Daily Papers

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.

The integration of new modalities enhances the capabilities of multimodal large language models (MLLMs) but also introduces additional vulnerabilities. In particular, simple visual jailbreaking attacks can manipulate open-source MLLMs more readily than sophisticated textual attacks. However, these underdeveloped attacks exhibit extremely limited cross-model transferability, failing to reliably identify vulnerabilities in closed-source MLLMs. In this work, we analyse the loss landscape of these jailbreaking attacks and find that the generated attacks tend to reside in high-sharpness regions, whose effectiveness is highly sensitive to even minor parameter changes during transfer. To further explain the high-sharpness localisations, we analyse their feature representations in both the intermediate layers and the spectral domain, revealing an improper reliance on narrow layer representations and semantically poor frequency components. Building on this, we propose a Feature Over-Reliance CorrEction (FORCE) method, which guides the attack to explore broader feasible regions across layer features and rescales the influence of frequency features according to their semantic content. By eliminating non-generalizable reliance on both layer and spectral features, our method discovers flattened feasible regions for visual jailbreaking attacks, thereby improving cross-model transferability. Extensive experiments demonstrate that our approach effectively facilitates visual red-teaming evaluations against closed-source MLLMs.

In the rapidly evolving landscape of AI research and application, Multimodal Large Language Models (MLLMs) have emerged as a transformative force, adept at interpreting and integrating information from diverse modalities such as text, images, and Graphical User Interfaces (GUIs). Despite these advancements, the nuanced interaction and understanding of GUIs pose a significant challenge, limiting the potential of existing models to enhance automation levels. To bridge this gap, this paper presents V-Zen, an innovative Multimodal Large Language Model (MLLM) meticulously crafted to revolutionise the domain of GUI understanding and grounding. Equipped with dual-resolution image encoders, V-Zen establishes new benchmarks in efficient grounding and next-action prediction, thereby laying the groundwork for self-operating computer systems. Complementing V-Zen is the GUIDE dataset, an extensive collection of real-world GUI elements and task-based sequences, serving as a catalyst for specialised fine-tuning. The successful integration of V-Zen and GUIDE marks the dawn of a new era in multimodal AI research, opening the door to intelligent, autonomous computing experiences. This paper extends an invitation to the research community to join this exciting journey, shaping the future of GUI automation. In the spirit of open science, our code, data, and model will be made publicly available, paving the way for multimodal dialogue scenarios with intricate and precise interactions.

The discovery of extremal structures in mathematics requires navigating vast and nonconvex landscapes where analytical methods offer little guidance and brute-force search becomes intractable. We introduce FlowBoost, a closed-loop generative framework that learns to discover rare and extremal geometric structures by combining three components: (i) a geometry-aware conditional flow-matching model that learns to sample high-quality configurations, (ii) reward-guided policy optimization with action exploration that directly optimizes the generation process toward the objective while maintaining diversity, and (iii) stochastic local search for both training-data generation and final refinement. Unlike prior open-loop approaches, such as PatternBoost that retrains on filtered discrete samples, or AlphaEvolve which relies on frozen Large Language Models (LLMs) as evolutionary mutation operators, FlowBoost enforces geometric feasibility during sampling, and propagates reward signal directly into the generative model, closing the optimization loop and requiring much smaller training sets and shorter training times, and reducing the required outer-loop iterations by orders of magnitude, while eliminating dependence on LLMs. We demonstrate the framework on four geometric optimization problems: sphere packing in hypercubes, circle packing maximizing sum of radii, the Heilbronn triangle problem, and star discrepancy minimization. In several cases, FlowBoost discovers configurations that match or exceed the best known results. For circle packings, we improve the best known lower bounds, surpassing the LLM-based system AlphaEvolve while using substantially fewer computational resources.

We developed a multiscale approach (MultiSCAAL) that integrates the potential of mean force (PMF) obtained from all-atomistic molecular dynamics simulations with a knowledge-based energy function for coarse-grained molecular simulations in better exploring the energy landscape of a small protein under chemical interference such as chemical denaturation. An excessive amount of water molecules in all-atomistic molecular dynamics simulations often negatively impacts the sampling efficiency of some advanced sampling techniques such as the replica exchange method and it makes the investigation of chemical interferences on protein dynamics difficult. Thus, there is a need to develop an effective strategy that focuses on sampling structural changes in protein conformations rather than solvent molecule fluctuations. In this work, we address this issue by devising a multiscale simulation scheme (MultiSCAAL) that bridges the gap between all-atomistic molecular dynamics simulation and coarse-grained molecular simulation. The two key features of this scheme are the Boltzmann inversion and a protein atomistic reconstruction method we previously developed (SCAAL). Using MultiSCAAL, we were able to enhance the sampling efficiency of proteins solvated by explicit water molecules. Our method has been tested on the folding energy landscape of a small protein Trp-cage with explicit solvent under 8M urea using both the all-atomistic replica exchange molecular dynamics (AA-REMD) and MultiSCAAL. We compared computational analyses on ensemble conformations of Trp-cage with its available experimental NOE distances. The analysis demonstrated that conformations explored by MultiSCAAL better agree with the ones probed in the experiments because it can effectively capture the changes in side chain orientations that can flip out of the hydrophobic pocket in the presence of urea and water molecules.

The rapid growth of Large Language Models (LLMs) has been a driving force in transforming various domains, reshaping the artificial general intelligence landscape. However, the increasing computational and memory demands of these models present substantial challenges, hindering both academic research and practical applications. To address these issues, a wide array of methods, including both algorithmic and hardware solutions, have been developed to enhance the efficiency of LLMs. This survey delivers a comprehensive review of algorithmic advancements aimed at improving LLM efficiency. Unlike other surveys that typically focus on specific areas such as training or model compression, this paper examines the multi-faceted dimensions of efficiency essential for the end-to-end algorithmic development of LLMs. Specifically, it covers various topics related to efficiency, including scaling laws, data utilization, architectural innovations, training and tuning strategies, and inference techniques. This paper aims to serve as a valuable resource for researchers and practitioners, laying the groundwork for future innovations in this critical research area. Our repository of relevant references is maintained at url{https://github.com/tding1/Efficient-LLM-Survey}.

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.

We present FORGE, a method for sim-to-real transfer of force-aware manipulation policies in the presence of significant pose uncertainty. During simulation-based policy learning, FORGE combines a force threshold mechanism with a dynamics randomization scheme to enable robust transfer of the learned policies to the real robot. At deployment, FORGE policies, conditioned on a maximum allowable force, adaptively perform contact-rich tasks while avoiding aggressive and unsafe behaviour, regardless of the controller gains. Additionally, FORGE policies predict task success, enabling efficient termination and autonomous tuning of the force threshold. We show that FORGE can be used to learn a variety of robust contact-rich policies, including the forceful insertion of snap-fit connectors. We further demonstrate the multistage assembly of a planetary gear system, which requires success across three assembly tasks: nut threading, insertion, and gear meshing. Project website can be accessed at https://noseworm.github.io/forge/.

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.

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/

Foundation models are premised on the idea that sequence prediction can uncover deeper domain understanding, much like how Kepler's predictions of planetary motion later led to the discovery of Newtonian mechanics. However, evaluating whether these models truly capture deeper structure remains a challenge. We develop a technique for evaluating foundation models that examines how they adapt to synthetic datasets generated from some postulated world model. Our technique measures whether the foundation model's inductive bias aligns with the world model, and so we refer to it as an inductive bias probe. Across multiple domains, we find that foundation models can excel at their training tasks yet fail to develop inductive biases towards the underlying world model when adapted to new tasks. We particularly find that foundation models trained on orbital trajectories consistently fail to apply Newtonian mechanics when adapted to new physics tasks. Further analysis reveals that these models behave as if they develop task-specific heuristics that fail to generalize.

How to enable robots to predict the outcomes of their own motion intentions in three-dimensional space has been a fundamental problem in embodied intelligence. To explore more general spatial imagination capabilities, here we present AirScape, the first world model designed for six-degree-of-freedom aerial agents. AirScape predicts future observation sequences based on current visual inputs and motion intentions. Specifically, we construct an dataset for aerial world model training and testing, which consists of 11k video-intention pairs. This dataset includes first-person-view videos capturing diverse drone actions across a wide range of scenarios, with over 1,000 hours spent annotating the corresponding motion intentions. Then we develop a two-phase training schedule to train a foundation model -- initially devoid of embodied spatial knowledge -- into a world model that is controllable by motion intentions and adheres to physical spatio-temporal constraints.

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.

Human-level contact-rich manipulation relies on the distinct roles of two key modalities: vision provides spatially rich but temporally slow global context, while force sensing captures rapid, high-frequency local contact dynamics. Integrating these signals is challenging due to their fundamental frequency and informational disparities. In this work, we propose ImplicitRDP, a unified end-to-end visual-force diffusion policy that integrates visual planning and reactive force control within a single network. We introduce Structural Slow-Fast Learning, a mechanism utilizing causal attention to simultaneously process asynchronous visual and force tokens, allowing the policy to perform closed-loop adjustments at the force frequency while maintaining the temporal coherence of action chunks. Furthermore, to mitigate modality collapse where end-to-end models fail to adjust the weights across different modalities, we propose Virtual-target-based Representation Regularization. This auxiliary objective maps force feedback into the same space as the action, providing a stronger, physics-grounded learning signal than raw force prediction. Extensive experiments on contact-rich tasks demonstrate that ImplicitRDP significantly outperforms both vision-only and hierarchical baselines, achieving superior reactivity and success rates with a streamlined training pipeline. Code and videos will be publicly available at https://implicit-rdp.github.io.

Systems of interacting objects often evolve under the influence of field effects that govern their dynamics, yet previous works have abstracted away from such effects, and assume that systems evolve in a vacuum. In this work, we focus on discovering these fields, and infer them from the observed dynamics alone, without directly observing them. We theorize the presence of latent force fields, and propose neural fields to learn them. Since the observed dynamics constitute the net effect of local object interactions and global field effects, recently popularized equivariant networks are inapplicable, as they fail to capture global information. To address this, we propose to disentangle local object interactions -- which are SE(n) equivariant and depend on relative states -- from external global field effects -- which depend on absolute states. We model interactions with equivariant graph networks, and combine them with neural fields in a novel graph network that integrates field forces. Our experiments show that we can accurately discover the underlying fields in charged particles settings, traffic scenes, and gravitational n-body problems, and effectively use them to learn the system and forecast future trajectories.

Vision-language-action (VLA) models have recently shown strong potential in enabling robots to follow language instructions and execute precise actions. However, most VLAs are built upon vision-language models pretrained solely on 2D data, which lack accurate spatial awareness and hinder their ability to operate in the 3D physical world. Existing solutions attempt to incorporate explicit 3D sensor inputs such as depth maps or point clouds, but these approaches face challenges due to sensor noise, hardware heterogeneity, and incomplete depth coverage in existing datasets. Alternative methods that estimate 3D cues from 2D images also suffer from the limited performance of depth estimators.We propose Spatial Forcing (SF), a simple yet effective alignment strategy that implicitly forces VLA models to develop spatial comprehension capabilities without relying on explicit 3D inputs or depth estimators. SF aligns intermediate visual embeddings of VLAs with geometric representations produced by pretrained 3D foundation models. By enforcing alignment at intermediate layers, SF guides VLAs to encode richer spatial representations that enhance action precision.Extensive experiments in simulation and real-world environments demonstrate that SF achieves state-of-the-art results, surpassing both 2D- and 3D-based VLAs. SF further accelerates training by up to 3.8x and improves data efficiency across diverse robotic tasks. Project page is at https://spatial-forcing.github.io/

The prevalent paradigm in robot learning attempts to generalize across environments, embodiments, and tasks with language prompts at runtime. A fundamental tension limits this approach: language is often too abstract to guide the concrete physical understanding required for robust manipulation. In this work, we introduce Contact-Anchored Policies (CAP), which replace language conditioning with points of physical contact in space. Simultaneously, we structure CAP as a library of modular utility models rather than a monolithic generalist policy. This factorization allows us to implement a real-to-sim iteration cycle: we build EgoGym, a lightweight simulation benchmark, to rapidly identify failure modes and refine our models and datasets prior to real-world deployment. We show that by conditioning on contact and iterating via simulation, CAP generalizes to novel environments and embodiments out of the box on three fundamental manipulation skills while using only 23 hours of demonstration data, and outperforms large, state-of-the-art VLAs in zero-shot evaluations by 56%. All model checkpoints, codebase, hardware, simulation, and datasets will be open-sourced. Project page: https://cap-policy.github.io/

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/.