❌

Normal view

Mozi: Governed Autonomy for Drug Discovery LLM Agents

arXiv:2603.03655v1 Announce Type: new Abstract: Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

Dual-Modality Multi-Stage Adversarial Safety Training: Robustifying Multimodal Web Agents Against Cross-Modal Attacks

arXiv:2603.04364v1 Announce Type: cross Abstract: Multimodal web agents that process both screenshots and accessibility trees are increasingly deployed to interact with web interfaces, yet their dual-stream architecture opens an underexplored attack surface: an adversary who injects content into the webpage DOM simultaneously corrupts both observation channels with a consistent deceptive narrative. Our vulnerability analysis on MiniWob++ reveals that attacks including a visual component far outperform text-only injections, exposing critical gaps in text-centric VLM safety training. Motivated by this finding, we propose Dual-Modality Multi-Stage Adversarial Safety Training (DMAST), a framework that formalizes the agent-attacker interaction as a two-player zero-sum Markov game and co-trains both players through a three-stage pipeline: (1) imitation learning from a strong teacher model, (2) oracle-guided supervised fine-tuning that uses a novel zero-acknowledgment strategy to instill task-focused reasoning under adversarial noise, and (3) adversarial reinforcement learning via Group Relative Policy Optimization (GRPO) self-play. On out-of-distribution tasks, DMAST substantially mitigates adversarial risks while simultaneously doubling task completion efficiency. Our approach significantly outperforms established training-based and prompt-based defenses, demonstrating genuine co-evolutionary progress and robust generalization to complex, unseen environments.
  • ✇cs.AI, q-bio.NC updates on arXiv.org
  • Conjuring Semantic Similarity Tian Yu Liu · Stefano Soatto
    arXiv:2410.16431v3 Announce Type: replace Abstract: The semantic similarity between sample expressions measures the distance between their latent 'meaning'. These meanings are themselves typically represented by textual expressions. We propose a novel approach whereby the semantic similarity among textual expressions is based not on other expressions they can be rephrased as, but rather based on the imagery they evoke. While this is not possible with humans, generative models allow us to easily
     

Conjuring Semantic Similarity

arXiv:2410.16431v3 Announce Type: replace Abstract: The semantic similarity between sample expressions measures the distance between their latent 'meaning'. These meanings are themselves typically represented by textual expressions. We propose a novel approach whereby the semantic similarity among textual expressions is based not on other expressions they can be rephrased as, but rather based on the imagery they evoke. While this is not possible with humans, generative models allow us to easily visualize and compare generated images, or their distribution, evoked by a textual prompt. Therefore, we characterize the semantic similarity between two textual expressions simply as the distance between image distributions they induce, or 'conjure.' We show that by choosing the Jeffreys divergence between the reverse-time diffusion stochastic differential equations (SDEs) induced by each textual expression, this can be directly computed via Monte-Carlo sampling. Our method contributes a novel perspective on semantic similarity that not only aligns with human-annotated scores, but also opens up new avenues for the evaluation of text-conditioned generative models while offering better interpretability of their learnt representations.

Uni-NTFM: A Unified Foundation Model for EEG Signal Representation Learning

arXiv:2509.24222v2 Announce Type: replace-cross Abstract: Current foundation models for electroencephalography (EEG) rely on architectures adapted from computer vision or natural language processing, typically treating neural signals as pixel grids or token sequences. This approach overlooks that the neural activity is activated by diverse sparse coding across a complex geometric topological cortex. Inspired by biological neural mechanisms, we propose the Unified Neural Topological Foundation Model (Uni-NTFM), an architecture rooted in three core neuroscience principles. In detail, to align with the brain's decoupled coding mechanism, we design the Heterogeneous Feature Projection Module. This module simultaneously encodes both time-domain non-stationary transients and frequency-domain steady-state rhythms, ensuring high quality in both waveform morphology and spectral rhythms. Moreover, we introduce a Topological Embedding mechanism to inject structured spatial priors and align different sensor configurations onto a unified latent functional topography, effectively reconstructing the geometry of brain regions. Furthermore, we achieve functional modularization and sparse coding efficiency of biological networks by constructing the Mixture-of-Experts Transformer network. This dynamic routing mechanism assigns different signal patterns and tasks to specialized neural subnetworks, and effectively preventing task interference while increasing the model capacity to record-breaking 1.9 billion parameters. Uni-NTFM is pre-trained on a diverse corpus comprising 28,000 hours of EEG data, and outperforms existing models across nine distinct downstream tasks under both linear probing and fine-tuning settings, demonstrating that aligning model architecture with neural mechanisms is significant to learn universal representations and achieve generalizable brain decoding. Our code is available at: https://anonymous.4open.science/r/Uni-NTFM-0924.

xLLM Technical Report

arXiv:2510.14686v2 Announce Type: replace-cross Abstract: We introduce xLLM, an intelligent and efficient Large Language Model (LLM) inference framework designed for high-performance, large-scale enterprise-grade serving, with deep optimizations for diverse AI accelerators. To address these challenges, xLLM builds a novel decoupled service-engine architecture. At the service layer, xLLM-Service features an intelligent scheduling module that efficiently processes multimodal requests and co-locates online and offline tasks through unified elastic scheduling to maximize cluster utilization. This module also relies on a workload-adaptive dynamic Prefill-Decode (PD) disaggregation policy and a novel Encode-Prefill-Decode (EPD) disaggregation policy designed for multimodal inputs. Furthermore, it incorporates a distributed architecture to provide global KV Cache management and robust fault-tolerant capabilities for high availability. At the engine layer, xLLM-Engine co-optimizes system and algorithm designs to fully saturate computing resources. This is achieved through comprehensive multi-layer execution pipeline optimizations, an adaptive graph mode and an xTensor memory management. xLLM-Engine also further integrates algorithmic enhancements such as optimized speculative decoding and dynamic EPLB, collectively serving to substantially boost throughput and inference efficiency. Extensive evaluations demonstrate that xLLM delivers significantly superior performance and resource efficiency. Under identical TPOT constraints, xLLM achieves throughput up to 1.7x that of MindIE and 2.2x that of vLLM-Ascend with Qwen-series models, while maintaining an average throughput of 1.7x that of MindIE with Deepseek-series models. xLLM framework is publicly available at https://github.com/jd-opensource/xllm and https://github.com/jd-opensource/xllm-service.

MoMaGen: Generating Demonstrations under Soft and Hard Constraints for Multi-Step Bimanual Mobile Manipulation

arXiv:2510.18316v2 Announce Type: replace-cross Abstract: Imitation learning from large-scale, diverse human demonstrations has been shown to be effective for training robots, but collecting such data is costly and time-consuming. This challenge intensifies for multi-step bimanual mobile manipulation, where humans must teleoperate both the mobile base and two high-DoF arms. Prior X-Gen works have developed automated data generation frameworks for static (bimanual) manipulation tasks, augmenting a few human demos in simulation with novel scene configurations to synthesize large-scale datasets. However, prior works fall short for bimanual mobile manipulation tasks for two major reasons: 1) a mobile base introduces the problem of how to place the robot base to enable downstream manipulation (reachability) and 2) an active camera introduces the problem of how to position the camera to generate data for a visuomotor policy (visibility). To address these challenges, MoMaGen formulates data generation as a constrained optimization problem that satisfies hard constraints (e.g., reachability) while balancing soft constraints (e.g., visibility while navigation). This formulation generalizes across most existing automated data generation approaches and offers a principled foundation for developing future methods. We evaluate on four multi-step bimanual mobile manipulation tasks and find that MoMaGen enables the generation of much more diverse datasets than previous methods. As a result of the dataset diversity, we also show that the data generated by MoMaGen can be used to train successful imitation learning policies using a single source demo. Furthermore, the trained policy can be fine-tuned with a very small amount of real-world data (40 demos) to be succesfully deployed on real robotic hardware. More details are on our project page: momagen.github.io.

Step 3.5 Flash: Open Frontier-Level Intelligence with 11B Active Parameters

arXiv:2602.10604v2 Announce Type: replace-cross Abstract: We introduce Step 3.5 Flash, a sparse Mixture-of-Experts (MoE) model that bridges frontier-level agentic intelligence and computational efficiency. We focus on what matters most when building agents: sharp reasoning and fast, reliable execution. Step 3.5 Flash pairs a 196B-parameter foundation with 11B active parameters for efficient inference. It is optimized with interleaved 3:1 sliding-window/full attention and Multi-Token Prediction (MTP-3) to reduce the latency and cost of multi-round agentic interactions. To reach frontier-level intelligence, we design a scalable reinforcement learning framework that combines verifiable signals with preference feedback, while remaining stable under large-scale off-policy training, enabling consistent self-improvement across mathematics, code, and tool use. Step 3.5 Flash demonstrates strong performance across agent, coding, and math tasks, achieving 85.4% on IMO-AnswerBench, 86.4% on LiveCodeBench-v6 (2024.08-2025.05), 88.2% on tau2-Bench, 69.0% on BrowseComp (with context management), and 51.0% on Terminal-Bench 2.0, comparable to frontier models such as GPT-5.2 xHigh and Gemini 3.0 Pro. By redefining the efficiency frontier, Step 3.5 Flash provides a high-density foundation for deploying sophisticated agents in real-world industrial environments.

DiffusionNFT: Online Diffusion Reinforcement with Forward Process

arXiv:2509.16117v2 Announce Type: replace-cross Abstract: Online reinforcement learning (RL) has been central to post-training language models, but its extension to diffusion models remains challenging due to intractable likelihoods. Recent works discretize the reverse sampling process to enable GRPO-style training, yet they inherit fundamental drawbacks, including solver restrictions, forward-reverse inconsistency, and complicated integration with classifier-free guidance (CFG). We introduce Diffusion Negative-aware FineTuning (DiffusionNFT), a new online RL paradigm that optimizes diffusion models directly on the forward process via flow matching. DiffusionNFT contrasts positive and negative generations to define an implicit policy improvement direction, naturally incorporating reinforcement signals into the supervised learning objective. This formulation enables training with arbitrary black-box solvers, eliminates the need for likelihood estimation, and requires only clean images rather than sampling trajectories for policy optimization. DiffusionNFT is up to $25\times$ more efficient than FlowGRPO in head-to-head comparisons, while being CFG-free. For instance, DiffusionNFT improves the GenEval score from 0.24 to 0.98 within 1k steps, while FlowGRPO achieves 0.95 with over 5k steps and additional CFG employment. By leveraging multiple reward models, DiffusionNFT significantly boosts the performance of SD3.5-Medium in every benchmark tested.
❌