208 manipulation tasks spanning 1,891 episodes in diverse indoor and outdoor environments, with synchronized multi-view RGB (head-mounted egocentric and dual wrist-mounted cameras), bimanual 3D hand pose, and continuous pressure maps from wearable tactile sensors. Building on EgoTouch, we introduce TouchAnything, a baseline multi-view vision-to-touch prediction framework that uses the egocentric view as the primary input and flexibly leverages available wrist-mounted views at inference time. Experiments show that incorporating wrist-mounted views generally improves tactile prediction over egocentric-only input, achieving up to 5.0% relative improvement in Contact IoU and 6.1% relative improvement in Volumetric IoU. We will publicly release the dataset, code, and benchmark.

Understanding hand-object interaction from egocentric vision is essential for modeling how people physically engage with the surrounding world. Yet reasoning about physically grounded interaction requires estimating the forces acting on hands and objects, beyond localizing contact. We present EgoPHI, the first method that jointly estimates dense contact maps and 3D force distributions on hand and object meshes from a single monocular RGB image and object geometry. To address the lack of scalable ground-truth force annotations, we introduce a physics-based simulation pipeline that augments existing hand-object datasets with dense per-vertex force supervision. EgoPHI then learns dense 3D contact and force on interacting hand and articulated object meshes, extending vision-based force estimation beyond image-space or planar settings. Our evaluation on in-distribution and out-of-distribution benchmarks shows that EgoPHI improves force estimation over existing approaches while generalizing to unseen datasets. To evaluate sim-to-real transfer, we constructed two physical objects that capture dense object contact and force magnitude and used them to record a dataset of interactions from eight participants across diverse touch and grasp types. Our results demonstrate that EgoPHI recovers meaningful 3D contact and force distributions in simulated, out-of-distribution, and real-world settings, advancing egocentric hand-object understanding from contact localization toward physically grounded interaction reasoning.

Haptic sciences and technologies benefit greatly from comprehensive datasets that capture tactile stimuli under controlled, systematic conditions. However, existing haptic datasets collect data through uncontrolled exploration, which hinders the systematic analysis of how motion parameters (e.g., motion direction and velocity) influence tactile perception. This paper introduces Cluster Haptic Texture Dataset, a multimodal dataset recorded using a 3-axis machine with an artificial finger to precisely control sliding velocity and direction. The dataset encompasses 118 textured surfaces across 9 material categories, with recordings at 5 velocity levels (20-60 mm/s) and 8 directions. Each surface was tested under 160 conditions, yielding 18,880 synchronized recordings of audio, acceleration, force, position, and visual data. Validation using convolutional neural networks demonstrates classification accuracies of 96% for texture recognition, 88.76% for velocity estimation, and 78.79% for direction estimation, confirming the dataset's utility for machine learning applications. This resource enables research in haptic rendering, texture recognition algorithms, and human tactile perception mechanisms, supporting the development of realistic haptic interfaces for virtual reality systems and robotic applications.

Safe yet stable grasping requires a robotic hand to apply sufficient force on the object to immobilize it while keeping it from getting damaged. Soft robotic hands have been proposed for safe grasping due to their passive compliance, but even such a hand can crush objects if the applied force is too high. Thus for safe grasping, regulating the grasping force is of uttermost importance even with soft hands. In this work, we present a force controlled soft hand and use it to achieve safe grasping. To this end, resistive force and bend sensors are integrated in a soft hand, and a data-driven calibration method is proposed to estimate contact interaction forces. Given the force readings, the pneumatic pressures are regulated using a proportional-integral controller to achieve desired force. The controller is experimentally evaluated and benchmarked by grasping easily deformable objects such as plastic and paper cups without neither dropping nor deforming them. Together, the results demonstrate that our force controlled soft hand can grasp deformable objects in a safe yet stable manner.

It is commonplace to encounter heterogeneous or nonstationary data, of which the underlying generating process changes across domains or over time. Such a distribution shift feature presents both challenges and opportunities for causal discovery. In this paper, we develop a framework for causal discovery from such data, called Constraint-based causal Discovery from heterogeneous/NOnstationary Data (CD-NOD), to find causal skeleton and directions and estimate the properties of mechanism changes. First, we propose an enhanced constraint-based procedure to detect variables whose local mechanisms change and recover the skeleton of the causal structure over observed variables. Second, we present a method to determine causal orientations by making use of independent changes in the data distribution implied by the underlying causal model, benefiting from information carried by changing distributions. After learning the causal structure, next, we investigate how to efficiently estimate the "driving force" of the nonstationarity of a causal mechanism. That is, we aim to extract from data a low-dimensional representation of changes. The proposed methods are nonparametric, with no hard restrictions on data distributions and causal mechanisms, and do not rely on window segmentation. Furthermore, we find that data heterogeneity benefits causal structure identification even with particular types of confounders. Finally, we show the connection between heterogeneity/nonstationarity and soft intervention in causal discovery. Experimental results on various synthetic and real-world data sets (task-fMRI and stock market data) are presented to demonstrate the efficacy of the proposed methods.

Teleoperation systems are essential for efficiently collecting diverse and high-quality robot demonstration data, especially for complex, contact-rich tasks. However, current teleoperation platforms typically lack integrated force feedback, cross-embodiment generalization, and portable, user-friendly designs, limiting their practical deployment. To address these limitations, we introduce ACE-F, a cross embodiment foldable teleoperation system with integrated force feedback. Our approach leverages inverse kinematics (IK) combined with a carefully designed human-robot interface (HRI), enabling users to capture precise and high-quality demonstrations effortlessly. We further propose a generalized soft-controller pipeline integrating PD control and inverse dynamics to ensure robot safety and precise motion control across diverse robotic embodiments. Critically, to achieve cross-embodiment generalization of force feedback without additional sensors, we innovatively interpret end-effector positional deviations as virtual force signals, which enhance data collection and enable applications in imitation learning. Extensive teleoperation experiments confirm that ACE-F significantly simplifies the control of various robot embodiments, making dexterous manipulation tasks as intuitive as operating a computer mouse. The system is open-sourced at: https://acefoldable.github.io/

Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enabling direct evaluation of energies and forces from their predictions. However, despite their physical grounding, existing Hamiltonian models are evaluated mainly by reconstruction metrics, leaving it unclear how well they perform as energy-force predictors. We address this gap with a benchmark that computes energies and forces directly from predicted Hamiltonians. Within this framework, we propose QHFlow2, a state-of-the-art Hamiltonian model with an SO(2)-equivariant backbone and a two-stage edge update. QHFlow2 achieves 40% lower Hamiltonian error than the previous best model with fewer parameters. Under direct evaluation on MD17/rMD17, it is the first Hamiltonian model to reach NequIP-level force accuracy while achieving up to 20times lower energy MAE. On QH9, QHFlow2 reduces energy error by up to 20times compared to MACE. Finally, we demonstrate that QHFlow2 exhibits consistent scaling behavior with respect to model capacity and data, and that improvements in Hamiltonian accuracy effectively translate into more accurate energy and force computations.

Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of condensed-matter lattice models with coupled electronic and structural or magnetic degrees of freedom. However, most existing formulations rely on hand-crafted, symmetry-aware descriptors, whose construction is often system-specific and can hinder generality and transferability across different lattice Hamiltonians. Here we introduce a symmetry-preserving framework based on equivariant neural networks (ENNs) that provides a general, data-driven mapping from local configurations of dynamical variables to the associated on-site forces in a lattice Hamiltonian. In contrast to ENN architectures developed for molecular systems -- where continuous Euclidean symmetries dominate -- our approach aims to embed the discrete point-group and internal symmetries intrinsic to lattice models directly into the neural-network representation of the force field. As a proof of principle, we construct an ENN-based force-field model for the adiabatic dynamics of the Holstein Hamiltonian on a square lattice, a canonical system for electron-lattice physics. The resulting ML-enabled large-scale dynamical simulations faithfully capture mesoscale evolution of the symmetry-breaking phase, illustrating the utility of lattice-equivariant architectures for linking microscopic electronic processes to emergent dynamical behavior in condensed-matter lattice systems.

The demand for safe, high-energy-density batteries has spotlighted halide solid-state electrolytes, which offer the potential for enhanced ionic mobility, electrochemical stability, and interfacial deformability. Accelerating their discovery requires extensive molecular dynamics, which has been increasingly enabled by universal machine learning interatomic potentials trained on foundational datasets. However, the dynamic softness of halides poses a stringent test of whether general-purpose models can reliably replace first-principles calculations under the highly distorted, elevated-temperature regimes necessary to probe ion transport. Here, we present AQVolt26, a dataset of 322,656 r^2SCAN single-point calculations for lithium halides, generated via high-temperature configurational sampling across sim5K structures. We demonstrate that foundational datasets provide a strong baseline for stable halide chemistries and transfer local forces well, however absolute energy predictions degrade in distorted higher-temperature regimes. Co-training with AQVolt26 resolves this blind spot. Furthermore, incorporating Materials Project relaxation data improves near-equilibrium performance but degrades extreme-strain robustness without enhancing high-temperature force accuracy. These results demonstrate that domain-specific configurational sampling is essential for the reliable dynamic screening of halide electrolytes. Furthermore, our findings suggest that while foundational models provide a robust base, they are most effective for dynamically soft solid-state chemistries when augmented with targeted, high-temperature data. Finally, we show that near-equilibrium relaxation data serves as a task-specific complement rather than a universally beneficial addition.

Large Language Models (LLMs) obey consistent scaling laws -- empirical power-law fits that predict how loss decreases with compute, data, and parameters. While predictive, these laws are descriptive rather than prescriptive: they characterize typical training, not optimal training. Surprisingly few works have successfully challenged the data-efficiency bounds implied by these laws -- which is our primary focus. To that end, we introduce the Geodesic Hypothesis, positing that token sequences trace geodesics on a smooth semantic manifold and are therefore locally linear. Building on this principle, we propose a novel Semantic Tube Prediction (STP) task, a JEPA-style regularizer that confines hidden-state trajectories to a tubular neighborhood of the geodesic. STP generalizes JEPA to language without requiring explicit multi-view augmentations. We show this constraint improves signal-to-noise ratio, and consequently preserves diversity by preventing trajectory collisions during inference. Empirically, STP allows LLMs to match baseline accuracy with 16times less training data on the NL-RX-SYNTH dataset, directly violating the data term of Chinchilla-style scaling laws and demonstrating that principled geometric priors can surpass brute-force scaling. Code is available at https://github.com/galilai-group/llm-jepa#stp.

Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evaluation has been limited to computational benchmarks that may not reflect real-world performance. Here, we present UniFFBench, a comprehensive framework for evaluating UMLFFs against experimental measurements of ~1,500 carefully curated mineral structures spanning diverse chemical environments, bonding types, structural complexity, and elastic properties. Our systematic evaluation of six state-of-the-art UMLFFs reveals a substantial reality gap: models achieving impressive performance on computational benchmarks often fail when confronted with experimental complexity. Even the best-performing models exhibit higher density prediction error than the threshold required for practical applications. Most strikingly, we observe disconnects between simulation stability and mechanical property accuracy, with prediction errors correlating with training data representation rather than the modeling method. These findings demonstrate that while current computational benchmarks provide valuable controlled comparisons, they may overestimate model reliability when extrapolated to experimentally complex chemical spaces. Altogether, UniFFBench establishes essential experimental validation standards and reveals systematic limitations that must be addressed to achieve truly universal force field capabilities.

Tactile sensing is essential for robots to achieve human-like gentle manipulation. However, existing Vision-Language-Action (VLA) models struggle to exploit tactile feedback for gentle manipulation due to scarce aligned vision-tactile-language data and the lack of effective closed-loop force feedback mechanisms. To address these challenges, we introduce Tabero, a benchmark and model suite for gentle, language-conditioned robotic manipulation that demands fine-grained contact force perception. First, the Tabero benchmark addresses the scarcity of tactile data by presenting a data-efficient pipeline that repurposes open-source robot manipulation trajectories to generate diverse vision-tactile-language tasks, and establishes a multidimensional evaluation protocol that measures task success alongside physical interaction quality. Second, we propose Tabero-VTLA, an architecture with a decoupled force-position command interface; the resulting force-position commands are executed by a fixed hybrid controller to enable real-time, force-aware manipulation. Evaluated on Tabero, our model maintains high task success while reducing average grip force by over 70\% under gentle instructions, demonstrating its ability to modulate interaction forces based on multimodal experience. Our code is publicly available at https://github.com/NathanWu7/Tabero.

Coding agents repeatedly search, navigate, and retain context from evolving repositories, but disconnected indexes, language servers, and task-local histories force repeated discovery and obscure lifecycle costs. CodeNib builds reusable lexical, dense, and structural views per repository commit, maps outputs to repository-relative source ranges, maintains selected views across edits, and serves ranked search, symbol navigation, and bounded context through one runtime. Across 100 snapshots, we map quality-cost frontiers across the repository-context lifecycle. When outputs match an independent rebuild, graph and vector updates are 8.7times and 25.4times faster at the median. On the static-navigation subset matching normalized live-server locations (63% of 1,000 requests), the median per-request live/static latency ratio is 4.7times. Across five models, selected context policies preserve localization with 50--87% fewer trajectory tokens than paired grep/read. Together, these results support multi-view repository-context serving with explicit, operation-specific validity boundaries.

Vision-based tactile sensing is widely used in perception, reconstruction, and robotic manipulation, yet collecting large-scale tactile data remains costly due to diverse sensor-object interactions and inconsistencies across sensor instances. Existing approaches to scaling tactile data---simulation and free-form tactile generation---often yield unrealistically rendered signals with poor transfer to highly dynamic real-world tasks. We propose \name, a two-stage controllable tactile image generation framework that generates realistic tactile images conditioned on a single reference tactile image, contact force, and contact pose. By grounding generation in these important physical priors, \name synthesizes realistic samples across different sensors while effectively capturing task-relevant variations. Across a series of downstream tasks and real-world experiments, such as object insertion, imitation learning, and object weighting, the augmented datasets using our approach consistently improve performance and demonstrate practical utility in dynamic real-world settings. Project page: https://dongyuluo.github.io/controltac.

In this era, the success of large language models and text-to-image models can be attributed to the driving force of large-scale datasets. However, in the realm of 3D vision, while remarkable progress has been made with models trained on large-scale synthetic and real-captured object data like Objaverse and MVImgNet, a similar level of progress has not been observed in the domain of human-centric tasks partially due to the lack of a large-scale human dataset. Existing datasets of high-fidelity 3D human capture continue to be mid-sized due to the significant challenges in acquiring large-scale high-quality 3D human data. To bridge this gap, we present MVHumanNet, a dataset that comprises multi-view human action sequences of 4,500 human identities. The primary focus of our work is on collecting human data that features a large number of diverse identities and everyday clothing using a multi-view human capture system, which facilitates easily scalable data collection. Our dataset contains 9,000 daily outfits, 60,000 motion sequences and 645 million frames with extensive annotations, including human masks, camera parameters, 2D and 3D keypoints, SMPL/SMPLX parameters, and corresponding textual descriptions. To explore the potential of MVHumanNet in various 2D and 3D visual tasks, we conducted pilot studies on view-consistent action recognition, human NeRF reconstruction, text-driven view-unconstrained human image generation, as well as 2D view-unconstrained human image and 3D avatar generation. Extensive experiments demonstrate the performance improvements and effective applications enabled by the scale provided by MVHumanNet. As the current largest-scale 3D human dataset, we hope that the release of MVHumanNet data with annotations will foster further innovations in the domain of 3D human-centric tasks at scale.

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.

In this era, the success of large language models and text-to-image models can be attributed to the driving force of large-scale datasets. However, in the realm of 3D vision, while significant progress has been achieved in object-centric tasks through large-scale datasets like Objaverse and MVImgNet, human-centric tasks have seen limited advancement, largely due to the absence of a comparable large-scale human dataset. To bridge this gap, we present MVHumanNet++, a dataset that comprises multi-view human action sequences of 4,500 human identities. The primary focus of our work is on collecting human data that features a large number of diverse identities and everyday clothing using multi-view human capture systems, which facilitates easily scalable data collection. Our dataset contains 9,000 daily outfits, 60,000 motion sequences and 645 million frames with extensive annotations, including human masks, camera parameters, 2D and 3D keypoints, SMPL/SMPLX parameters, and corresponding textual descriptions. Additionally, the proposed MVHumanNet++ dataset is enhanced with newly processed normal maps and depth maps, significantly expanding its applicability and utility for advanced human-centric research. To explore the potential of our proposed MVHumanNet++ dataset in various 2D and 3D visual tasks, we conducted several pilot studies to demonstrate the performance improvements and effective applications enabled by the scale provided by MVHumanNet++. As the current largest-scale 3D human dataset, we hope that the release of MVHumanNet++ dataset with annotations will foster further innovations in the domain of 3D human-centric tasks at scale. MVHumanNet++ is publicly available at https://kevinlee09.github.io/research/MVHumanNet++/.

Creating a single unified interatomic potential capable of attaining ab initio accuracy across all chemistry remains a long-standing challenge in computational chemistry and materials science. This work introduces a training protocol for foundation machine-learning interatomic potentials (MLIPs) that bridge molecular, surface, and materials chemistry through cross-domain learning. First, we introduce enhancements to the MACE architecture that improve its performance on chemically diverse databases by increasing weight sharing across chemical elements and introducing non-linear factors into the tensor decomposition of the product basis. Second, we develop a multi-head replay post-training methodology that enables efficient knowledge transfer across diverse chemical domains. By fine-tuning on datasets at different levels of electronic structure theory, including inorganic crystals, molecular systems, surface chemistry, and reactive organic chemistry, we demonstrate that a single unified model achieves state-of-the-art performance across several chemical domains. Comprehensive benchmarking reveals superior cross-domain transferability compared with existing specialised and multi-task models, with notable improvements in molecular and surface properties while maintaining state-of-the-art performance in materials-property prediction.

The development of machine learning models for electrocatalysts requires a broad set of training data to enable their use across a wide variety of materials. One class of materials that currently lacks sufficient training data is oxides, which are critical for the development of OER catalysts. To address this, we developed the OC22 dataset, consisting of 62,331 DFT relaxations (~9,854,504 single point calculations) across a range of oxide materials, coverages, and adsorbates. We define generalized total energy tasks that enable property prediction beyond adsorption energies; we test baseline performance of several graph neural networks; and we provide pre-defined dataset splits to establish clear benchmarks for future efforts. In the most general task, GemNet-OC sees a ~36% improvement in energy predictions when combining the chemically dissimilar OC20 and OC22 datasets via fine-tuning. Similarly, we achieved a ~19% improvement in total energy predictions on OC20 and a ~9% improvement in force predictions in OC22 when using joint training. We demonstrate the practical utility of a top performing model by capturing literature adsorption energies and important OER scaling relationships. We expect OC22 to provide an important benchmark for models seeking to incorporate intricate long-range electrostatic and magnetic interactions in oxide surfaces. Dataset and baseline models are open sourced, and a public leaderboard is available to encourage continued community developments on the total energy tasks and data.

Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven exploration and design of amorphous materials is hampered by the absence of a comprehensive database covering a broad chemical space. In this work, we present the largest computed amorphous materials database to date, generated from systematic and accurate ab initio molecular dynamics (AIMD) calculations. We also show how the database can be used in simple machine-learning models to connect properties to composition and structure, here specifically targeting ionic conductivity. These models predict the Li-ion diffusivity with speed and accuracy, offering a cost-effective alternative to expensive density functional theory (DFT) calculations. Furthermore, the process of computational quenching amorphous materials provides a unique sampling of out-of-equilibrium structures, energies, and force landscape, and we anticipate that the corresponding trajectories will inform future work in universal machine learning potentials, impacting design beyond that of non-crystalline materials.

Accurate estimation of clinically meaningful gait parameters from monocular video is important for scalable mobility assessment, yet progress is limited by the small scale, restricted viewpoints, and limited visual diversity of existing datasets. We introduce SynthGait-19k, a physically grounded synthetic video dataset containing 19,272 walking videos derived from 6,427 MoCap sequences across 437 subjects, with paired SMPL motion and annotations for six gait parameters. To construct the dataset, we develop Gait2Vid, which unifies heterogeneous MoCap recordings through SMPL and synthesizes diverse RGB walking videos under controllable viewpoints and scene appearances. We assess the generated videos for consistency with their conditioning gait kinematics and validate extracted gait events against force-platform measurements. Using SynthGait-19K, we benchmark direct RGB, pose-based, biomechanical, and human-mesh-recovery approaches and analyze viewpoint, training-data scale, and synthetic-to-real domain shift. We also introduce GaitXFormer as a direct RGB reference model for estimating gait parameters. Synthetic supervision transfers effectively to real videos across both GaitXFormer and a pose-based architecture, demonstrating utility across different representations. We further find that spatial gait parameters are more sensitive to visual domain shift and that improved HMR reconstruction alone does not necessarily translate to improved downstream gait estimation.

Complex reasoning is an impressive ability shown by large language models (LLMs). Most LLMs are skilled in deductive reasoning, such as chain-of-thought prompting or iterative tool-using to solve challenging tasks step-by-step. In this paper, we hope to focus on evaluating and teaching LLMs to conduct inductive reasoning, that is, LLMs are supposed to infer underlying rules by observing examples or sequential transformations. However, collecting large-scale and diverse human-generated inductive data is challenging. We focus on data synthesis in the code domain and propose a Case2Code task by exploiting the expressiveness and correctness of programs. Specifically, we collect a diverse set of executable programs, synthesize input-output transformations for each program, and force LLMs to infer the underlying code implementations based on the synthetic I/O cases. We first evaluate representative LLMs on the synthesized Case2Code task and demonstrate that the Case-to-code induction is challenging for LLMs. Then, we synthesize large-scale Case2Code training samples to train LLMs to perform inductive reasoning. Experimental results show that such induction training benefits not only in distribution Case2Code performance but also enhances various coding abilities of trained LLMs, demonstrating the great potential of learning inductive reasoning via synthetic data.

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.

Machine Learning Force Fields (MLFFs) are a promising alternative to expensive ab initio quantum mechanical molecular simulations. Given the diversity of chemical spaces that are of interest and the cost of generating new data, it is important to understand how MLFFs generalize beyond their training distributions. In order to characterize and better understand distribution shifts in MLFFs, we conduct diagnostic experiments on chemical datasets, revealing common shifts that pose significant challenges, even for large foundation models trained on extensive data. Based on these observations, we hypothesize that current supervised training methods inadequately regularize MLFFs, resulting in overfitting and learning poor representations of out-of-distribution systems. We then propose two new methods as initial steps for mitigating distribution shifts for MLFFs. Our methods focus on test-time refinement strategies that incur minimal computational cost and do not use expensive ab initio reference labels. The first strategy, based on spectral graph theory, modifies the edges of test graphs to align with graph structures seen during training. Our second strategy improves representations for out-of-distribution systems at test-time by taking gradient steps using an auxiliary objective, such as a cheap physical prior. Our test-time refinement strategies significantly reduce errors on out-of-distribution systems, suggesting that MLFFs are capable of and can move towards modeling diverse chemical spaces, but are not being effectively trained to do so. Our experiments establish clear benchmarks for evaluating the generalization capabilities of the next generation of MLFFs. Our code is available at https://tkreiman.github.io/projects/mlff_distribution_shifts/.

Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability required for first-principles predictive modeling. In this paper, we introduce MACE-OFF, a series of short range transferable force fields for organic molecules created using state-of-the-art machine learning technology and first-principles reference data computed with a high level of quantum mechanical theory. MACE-OFF demonstrates the remarkable capabilities of short range models by accurately predicting a wide variety of gas and condensed phase properties of molecular systems. It produces accurate, easy-to-converge dihedral torsion scans of unseen molecules, as well as reliable descriptions of molecular crystals and liquids, including quantum nuclear effects. We further demonstrate the capabilities of MACE-OFF by determining free energy surfaces in explicit solvent, as well as the folding dynamics of peptides.Finally, we simulate a fully solvated small protein, observing accurate secondary structure and vibrational spectrum. These developments enable first-principles simulations of molecular systems for the broader chemistry community at high accuracy and relatively low computational cost.

Large Language Models (LLMs) have shown to be a great success in a wide range of applications ranging from regular NLP-based use cases to AI agents. LLMs have been trained on a vast corpus of texts from various sources; despite the best efforts during the data pre-processing stage while training the LLMs, they may pick some undesirable information such as personally identifiable information (PII). Consequently, in recent times research in the area of Machine Unlearning (MUL) has become active, the main idea is to force LLMs to forget (unlearn) certain information (e.g., PII) without suffering from performance loss on regular tasks. In this work, we examine the robustness of the existing MUL techniques for their ability to enable leakage-proof forgetting in LLMs. In particular, we examine the effect of data transformation on forgetting, i.e., is an unlearned LLM able to recall forgotten information if there is a change in the format of the input? Our findings on the TOFU dataset highlight the necessity of using diverse data formats to quantify unlearning in LLMs more reliably.

Contact-rich manipulation depends on applying the correct grasp forces throughout the manipulation task, especially when handling fragile or deformable objects. Most existing imitation learning approaches often treat visuotactile feedback only as an additional observation, leaving applied forces as an uncontrolled consequence of gripper commands. In this work, we present Force-Aware Robotic Manipulation (FARM), an imitation learning framework that integrates high-dimensional tactile data to infer tactile-conditioned force signals, which in turn define a matching force-based action space. We collect human demonstrations using a modified version of the handheld Universal Manipulation Interface (UMI) gripper that integrates a GelSight Mini visual tactile sensor. For deploying the learned policies, we developed an actuated variant of the UMI gripper with geometry matching our handheld version. During policy rollouts, the proposed FARM diffusion policy jointly predicts robot pose, grip width, and grip force. FARM outperforms several baselines across three tasks with distinct force requirements -- high-force, low-force, and dynamic force adaptation -- demonstrating the advantages of its two key components: leveraging force-grounded, high-dimensional tactile observations and a force-based control space. The codebase and design files are open-sourced and available at https://tactile-farm.github.io .

Recent work has shown the immense potential of synthetically generated datasets for training large language models (LLMs), especially for acquiring targeted skills. Current large-scale math instruction tuning datasets such as MetaMathQA (Yu et al., 2024) and MAmmoTH (Yue et al., 2024) are constructed using outputs from closed-source LLMs with commercially restrictive licenses. A key reason limiting the use of open-source LLMs in these data generation pipelines has been the wide gap between the mathematical skills of the best closed-source LLMs, such as GPT-4, and the best open-source LLMs. Building on the recent progress in open-source LLMs, our proposed prompting novelty, and some brute-force scaling, we construct OpenMathInstruct-1, a math instruction tuning dataset with 1.8M problem-solution pairs. The dataset is constructed by synthesizing code-interpreter solutions for GSM8K and MATH, two popular math reasoning benchmarks, using the recently released and permissively licensed Mixtral model. Our best model, OpenMath-CodeLlama-70B, trained on a subset of OpenMathInstruct-1, achieves a score of 84.6% on GSM8K and 50.7% on MATH, which is competitive with the best gpt-distilled models. We release our code, models, and the OpenMathInstruct-1 dataset under a commercially permissive license.

Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale nature poses significant modeling challenges. Conventional force fields often lack the accuracy and transferability required to capture the intricate interactions governing polymer behavior. Conversely, quantum-chemical methods are computationally prohibitive for the large systems and long timescales required to simulate relevant polymer phenomena. Here, we overcome these limitations with a machine learning force field (MLFF) approach. We demonstrate that macroscopic properties for a broad range of polymers can be predicted ab initio, without fitting to experimental data. Specifically, we develop a fast and scalable MLFF to accurately predict polymer densities, outperforming established classical force fields. Our MLFF also captures second-order phase transitions, enabling the prediction of glass transition temperatures. To accelerate progress in this domain, we introduce a benchmark of experimental bulk properties for 130 polymers and an accompanying quantum-chemical dataset. This work lays the foundation for a fully in silico design pipeline for next-generation polymeric materials.

Molecular dynamics (MD) simulations are essential tools for unraveling atomistic insights into the structure and dynamics of condensed-phase systems. However, the universal and accurate prediction of macroscopic properties from ab initio calculations remains a significant challenge, often hindered by the trade-off between computational cost and simulation accuracy. Here, we present ByteFF-Pol, a graph neural network (GNN)-parameterized polarizable force field, trained exclusively on high-level quantum mechanics (QM) data. Leveraging physically-motivated force field forms and training strategies, ByteFF-Pol exhibits exceptional performance in predicting thermodynamic and transport properties for a wide range of small-molecule liquids and electrolytes, outperforming state-of-the-art (SOTA) classical and machine learning force fields. The zero-shot prediction capability of ByteFF-Pol bridges the gap between microscopic QM calculations and macroscopic liquid properties, enabling the exploration of previously intractable chemical spaces. This advancement holds transformative potential for applications such as electrolyte design and custom-tailored solvent, representing a pivotal step toward data-driven materials discovery.

Vision-Language Models (VLMs) acquire real-world knowledge and general reasoning ability through Internet-scale image-text corpora. They can augment robotic systems with scene understanding and task planning, and assist visuomotor policies that are trained on robot trajectory data. We explore the reverse paradigm - using rich, real, multi-modal robot trajectory data to enhance and evaluate VLMs. In this paper, we present Robo2VLM, a Visual Question Answering (VQA) dataset generation framework for VLMs. Given a human tele-operated robot trajectory, Robo2VLM derives ground-truth from non-visual and non-descriptive sensory modalities, such as end-effector pose, gripper aperture, and force sensing. Based on these modalities, it segments the robot trajectory into a sequence of manipulation phases. At each phase, Robo2VLM uses scene and interaction understanding to identify 3D properties of the robot, task goal, and the target object. The properties are used to generate representative VQA queries - images with textural multiple-choice questions - based on spatial, goal-conditioned, and interaction reasoning question templates. We curate Robo2VLM-1, a large-scale in-the-wild dataset with 684,710 questions covering 463 distinct scenes and 3,396 robotic manipulation tasks from 176k real robot trajectories. Results suggest that Robo2VLM-1 can benchmark and improve VLM capabilities in spatial and interaction reasoning.

This work presents a probabilistic digital twin framework for response prediction in dynamical systems governed by misspecified physics. The approach integrates Gaussian Process Latent Force Models (GPLFM) and Bayesian Neural Networks (BNNs) to enable end-to-end uncertainty-aware inference and prediction. In the diagnosis phase, model-form errors (MFEs) are treated as latent input forces to a nominal linear dynamical system and jointly estimated with system states using GPLFM from sensor measurements. A BNN is then trained on posterior samples to learn a probabilistic nonlinear mapping from system states to MFEs, while capturing diagnostic uncertainty. For prognosis, this mapping is used to generate pseudo-measurements, enabling state prediction via Kalman filtering. The framework allows for systematic propagation of uncertainty from diagnosis to prediction, a key capability for trustworthy digital twins. The framework is demonstrated using four nonlinear examples: a single degree of freedom (DOF) oscillator, a multi-DOF system, and two established benchmarks -- the Bouc-Wen hysteretic system and the Silverbox experimental dataset -- highlighting its predictive accuracy and robustness to model misspecification.

Novel neural architectures, training strategies, and the availability of large-scale corpora haven been the driving force behind recent progress in abstractive text summarization. However, due to the black-box nature of neural models, uninformative evaluation metrics, and scarce tooling for model and data analysis, the true performance and failure modes of summarization models remain largely unknown. To address this limitation, we introduce SummVis, an open-source tool for visualizing abstractive summaries that enables fine-grained analysis of the models, data, and evaluation metrics associated with text summarization. Through its lexical and semantic visualizations, the tools offers an easy entry point for in-depth model prediction exploration across important dimensions such as factual consistency or abstractiveness. The tool together with several pre-computed model outputs is available at https://github.com/robustness-gym/summvis.

Robust generalization is a major challenge in deep learning, particularly when the number of trainable parameters is very large. In general, it is very difficult to know if the network has memorized a particular set of examples or understood the underlying rule (or both). Motivated by this challenge, we study an interpretable model where generalizing representations are understood analytically, and are easily distinguishable from the memorizing ones. Namely, we consider multi-layer perceptron (MLP) and Transformer architectures trained on modular arithmetic tasks, where (xi cdot 100%) of labels are corrupted (i.e. some results of the modular operations in the training set are incorrect). We show that (i) it is possible for the network to memorize the corrupted labels and achieve 100% generalization at the same time; (ii) the memorizing neurons can be identified and pruned, lowering the accuracy on corrupted data and improving the accuracy on uncorrupted data; (iii) regularization methods such as weight decay, dropout and BatchNorm force the network to ignore the corrupted data during optimization, and achieve 100% accuracy on the uncorrupted dataset; and (iv) the effect of these regularization methods is (``mechanistically'') interpretable: weight decay and dropout force all the neurons to learn generalizing representations, while BatchNorm de-amplifies the output of memorizing neurons and amplifies the output of the generalizing ones. Finally, we show that in the presence of regularization, the training dynamics involves two consecutive stages: first, the network undergoes grokking dynamics reaching high train and test accuracy; second, it unlearns the memorizing representations, where the train accuracy suddenly jumps from 100% to 100 (1-xi)%.

Data-residency constraints force enterprises to self-host LLMs, but continuous adoption of newer models without decommissioning their predecessors expands the serving fleet, fragmenting a finite GPU pool. We consolidate traffic from over 200 internal applications onto a single model by closing quality gaps identified through production error analysis along three axes: instruction following, function-calling, and internal task distribution. Quality is tracked by offline benchmarks stratified to production traffic and scored by deterministic verifiers or calibrated LLM judges. Rather than optimising all objectives jointly, which introduces cross-domain reward interference, we train a separate GRPO expert per axis and merge them via two-stage SLERP. Each expert's reward exposes a distinct failure mode, namely semantic collapse, over-calling, and verbosity hacking, each requiring a domain-specific fix. In non-reasoning mode the recipe surpasses a {sim}7times larger by total parameters baseline on the in-house Arena with 69.6 to 65.8, instruction following with 0.85 to 0.83, and function-calling with 0.79 to 0.77, while lifting general dialogue benchmarks. The model absorbs 50% of platform traffic, 116M requests per month, at a fraction of the serving cost.

We introduce the FCHL19 representation for atomic environments in molecules or condensed-phase systems. Machine learning models based on FCHL19 are able to yield predictions of atomic forces and energies of query compounds with chemical accuracy on the scale of milliseconds. FCHL19 is a revision of our previous work [Faber et al. 2018] where the representation is discretized and the individual features are rigorously optimized using Monte Carlo optimization. Combined with a Gaussian kernel function that incorporates elemental screening, chemical accuracy is reached for energy learning on the QM7b and QM9 datasets after training for minutes and hours, respectively. The model also shows good performance for non-bonded interactions in the condensed phase for a set of water clusters with an MAE binding energy error of less than 0.1 kcal/mol/molecule after training on 3,200 samples. For force learning on the MD17 dataset, our optimized model similarly displays state-of-the-art accuracy with a regressor based on Gaussian process regression. When the revised FCHL19 representation is combined with the operator quantum machine learning regressor, forces and energies can be predicted in only a few milliseconds per atom. The model presented herein is fast and lightweight enough for use in general chemistry problems as well as molecular dynamics simulations.

Purpose. Handwriting is one of the most frequently occurring patterns in everyday life and with it come challenging applications such as handwriting recognition (HWR), writer identification, and signature verification. In contrast to offline HWR that only uses spatial information (i.e., images), online HWR (OnHWR) uses richer spatio-temporal information (i.e., trajectory data or inertial data). While there exist many offline HWR datasets, there is only little data available for the development of OnHWR methods on paper as it requires hardware-integrated pens. Methods. This paper presents data and benchmark models for real-time sequence-to-sequence (seq2seq) learning and single character-based recognition. Our data is recorded by a sensor-enhanced ballpoint pen, yielding sensor data streams from triaxial accelerometers, a gyroscope, a magnetometer and a force sensor at 100 Hz. We propose a variety of datasets including equations and words for both the writer-dependent and writer-independent tasks. Our datasets allow a comparison between classical OnHWR on tablets and on paper with sensor-enhanced pens. We provide an evaluation benchmark for seq2seq and single character-based HWR using recurrent and temporal convolutional networks and Transformers combined with a connectionist temporal classification (CTC) loss and cross-entropy (CE) losses. Results. Our convolutional network combined with BiLSTMs outperforms Transformer-based architectures, is on par with InceptionTime for sequence-based classification tasks, and yields better results compared to 28 state-of-the-art techniques. Time-series augmentation methods improve the sequence-based task, and we show that CE variants can improve the single classification task.

Automated negotiations in insurance and business-to-business (B2B) commerce encounter substantial challenges. Current systems force a trade-off between convenience and privacy by routing sensitive financial data through centralized servers, increasing security risks, and diminishing user trust. This study introduces a device-native autonomous Agentic AI system for privacy-preserving negotiations. The proposed system operates exclusively on user hardware, enabling real-time bargaining while maintaining sensitive constraints locally. It integrates zero-knowledge proofs to ensure privacy and employs distilled world models to support advanced on-device reasoning. The architecture incorporates six technical components within an Agentic AI workflow. Agents autonomously plan negotiation strategies, conduct secure multi-party bargaining, and generate cryptographic audit trails without exposing user data to external servers. The system is evaluated in insurance and B2B procurement scenarios across diverse device configurations. Results show an average success rate of 87 %, a 2.4x reduction in latency relative to cloud baselines, and strong privacy preservation through zero-knowledge proofs. User studies show 27 % higher trust scores when decision trails are available. These findings establish a foundation for trustworthy autonomous agents in privacy-sensitive financial domains.

As large language models advance in reasoning and tool use capabilities, researchers increasingly seek to leverage them for computer use agents that can interact with existing software. The dominant approach develops GUI agents that control applications through visual interfaces: interpreting screenshots, locating UI elements, and executing mouse clicks to mimic human interaction. This GUI-centric paradigm fundamentally misaligns with agent capabilities. Current GUI agents struggle with brittle pixel-level interactions, timing dependencies, and coordinate-based actions that break with interface changes. They force agents to emulate human perceptual limitations rather than leverage their computational strengths in structured data processing and programmatic control. CLI-Anything argues for agent-native computer use design. Instead of forcing agents to navigate visual layouts, we create interfaces aligned with how agents naturally operate: through structured commands, explicit state representations, and deterministic feedback. We transform existing applications into command-line harnesses that preserve functionality while exposing machine-readable protocols optimized for AI-native interaction. This eliminates the lossy visual-to-computational translation that plagues GUI agents. Rather than building sophisticated screen readers and click simulators, we should redesign interaction paradigms around agent strengths: precise programmatic control and deterministic execution. We examine the methodology, architecture, evidence, and future directions for this agent-native transformation of computer use. We have built CLI-Hub as a comprehensive platform that operationalizes this agent-native computer use vision. The platform provides methodology, architecture, and infrastructure for this fundamental transformation of computer use.

We present a new regular grid search algorithm for quick fixed-radius nearest-neighbor lookup developed in Python. This module indexes a set of k-dimensional points in a regular grid, with optional periodic conditions, providing a fast approach for nearest neighbors queries. In this first installment we provide three types of queries: bubble, shell and the nth-nearest; as well as three different metrics of interest in astronomy: the euclidean and two distance functions in spherical coordinates of varying precision, haversine and Vincenty; and the possibility of providing a custom distance function. This package results particularly useful for large datasets where a brute-force search turns impractical.

Multimodal agents offer a promising path to automating complex document-intensive workflows. Yet, a critical question remains: do these agents demonstrate genuine strategic reasoning, or merely stochastic trial-and-error search? To address this, we introduce MADQA, a benchmark of 2,250 human-authored questions grounded in 800 heterogeneous PDF documents. Guided by Classical Test Theory, we design it to maximize discriminative power across varying levels of agentic abilities. To evaluate agentic behaviour, we introduce a novel evaluation protocol measuring the accuracy-effort trade-off. Using this framework, we show that while the best agents can match human searchers in raw accuracy, they succeed on largely different questions and rely on brute-force search to compensate for weak strategic planning. They fail to close the nearly 20% gap to oracle performance, persisting in unproductive loops. We release the dataset and evaluation harness to help facilitate the transition from brute-force retrieval to calibrated, efficient reasoning.

Cellular form and function emerge from complex mechanochemical systems within the cytoplasm. No systematic strategy currently exists to infer large-scale physical properties of a cell from its many molecular components. This is a significant obstacle to understanding biophysical processes such as cell adhesion and migration. Here, we develop a data-driven biophysical modeling approach to learn the mechanical behavior of adherent cells. We first train neural networks to predict forces generated by adherent cells from images of cytoskeletal proteins. Strikingly, experimental images of a single focal adhesion protein, such as zyxin, are sufficient to predict forces and generalize to unseen biological regimes. This protein field alone contains enough information to yield accurate predictions even if forces themselves are generated by many interacting proteins. We next develop two approaches - one explicitly constrained by physics, the other more agnostic - that help construct data-driven continuum models of cellular forces using this single focal adhesion field. Both strategies consistently reveal that cellular forces are encoded by two different length scales in adhesion protein distributions. Beyond adherent cell mechanics, our work serves as a case study for how to integrate neural networks in the construction of predictive phenomenological models in cell biology, even when little knowledge of the underlying microscopic mechanisms exist.

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.

The increasing use of two-dimensional (2D) materials in nanoelectronics demands robust metrology techniques for electrical characterization, especially for large-scale production. While atomic force microscopy (AFM) techniques like conductive AFM (C-AFM) offer high accuracy, they suffer from slow data acquisition speeds due to the raster scanning process. To address this, we introduce SparseC-AFM, a deep learning model that rapidly and accurately reconstructs conductivity maps of 2D materials like MoS_2 from sparse C-AFM scans. Our approach is robust across various scanning modes, substrates, and experimental conditions. We report a comparison between (a) classic flow implementation, where a high pixel density C-AFM image (e.g., 15 minutes to collect) is manually parsed to extract relevant material parameters, and (b) our SparseC-AFM method, which achieves the same operation using data that requires substantially less acquisition time (e.g., under 5 minutes). SparseC-AFM enables efficient extraction of critical material parameters in MoS_2, including film coverage, defect density, and identification of crystalline island boundaries, edges, and cracks. We achieve over 11x reduction in acquisition time compared to manual extraction from a full-resolution C-AFM image. Moreover, we demonstrate that our model-predicted samples exhibit remarkably similar electrical properties to full-resolution data gathered using classic-flow scanning. This work represents a significant step toward translating AI-assisted 2D material characterization from laboratory research to industrial fabrication. Code and model weights are available at github.com/UNITES-Lab/sparse-cafm.

We introduce a neural network (NN) strictly governed by Newton's Law, with the nature required basis functions derived from the fundamental classic mechanics. Then, by classifying the training model as a quick procedure of 'force pattern' recognition, we developed the Newton physics-based NS scheme. Once the force pattern is confirmed, the neuro network simply does the checking of the 'pattern stability' instead of the continuous fitting by computational resource consuming big data-driven processing. In the given physics's law system, once the field is confirmed, the mathematics bases for the force field description actually are not diverged but denumerable, which can save the function representations from the exhaustible available mathematics bases. In this work, we endorsed Newton's Law into the deep learning technology and proposed Newton Scheme (NS). Under NS, the user first identifies the path pattern, like the constant acceleration movement.The object recognition technology first loads mass information, then, the NS finds the matched physical pattern and describe and predict the trajectory of the movements with nearly zero error. We compare the major contribution of this NS with the TCN, GRU and other physics inspired 'FIND-PDE' methods to demonstrate fundamental and extended applications of how the NS works for the free-falling, pendulum and curve soccer balls.The NS methodology provides more opportunity for the future deep learning advances.

Despite the unprecedented volume of multimodal data provided by modern Earth observation systems, our ability to model atmospheric dynamics remains constrained. Traditional modeling frameworks force heterogeneous measurements into predefined spatial grids, inherently limiting the full exploitation of raw sensor data and creating severe computational bottlenecks. Here we present Earth-o1, an observation-native atmospheric world model that overcomes these structural limitations. Rather than relying on conventional atmospheric dynamical modeling systems or traditional data assimilation, Earth-o1 directly learns the continuous, three-dimensional physical evolution of the Earth system from ungridded observational data. By integrating diverse sensor inputs into a unified, grid-free dynamical field, the model autonomously advances the atmospheric state in space and time. We show that this fundamentally distinct paradigm enables direct, real-time forecasting and cross-sensor inference without the overhead of explicit numerical solvers. In hindcast evaluations, Earth-o1 achieves surface forecast skill comparable to the operational Integrated Forecasting System (IFS). These results establish that continuous, observation-driven world models -- a new class of fully observation-native geophysical simulators -- can match the fidelity of established physical frameworks, providing a scalable data-driven foundation for a digital twin of the Earth.

Many manipulation tasks require careful force modulation. With insufficient force the task may fail, while excessive force could cause damage. The high cost, bulky size and fragility of commercial force/torque (F/T) sensors have limited large-scale, force-aware policy learning. We introduce UMI-FT, a handheld data-collection platform that mounts compact, six-axis force/torque sensors on each finger, enabling finger-level wrench measurements alongside RGB, depth, and pose. Using the multimodal data collected from this device, we train an adaptive compliance policy that predicts position targets, grasp force, and stiffness for execution on standard compliance controllers. In evaluations on three contact-rich, force-sensitive tasks (whiteboard wiping, skewering zucchini, and lightbulb insertion), UMI-FT enables policies that reliably regulate external contact forces and internal grasp forces, outperforming baselines that lack compliance or force sensing. UMI-FT offers a scalable path to learning compliant manipulation from in-the-wild demonstrations. We open-source the hardware and software to facilitate broader adoption at:https://umi-ft.github.io/.

Tactile sensing is an essential modality for robots performing contact-rich, dexterous manipulation, particularly under visual occlusion. While pre-trained image encoders are standard in robot learning pipelines, tactile encoders are still commonly trained from scratch from raw, noisy signals, which might limit their expressivity. Existing self-supervised learning (SSL) approaches focus predominantly on vision-based tactile sensors, leaving distributed electronic skins largely unaddressed. These sensors, however, have a distinctive property: their sensing elements are sparse and irregularly arranged over the surface they cover, which makes direct reuse of visual SSL methods suboptimal. We present Tactile-JEPA, an efficient self-supervised pre-training method that uses the spatial arrangement of tactile sensors to learn topology-aware representations. Specifically, it is trained to predict the embeddings of masked sensing elements from the unmasked remainder, using the sensor connectivity graph to guide spatial masking. Our analysis shows that effective tactile representations require capturing both local contact details and the global state of the tactile surface, which we achieve through dual-scale masking. Across three diverse datasets spanning magnetic and piezoresistive sensors, different robot embodiments, and single- and paired-sensor configurations, Tactile-JEPA reduces force estimation error by 6.3% and in-hand orientation error by 20.8% over the prior state-of-the-art, with consistent gains in other downstream applications, including policy learning. Overall, our results demonstrate that the benefit of tactile sensing depends critically on the quality of encoder pre-training, a problem which Tactile-JEPA addresses directly. Code is available at https://github.com/E-Kovtun/tactile.

Machine-learned coarse-grained (CG) models often suffer from noisy training data, limiting their accuracy and transferability. We propose a method to generate low-noise training data based on the potential of mean force by constraining CG beads during atomistic simulations and accumulating time-averaged forces. Implemented within the neuroevolution potential (NEP) framework, our approach achieves training accuracy comparable to atomistic models trained on density functional theory data. For liquid water, the NEP-CG model accurately reproduces densities from 1 bar to 1 GPa, successfully extrapolating beyond the 0.5 GPa training limit, with a virial correction essential for the correct equation of state. For an anisotropic C_{60} monolayer, distinguishing crystallographically distinct bead types reduces stress errors by an order of magnitude and captures directional thermal conductivity. We further introduce a multiscale NEP-AACG model integrating all-atom (AA) and CG degrees of freedom, demonstrated for gold nanowire fracture at an experimentally relevant strain rate. Computational speeds for NEP-CG models reach hundreds to thousands of ns/day using a single consumer-grade GPU. This work provides a robust framework for constructing accurate, transferable, and efficient CG models across diverse systems.

In the realm of multi-objective alignment for large language models, balancing disparate human preferences often manifests as a zero-sum conflict. Specifically, the intrinsic tension between competing goals dictates that aggressively optimizing for one metric (e.g., helpfulness) frequently incurs a substantial penalty on another (e.g., harmlessness). While prior work mainly focuses on data selection, parameter merging, or algorithmic balancing during training, these approaches merely force compromises between divergent preferences along a fixed Pareto frontier, failing to fundamentally resolve the inherent trade-off. In this work, we approach this problem from a novel perspective of multi-dimensional rewards. By scaling up the model's rollouts and analyzing the outputs across different reward dimensions, we arrive at a critical conclusion: the conflict among multiple objectives stems from the fact that the prompt itself inherently restricts the achievable multi-dimensional rewards. Based on this core observation, we propose MORA: Multi-Objective Reward Assimilation. Specifically, MORA isolates single-reward prompts through pre-sampling and expands their reward diversity by rewriting the original questions to incorporate multi-dimensional intents. Extensive experiments demonstrate that: (1) in sequential alignment, MORA achieves single-preference improvements ranging from 5% to 12.4%, with exceptional gains in harmlessness, after multiple-preference alignment across helpful, harmless, and truthful dimensions. (2) In simultaneous alignment, MORA achieves an average overall reward improvement of 4.6%. Our codes are available at https://github.com/Shiying-Huang/MORA-MPA.

High-pressure crystal structure prediction (CSP) underpins advances in condensed matter physics, planetary science, and materials discovery. Yet, most large atomistic models are trained on near-ambient, equilibrium data, leading to degraded stress accuracy at tens to hundreds of gigapascals and sparse coverage of pressure-stabilized stoichiometries and dense coordination motifs. Here, we introduce OpenCSP, a machine learning framework for CSP tasks spanning ambient to high-pressure conditions. This framework comprises an open-source pressure-resolved dataset alongside a suite of publicly available atomistic models that are jointly optimized for accuracy in energy, force, and stress predictions. The dataset is constructed via randomized high-pressure sampling and iteratively refined through an uncertainty-guided concurrent learning strategy, which enriches underrepresented compression regimes while suppressing redundant DFT labeling. Despite employing a training corpus one to two orders of magnitude smaller than those of leading large models, OpenCSP achieves comparable or superior performance in high-pressure enthalpy ranking and stability prediction. Across benchmark CSP tasks spanning a wide pressure window, our models match or surpass MACE-MPA-0, MatterSim v1 5M, and GRACE-2L-OAM, with the largest gains observed at elevated pressures. These results demonstrate that targeted, pressure-aware data acquisition coupled with scalable architectures enables data-efficient, high-fidelity CSP, paving the way for autonomous materials discovery under ambient and extreme conditions.

Body dynamics are crucial information for the analysis of human motions in important research fields, ranging from biomechanics, sports science to computer vision and graphics. Modern approaches collect the body dynamics, external reactive force specifically, via force plates, synchronizing with human motion capture data, and learn to estimate the dynamics from a black-box deep learning model. Being specialized devices, force plates can only be installed in laboratory setups, imposing a significant limitation on the learning of human dynamics. To this end, we propose a novel method for estimating human ground reaction dynamics directly from the more reliable motion capture data with physics laws and computational simulation as constrains. We introduce a highly accurate and robust method for computing ground reaction forces from motion capture data using Euler's integration scheme and PD algorithm. The physics-based reactive forces are used to inform the learning model about the physics-informed motion dynamics thus improving the estimation accuracy. The proposed approach was tested on the GroundLink dataset, outperforming the baseline model on: 1) the ground reaction force estimation accuracy compared to the force plates measurement; and 2) our simulated root trajectory precision. The implementation code is available at https://github.com/cuongle1206/Phys-GRD

Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly describe bond breaking and making energetics. Commonly used approaches such as Density Functional Theory (DFT) frequently fail for this task due to deficiencies that are well recognized. However, for high-fidelity approaches, creating large datasets of energies and forces for reactive processes to train machine learning interatomic potentials or force fields is daunting. For example, the use of the unrestricted coupled cluster level of theory has previously been seen as unfeasible due to high computational costs, the lack of analytical gradients in many computational codes, and additional challenges such as constructing suitable basis set corrections for forces. In this work, we develop new methods and workflows to overcome the challenges inherent to automating unrestricted coupled cluster calculations. Using these advancements, we create a dataset of gas-phase reactions containing energies and forces for 3119 different organic molecules configurations calculated at the gold-standard level of unrestricted CCSD(T) (coupled cluster singles doubles and perturbative triples). With this dataset, we provide an analysis of the differences between the density functional and unrestricted CCSD(T) descriptions. We develop a transferable machine learning interatomic potential for gas-phase reactions, trained on unrestricted CCSD(T) data, and demonstrate the advantages of transitioning away from DFT data. Transitioning from training to DFT to training to UCCSD(T) datasets yields an improvement of more than 0.1 eV/Å in force accuracy and over 0.1 eV in activation energy reproduction.

Foundation models have emerged as a driving force in computational pathology, with the potential to transform cancer diagnosis, prognosis, and treatment selection by learning transferable representations from large-scale histopathology data. A growing landscape of pathology foundation models now spans diverse data sources, architectures, and downstream applications. However, most pretrained models operate only at the image-tile level, use restrictive licenses, and remain computationally expensive, limiting large-scale slide-level clinical and research use. Here, we introduce GigaPath-Flash and GigaTIME-Flash, efficient models for whole-slide pathology AI and spatial proteomics prediction. GigaPath-Flash combines a 22M-parameter ViT-S tile encoder with a 21M-parameter LongNet slide encoder, both pretrained on large-scale real-world histopathology data. Its compact tile encoder is distilled from the billion-parameter GigaPath (ViT-g) teacher and shared by both models. GigaPath-Flash retains 97% of GigaPath's average slide-level performance with 50x less compute. GigaTIME-Flash extends this backbone to predict the tumor immune microenvironment directly from routine H&E images. It surpasses the original CNN-based GigaTIME in prediction quality while running 6x faster and using 8x less GPU memory. Together with GigaPath and GigaTIME, these models form an open-weight, Apache-2.0-licensed family pretrained on large-scale real-world clinical data. By releasing all models and weights, we provide accessible building blocks for computational pathology, immuno-oncology, and precision health.

The accuracy of any machine learning potential can only be as good as the data used in the fitting process. The most efficient model therefore selects the training data that will yield the highest accuracy compared to the cost of obtaining the training data. We investigate the convergence of prediction errors of quantum machine learning models for organic molecules trained on energy and force labels, two common data types in molecular simulations. When training and predicting on different geometries corresponding to the same single molecule, we find that the inclusion of atomic forces in the training data increases the accuracy of the predicted energies and forces 7-fold, compared to models trained on energy only. Surprisingly, for models trained on sets of organic molecules of varying size and composition in non-equilibrium conformations, inclusion of forces in the training does not improve the predicted energies of unseen molecules in new conformations. Predicted forces, however, also improve about 7-fold. For the systems studied, we find that force labels and energy labels contribute equally per label to the convergence of the prediction errors. Choosing to include derivatives such as atomic forces in the training set or not should thus depend on, not only on the computational cost of acquiring the force labels for training, but also on the application domain, the property of interest, and the desirable size of the machine learning model. Based on our observations we describe key considerations for the creation of datasets for potential energy surfaces of molecules which maximize the efficiency of the resulting machine learning models.

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.

Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels and memory-bound pipelines that underutilize GPUs. We show that a missing principle is making GNN-MD IO-aware, carefully accounting for reads and writes between GPU high-bandwidth memory (HBM) and on-chip SRAM. We present FlashSchNet, an efficient and accurate IO-aware SchNet-style GNN-MD framework built on four techniques: (1) flash radial basis, which fuses pairwise distance computation, Gaussian basis expansion, and cosine envelope into a single tiled pass, computing each distance once and reusing it across all basis functions; (2) flash message passing, which fuses cutoff, neighbor gather, filter multiplication, and reduction to avoid materializing edge tensors in HBM; (3) flash aggregation, which reformulates scatter-add via CSR segment reduce, reducing atomic writes by a factor of feature dimension and enabling contention-free accumulation in both forward and backward passes; (4) channel-wise 16-bit quantization that exploits the low per-channel dynamic range in SchNet MLP weights to further improve throughput with negligible accuracy loss. On a single NVIDIA RTX PRO 6000, FlashSchNet achieves 1000 ns/day aggregate simulation throughput over 64 parallel replicas on coarse-grained (CG) protein containing 269 beads (6.5x faster than CGSchNet baseline with 80% reduction of peak memory), surpassing classical force fields (e.g. MARTINI) while retaining SchNet-level accuracy and transferability.