ALKEMIE Agent: an autonomous platform for computational materials design

Despite the powerful multi-scale modeling methods and high-throughput infrastructures established in the materials community, real material computation workflows remain fragmented and heavily manual, requiring researchers to constantly bridge software tools, data analysis, and intermediate decisions. This growing gap between methodological capability and practical execution highlights the need for a new kind of autonomous computational framework, one that can coordinate tools, knowledge, and workflows in a more unified and adaptive way. Here, we introduce ALKEMIE Agent, an agentic platform in which retrieval-augmented generation, a materials-computation knowledge base, registered skills, database-supported provenance, AI-assisted structure modeling, bounded task execution, tool-calling iteration, and error-diagnostic assistance are integrated within a traceable control loop. The capabilities of ALKEMIE Agent are demonstrated through applications including materials recommendation, structure modeling, phonon calculations, machine-learned interatomic potential training, LAMMPS simulations, Ab Initio Monte Carlo (AIMC) sampling, and active-learning-based materials screening. Finally, we outline the future directions and challenges for the development of agentic platforms for computational materials design.

Communication-Aware Robot Execution for Cloud Inference under Spatially Heterogeneous Connectivity

Cloud-hosted foundation models enable robots to use semantic reasoning beyond onboard computational limits. In this setting, the robot executes a currently available primitive generated by the cloud, and continued task progress requires the next cloud result before this primitive is exhausted. This execution becomes fragile under spatially heterogeneous connectivity, because the current primitive determines when the next result is needed, whereas the wireless environment determines where the next request can be submitted and where the response can be retrieved. Strategies that reduce latency or improve individual transmissions can shorten this dependency, but they do not determine a submission location that supports reliable upload and leaves a feasible opportunity for response retrieval. To address this problem, we introduce the request--response window, which characterizes the time required for the next cloud cycle, including uplink transmission, cloud inference, downlink retrieval, and inference uncertainty. Building on this window and an available communication map, the proposed framework treats the next request point as a motion decision during ongoing primitive execution, selecting it to provide sufficient communication quality for cloud request submission while preserving progress within the finite support of the current primitive. The selected request point is incorporated into a local planner, which guides the robot toward the request point before submission and then continues task execution while maintaining sufficient connectivity for retrieving the next cloud result. Experiments in an indoor wireless scenario built from measurements show that the proposed method achieves the best or tied-best task success among the compared methods, while using fewer request attempts and producing lower request failure rates.

Exposure Bias Can Alleviate Itself via Directional and Frequency Rectification in Flow Matching

Flow Matching (FM) has achieved remarkable generative performance, yet it suffers from exposure bias due to discrepancies between training and inference. Existing mitigation strategies typically rely on static constraints or external heuristics. In this work, we propose that exposure bias itself inherently contains dynamic signals that can guide its own rectification. To leverage this, we introduce DEFAR (DirEctional-Frequency Adaptive Rectification). This framework simulates the single-step inference process during training to identify exposure bias. It utilizes directional and frequency-adaptive feedback signals from the bias itself to enhance the model's bias tolerance. It consists of two key components: (1) Anti-Drift Rectification (ADR). ADR treats inference-time drift as a signal to learn the direction to steer deviated states back toward the target. ADR endows the model with intrinsic active self-rectification capabilities; (2) Frequency Compensation (FC). Empirically, we observe that accumulated bias often stems from a lack of low-frequency components in high-noise stages, and exposure bias carries the missing frequency. FC leverages the bias itself as a self-feedback weighting factor to reinforce the missing frequency components. Experiments on CIFAR-10, CelebA-64, and ImageNet-256/512 show that DEFAR outperforms prior baselines and further demonstrates favorable scalability, compatibility, and inference robustness.

Geometric bias in eigenspace perturbation under random heterogeneous noise

Spectral methods rely fundamentally on the stability of principal eigenspaces under random perturbations. Classically, this stability is quantified by the Davis-Kahan and Wedin theorems, which bound the eigenspace error using the operator norm of the noise and the relevant spectral gaps. While these worst-case bounds are sharp for arbitrary deterministic perturbations, they can be wasteful in the low-rank signal-plus-random-noise setting, as they fail to capture the fine-grained interaction between the signal geometry and the noise distribution. In this paper, we study the spectral perturbation of signal-plus-noise matrices corrupted by sparse, random noise with an arbitrary, inhomogeneous variance profile. We demonstrate that under heterogeneous noise variances, the empirical eigenvectors suffer a systematic, deterministic geometric bias that is entirely invisible to classical perturbation bounds. By leveraging the Quadratic Vector Equation (QVE) and establishing fine-grained isotropic local laws, we derive near-optimal, non-asymptotic perturbation bounds for the leading eigenspaces in the operator and $2\to\infty$ norms. The bounds separate the usual signal-to-noise contribution, stochastic fluctuations, and structured geometric bias terms determined by the alignment between the signal eigenspaces and the row-wise variance profile.

Event-Driven Proactive Assistive Manipulation with Grounded Vision-Language Planning

Assistance in collaborative manipulation is often initiated by user instructions, making high-level reasoning request-driven. In fluent human teamwork, however, partners often infer the next helpful step from the observed outcome of an action rather than waiting for instructions. Motivated by this, we introduce a shift from request-driven assistance to event-driven proactive assistance, where robot actions are initiated by workspace state transitions induced by human--object interactions rather than user-provided task instructions. To this end, we propose an event-driven framework that tracks interaction progress with an event monitor and, upon event completion, extracts stabilized pre/post snapshots that characterize the resulting state transition. Given the stabilized snapshots, the planner analyzes the implied state transition to infer a task-level goal and decide whether to intervene; if so, it generates a sequence of assistive actions. To make outputs executable and verifiable, we restrict actions to a set of action primitives and reference objects via integer IDs. We evaluate the framework on a real tabletop number-block collaboration task, demonstrating that explicit pre/post state-change evidence improves proactive completion on solvable scenes and appropriate waiting on unsolvable ones.

Dynamic-I2V: Exploring Image-to-Video Generaion Models via Multimodal LLM

Recent advancements in image-to-video (I2V) generation have shown promising performance in conventional scenarios. However, these methods still encounter significant challenges when dealing with complex scenes that require a deep understanding of nuanced motion and intricate object-action relationships. To address these challenges, we present Dynamic-I2V, an innovative framework that integrates Multimodal Large Language Models (MLLMs) to jointly encode visual and textual conditions for a diffusion transformer (DiT) architecture. By leveraging the advanced multimodal understanding capabilities of MLLMs, our model significantly improves motion controllability and temporal coherence in synthesized videos. The inherent multimodality of Dynamic-I2V further enables flexible support for diverse conditional inputs, extending its applicability to various downstream generation tasks. Through systematic analysis, we identify a critical limitation in current I2V benchmarks: a significant bias towards favoring low-dynamic videos, stemming from an inadequate balance between motion complexity and visual quality metrics. To resolve this evaluation gap, we propose DIVE - a novel assessment benchmark specifically designed for comprehensive dynamic quality measurement in I2V generation. In conclusion, extensive quantitative and qualitative experiments confirm that Dynamic-I2V attains state-of-the-art performance in image-to-video generation, particularly revealing significant improvements of 42.5%, 7.9%, and 11.8% in dynamic range, controllability, and quality, respectively, as assessed by the DIVE metric in comparison to existing methods.