Modern LLM RL systems separate rollout generation from policy optimization. These two stages are expected to produce token probabilities that match exactly. However, implementation differences can make them assign different values to the same sequence under the same model weights, inducing Training-Inference Mismatch (TIM). TIM is difficult to inspect because it is entangled with off-policy drift and common stabilization mechanisms. In this work, we isolate TIM in a zero-mismatch diagnostic setting (VeXact), and show that small token-level numerical disagreements can independently cause training collapse. We further show that TIM changes the effective optimization problem, and identify a set of remedies that could mitigate TIM. Our results suggest that TIM is not benign numerical noise, but a systems-level perturbation that should be treated as a first-order factor in analyzing LLM RL stability.

The key problem facing ChatGPT-like AI's use across society is that its behavior can shift, unnoticed, from desirable to undesirable -- encouraging self-harm, extremist acts, financial losses, or costly medical and military mistakes -- and no one can yet predict when. Shifts persist in even the newest AI models despite remarkable progress in AI modeling, post-training alignment and safeguards. Here we show that a vector generalization of fusion-fission group dynamics observed in living and active-matter systems drives -- and can forecast -- future shifts in the AI's behavior. The shift condition, which is also derivable mathematically, results from group-level competition between the conversation-so-far (C) and the desirable (B) and undesirable (D) basin dynamics which can be estimated in advance for a given application. It is neither model-specific nor driven by stochastic sampling. We validate it across six independent tests, including: 90 percent correct across seven AI models spanning two orders of magnitude in parameter count (124M-12B); production-scale persistence across ten frontier chatbots; and a priori time-stamped prediction eleven months before the Stanford 'Delusional Spirals' corpus appeared, and independently confirmed by that corpus of 207,443 human-AI exchanges. Because it sits architecturally below the current safety stack, the same formula provides a real-time warning signal that current alignment does not supply, portable across current and future ChatGPT-like AI architectures and instantiable in application domains where competing response classes can be defined.

Large language models can now be personalised efficiently at scale using parameter efficient finetuning methods (PEFTs), but serving user-specific PEFTs harms throughput, even with specialised kernels and memory management techniques. This is because, theoretically and empirically, a mismatch exists between prefill (processing a large number of tokens at once) and decode (generating a single token autoregressively): the latter has far lower throughput when serving multiple adapters. Rather than optimising performance relative to parameter count, for efficient multi-adapter serving, we instead ought to optimise performance relative to serving throughput. We therefore propose PreFT (Prefill-only Finetuning), wherein we only apply the adapter to prefill tokens and discard it afterwards. PreFT significantly increases throughput with minimal effect on performance. We develop and release an efficient implementation of two prefill-only PEFTs, LoRA and ReFT, on the vLLM inference engine. We first show that serving multi-user PreFTs is more efficient than traditional PEFTs ($1.9\times$ the throughput when serving $512$ adapters on Llama 3.1 70B). Then, we compare the performance of prefill-only vs. all-token adapters on a variety of supervised finetuning and reinforcement learning tasks with LMs at varying scales. On SFT, we observe that the evaluation loss of PreFTs is higher than PEFTs, but can be compensated by increasing rank with nearly no reduction in throughput. On RL, we consistently find that PreFTs approach parity with standard PEFTs. Together, this work validates prefill-only adaptation of LLMs as a more favourable accuracy-throughput tradeoff than existing PEFTs for personalised serving.

Genetic circuit design remains a laborious, expert-driven process despite decades of progress in synthetic biology. We study this problem through code generation: models produce Python code in pysbol3 to construct genetic circuits in the Synthetic Biology Open Language (SBOL), a formal representation that supports automated verification. We introduce GenCircuit-RL, a reinforcement learning framework built around hierarchical verification rewards that decompose correctness into five levels, from code execution to task-specific topological checks, and a four-stage curriculum that shifts optimization pressure from code generation to functional reasoning. We also introduce SynBio-Reason, a benchmark of 4,753 circuits spanning six canonical circuit types and nine tasks from code repair to de novo design, with held-out biological parts for out-of-distribution evaluation. Hierarchical verification improves task success on functional reasoning tasks by 14 to 16 percentage points over binary rewards, and curriculum learning is required for strong design performance. The resulting models generate topologically correct circuits, generalize to novel biological parts, and rediscover canonical designs from the synthetic biology literature.

Automatic multi-agent systems aim to instantiate agent workflows without relying on manually designed or fixed orchestration. However, existing automatic MAS approaches remain only partially adaptive: they either perform training-free test-time search or optimize the meta-level designer while keeping downstream execution agents frozen, which creating a frozen-executor ceiling and leaving the end-to-end training of self-designing and self-executing agentic models unexplored. To address this, we introduce MetaAgent-X, an end-to-end reinforcement learning framework that jointly optimizes automatic MAS design and execution. MetaAgent-X enables script-based MAS generation, execution rollout collection, and credit assignment for both designer and executor trajectories. To support stable and scalable optimization, we propose Executor Designer Hierarchical Rollout and Stagewise Co-evolution to improve training stability and expose the dynamics of designer-executor co-evolution. MetaAgent-X consistently outperforms existing automatic MAS baselines, achieving up to 21.7% gains. Comprehensive ablations show that both designer and executor improve throughout training, and that effective automatic MAS learning follows a stagewise co-evolution process. These results establish end-to-end trainable automatic MAS as a practical paradigm for building self-designing and self-executing agentic models.

Concept Bottleneck Models (CBMs) offer interpretable alternatives to black-box predictors by introducing human-relatable concepts before the final output. However, existing CBMs struggle to verify whether predicted concepts correspond to the correct visual evidence, limiting their reliability. We propose a fine-grained CBM framework that grounds each concept in localized visual evidence, enabling direct inspection of where and how concepts are encoded. This design allows users to interpret predictions and verify that the model learns intended concepts rather than spurious correlations. Experiments on medical imaging benchmarks show that our learned concept space is information-complete and achieves predictive performance comparable to standard CBMs, while substantially improving transparency. Unlike post-hoc attribution methods, our framework validates both the presence and correctness of concept representations, bridging interpretability with verifiability. Our approach enhances the trustworthiness of CBMs and establishes a principled mechanism for human-model interaction at the concept level, paving the way toward more reliable and clinically actionable concept-based learning systems.

Recent frontier large language models predominantly rely on Mixture-of-Experts (MoE) architectures. Despite empirical progress, there is still no principled understanding of how hyperparameters should scale with network width $N$, expert width $N_e$, number of experts $M$, sparsity $K$, and depth $L$ to ensure both stability and optimal performance at scale. We take a principled step toward resolving this gap by analyzing three different scaling regimes: (I) co-scaling $N\asymp N_e$, (II) co-scaling $N\asymp M\asymp K$, and (III) full proportional scaling of $N, N_e, M$, and $K$. For each regime, we develop a novel Dynamical Mean Field Theory (DMFT) description of the limiting training dynamics of MoEs that provides a formal foundation for our analysis. Within this framework, we derive the unique parameterization for SGD and Adam satisfying all maximal-update ($μ$) desiderata. We then show that the resulting $μ$P prescription does not reliably induce monotonic improvement with scale or robust learning-rate transfer. We trace these pathologies to scale-dependent observables in the aggregation dynamics, which motivates a refined set of desiderata that we term maximal scale stability. Guided by this principle, we derive a Maximally Scale-Stable Parameterization (MSSP) for both SGD and Adam in all three scaling regimes, and characterize the corresponding limiting dynamics - qualitatively distinct from the $μ$P limit - through a separate DMFT analysis. Experiments verify that MSSP robustly recovers learning rate transfer and monotonic improvement with scale across regimes. Combined with existing depth-scaling theory, these results provide a complete scaling prescription for MoE architectures as a function of width, depth, expert width, and number of experts.

Motion planning for autonomous vehicles requires generating collision-free and dynamically feasible trajectories in complex environments under real-time constraints. While nonlinear optimal control formulations provide high-fidelity solutions, they are computationally demanding and sensitive to initialization, whereas geometric planning methods scale well but often decouple path selection from trajectory optimization. This paper studies the extent to which optimization over Graphs of Convex Sets (GCS) can approximate solutions of nonlinear optimal control problems in the context of autonomous driving. The free space is represented as a finite union of convex regions organized as a directed graph, allowing nonconvex geometry to be handled through discrete connectivity decisions while maintaining convex trajectory constraints within each region. Vehicle motion is parameterized using Bezier curves for the spatial path and a polynomial time-scaling function for temporal evolution. Under small-slip and linear tire assumptions, a simplified dynamic bicycle model enables approximate enforcement of dynamic feasibility through convex constraints on trajectory derivatives. The approach is evaluated in CommonRoad scenarios involving static obstacle avoidance and lane-changing maneuvers, and is compared against a nonlinear discrete-time optimal control formulation. The results indicate that the GCS-based method generates collision-free and dynamically consistent trajectories that closely match those obtained from the nonlinear program, while exhibiting improved computational efficiency and reduced sensitivity to initialization. These findings suggest that GCS provides a structured approximation of nonlinear motion planning problems, capturing dominant geometric and dynamic effects while preserving convexity in the continuous relaxation.

Retrieval-Augmented Generation (RAG) has become a powerful and widely used approach for improving large language models by grounding generation in retrieved evidence. However, RAG systems still produce incorrect answers in many cases. Why RAG fails despite having access to external information remains poorly understood. We present a model-internal study of retrieval-augmented generation that examines how retrieved evidence influences answer generation. Using circuit tracing, we construct attribution graphs that model the flow of information through transformer layers during decoding. These graphs represent interactions among retrieved context, intermediate model activations, and generated tokens, providing a graph, circuit-level view of how external evidence is integrated into the model's reasoning process across multiple question answering benchmarks, we observe consistent structural differences: correct predictions exhibit deeper reasoning paths, more distributed evidence flow, and a more structured pattern of local connectivity, while failed predictions show shallower, fragmented, and overly concentrated evidence flow. Building on these findings, we develop a graph-based error detection framework that uses attribution-graph topology features. Furthermore, we show that attribution graphs enable targeted interventions. By reinforcing question-constrained evidence grounding, we reshape internal routing so that answer generation remains guided by the question, leading to more effective integration of retrieved information and fewer errors.

Diffusion Transformers (DiTs) deliver remarkable image and video generation quality but incur high computational cost, limiting scalability and on-device deployment. We introduce CoReDiT, a structured token pruning framework for DiTs across vision tasks. CoReDiT uses a linear-time spatial coherence score to estimate local redundancy in the latent token lattice and skips high coherence (redundant) tokens in self-attention. To maintain a dense representation and avoid visual discontinuities, we reconstruct skipped attention outputs via coherence-guided aggregation of spatially neighboring retained tokens. We further introduce a progressive, block-adaptive pruning schedule that increases pruning gradually and allocates larger budgets to blocks and denoising steps with higher redundancy. Across state-of-the-art diffusion backbones including PixArt-α and MagicDrive-V2, CoReDiT achieves up to 55% self-attention FLOPs reduction and inference speedups of 1.33x on cloud GPUs and 1.72x on mobile NPUs, while maintaining high visual quality. Notably, CoReDiT also increases on-device memory head-room, enabling higher-resolution generation.

Video-guided 3D animation holds immense potential for content creation, offering intuitive and precise control over dynamic assets. However, practical deployment faces a critical yet frequently overlooked hurdle: the pose misalignment dilemma. In real-world scenarios, the initial pose of a user-provided static mesh rarely aligns with the starting frame of a reference video. Naively forcing a mesh to follow a mismatched trajectory inevitably leads to severe geometric distortion or animation failure. To address this, we present Rectified Dynamic Mesh (R-DMesh), a unified framework designed to generate high-fidelity 4D meshes that are ``rectified'' to align with video context. Unlike standard motion transfer approaches, our method introduces a novel VAE that explicitly disentangles the input into a conditional base mesh, relative motion trajectories, and a crucial rectification jump offset. This offset is learned to automatically transform the arbitrary pose of the input mesh to match the video's initial state before animation begins. We process these components via a Triflow Attention mechanism, which leverages vertex-wise geometric features to modulate the three orthogonal flows, ensuring physical consistency and local rigidity during the rectification and animation process. For generation, we employ a Rectified Flow-based Diffusion Transformer conditioned on pre-trained video latents, effectively transferring rich spatio-temporal priors to the 3D domain. To support this task, we construct Video-RDMesh, a large-scale dataset of over 500k dynamic mesh sequences specifically curated to simulate pose misalignment. Extensive experiments demonstrate that R-DMesh not only solves the alignment problem but also enables robust downstream applications, including pose retargeting and holistic 4D generation.

Protein structure tokenizers (PSTs) are workhorses in protein language modeling, function prediction, and evolutionary analysis. However, existing PSTs only capture local geometry of static structures, and miss the correlated motions and alternative conformational states revealed by protein ensembles. Here we introduce Ensembits, the first tokenizer of protein conformational ensembles. Ensembits address challenges inherent to tokenizing dynamics: deriving informative geometric descriptors across conformations, permutation-invariance encoding of variable-size ensembles, and conquering sparsity in dynamics data. Trained with a Residual VQ-VAE using a frame distillation objective on a large molecular dynamics corpus, Ensembits outperforms all related methods on RMSF prediction, and is the strongest standalone structural tokenizer on an token-conditioned ANOVA test on per-residue motion amplitude. Ensembits further matches or exceeds static tokenizers on EC, GO, binding site/affinity prediction, and zero-shot mutation-effect prediction despite using far less pretraining data. Notably, the distillation objective enables Ensembits to predict dynamics token from one single predicted structure, which alleviates dynamics data sparsity. As the field moves from static structure prediction toward ensemble generation, Ensembits offer the discrete vocabulary needed to bring dynamics into protein language modeling and design.

Semidefinite programming (SDP) provides a principled framework for convex relaxations of nonconvex geometric constraints in motion planning, yet existing solvers are too computationally expensive for real-time control, particularly on resource-constrained embedded systems. To address this gap, we introduce TinySDP, the first semidefinite programming solver designed for embedded systems, enabling real-time model-predictive control (MPC) on microcontrollers for problems with nonconvex obstacle constraints. Our approach integrates positive-semidefinite cone projections into a cached-Riccati-based ADMM solver, leveraging computational structure for embedded tractability. We pair this solver with an a posteriori rank-1 certificate that converts relaxed solutions into explicit geometric guarantees at each timestep. On challenging benchmarks, e.g., cul-de-sac and dynamic obstacle avoidance scenarios that induce failures in local methods, TinySDP achieves collision-free navigation with up to 73% shorter paths than state-of-the-art baselines. We validate our approach on a Crazyflie quadrotor, demonstrating that semidefinite constraints can be enforced at real-time rates for agile embedded robotics.

Large language models (LLMs) are typically deployed with fixed parameters, and their performance is often improved by allocating more computation at inference time. While such test-time scaling can be effective, it cannot correct model misconceptions or adapt the model to the specific structure of an individual query. Test-time optimization addresses this limitation by enabling parameter updates during inference, but existing approaches either rely on external data or optimize generic self-supervised objectives that lack query-specific alignment. In this work, we propose Query-Conditioned Test-Time Self-Training (QueST), a framework that adapts model parameters during inference using supervision derived directly from the input query. Our key insight is that the input query itself encodes latent signals sufficient for constructing structurally related problem--solution pairs. Based on this, QueST generates such query-conditioned pairs and uses them as supervision for parameter-efficient fine-tuning at test time. The adapted model is then used to produce the final answer, enabling query-specific adaptation without any external data. Across seven mathematical reasoning benchmarks and the GPQA-Diamond scientific reasoning benchmark, QueST consistently outperforms strong test-time optimization baselines. These results demonstrate that query-conditioned self-training is an effective and practical paradigm for test-time adaptation in LLMs. Code is available at https://chssong.github.io/Query-Conditioned-TTST/.

The rapid evolution of Embodied AI has enabled Vision-Language-Action (VLA) models to excel in multimodal perception and task execution. However, applying Reinforcement Learning (RL) to these massive models in large-scale distributed environments faces severe systemic bottlenecks, primarily due to the resource conflict between high-fidelity physical simulation and the intensive VRAM/bandwidth demands of deep learning. This conflict often leaves overall throughput constrained by execution-phase inefficiencies. To address these challenges, we propose D-VLA, a high-concurrency, low-latency distributed RL framework for large-scale embodied foundation models. D-VLA introduces "Plane Decoupling," physically isolating high-frequency training data from low-frequency weight control to eliminate interference between simulation and optimization. We further design a four-thread asynchronous "Swimlane" pipeline, enabling full parallel overlap of sampling, inference, gradient computation, and parameter distribution. Additionally, a dual-pool VRAM management model and topology-aware replication resolve memory fragmentation and optimize communication efficiency. Experiments on benchmarks like LIBERO show that D-VLA significantly outperforms mainstream RL frameworks in throughput and sampling efficiency for billion-parameter VLA models. In trillion-parameter scalability tests, our framework maintains exceptional stability and linear speedup, providing a robust system for high-performance general-purpose embodied agents.

Sparse Mixture-of-Experts (MoE) models offer a powerful way to scale model size without increasing compute, as per-token FLOPs depend only on k active experts rather than the total pool of E experts. Yet, this asymmetry creates an MoE efficiency paradox in practice: adding more experts balloons memory and communication costs, making actual training inefficient. We argue that this bottleneck arises in part because current MoE training allocates too many experts from the beginning, even though early-stage data may not fully utilize such capacity. Motivated by this, we propose EMO, a simple progressive training framework that treats MoE capacity as expandable memory and grows the expert pool over the course of training. EMO explicitly models sparsity in scaling law to derive stage-wise compute-optimal token budgets for progressive expansion. Empirical results show that EMO matches the performance of a fixed-expert setup in large-scale experiments while improving wall-clock efficiency. It offers a surprisingly simple yet effective path to scalable MoE training, preserving the benefits of large expert pools while reducing both training time and GPU cost.

Multi-modal multi-agent systems (MM-MAS) have gained increasing attention for their capacity to enable complex reasoning and coordination across diverse modalities. As these systems continue to expand in scale and functionality, investigating their potential vulnerabilities has become increasingly important. However, existing studies on adversarial attacks in multi-agent systems primarily focus on isolated agents or unimodal settings, leaving the vulnerabilities of MM-MAS largely underexplored. To bridge this gap, we introduce HAM$^{3}$, a Hierarchical Attack framework for multi-modal multi-agent systems that decomposes attacks into three interconnected layers. Specifically, at the perception layer, HAM$^{3}$ mounts attacks by perturbing visual inputs, textual inputs, and their fused visual-textual representations. At the communication layer, it performs communication-level attacks that corrupt message content and interaction topology, such as manipulating shared context or communication links to distort collective information flow. At the reasoning layer, it conducts reasoning-level attacks that interfere with each agent's cognitive pipeline, biasing reasoning trajectories and ultimately compromising final decisions. We evaluate HAM$^{3}$ on the GQA benchmark through multi-agent systems built on distinct reasoning paradigms including ReAct, Plan-and-Solve, and Reflexion. Experiments demonstrate that our framework achieves an Attack Success Rate of up to 78.3%, with reasoning-layer attacks being the most effective. More than half of the successful attacks lead multiple agents to produce consistent errors. These findings offer valuable insights for building more robust and interpretable multi-agent intelligence.

Graph Neural Networks (GNNs) suffer from over-squashing in deep message passing, where information from exponentially growing neighborhoods is compressed into fixed-dimensional representations. We show that this issue becomes a distinct failure mode in multi-label graphs: neighboring nodes often share only limited labels while differing across many irrelevant ones, causing predictive signals to be diluted by noisy label information. To address this challenge, we propose the Multi-Label Graph Information Bottleneck (MLGIB), which formulates multi-label message passing as constrained information transmission under irrelevant label noise. MLGIB balances expressiveness and robustness by preserving predictive label signals while suppressing irrelevant noise. Specifically, it constructs a Markovian dependence space and derives tractable variational bounds, where the lower bound maximizes mutual information with target labels and the upper bound constrains redundant source information. These bounds lead to an end-to-end label-aware message-passing architecture. Extensive experiments on multiple benchmarks demonstrate consistent improvements over existing methods, validating the effectiveness and generality of the proposed framework.

Meta-learning has been shown to have better performance than supervised learning for few-shot monolingual spoken word classification. However, the meta-learning approach remains under-explored in multilingual spoken word classification. In this paper, we apply the Generative Meta-Continual Learning algorithm to spoken word classification. The generative nature of this algorithm makes it viable for use in application, and the meta-learning aspect promotes generalisation, which is crucial in a multilingual setting. We train monolingual models on English, German, French, and Catalan, a bilingual model on English and German, and a multilingual model on all four languages. We find that although the multilingual model performs best, the differences between model performance is unexpectedly low. We also find that the hours of unique data seen during training seems to be a stronger performance indicator than the number of languages included in the training data.

Most existing large language models (LLMs) are expensive to adapt after deployment, especially when a task requires newly produced information or niche domain knowledge. Recent work has shown that, by manipulating and optimizing their context, LLMs can be tailored to downstream tasks without updating their weights. However, most existing methods remain closed-loop, relying solely on the model's intrinsic knowledge. In this paper, we equip these context optimizers with Wikipedia search and browser tools for active information seeking. We show that naively adding these tools to a standard sequential context optimization pipeline can actually degrade performance compared to baselines. However, when paired with a search-based training procedure that maintains and prunes multiple candidate contexts, active information seeking delivers consistent and substantial gains. We demonstrate these improvements across diverse domains, including low-resource translation (Flores+), health scenarios (HealthBench), and reasoning-heavy tasks (LiveCodeBench and Humanity's Last Exam). Furthermore, our method proves to be data-efficient, robust across different hyperparameters, and capable of generating effective textual contexts that generalize well across different models.

Graph neural networks are widely used for node classification, but they remain vulnerable to out-of-distribution (OOD) shifts in node features and graph structure. Prior work established that methods trained with standard supervised learning (SL) objectives tend to capture spurious signals from either features and/or structure, leaving the model fragile under distributional changes. To address this, we propose TIDE, a novel and effective Tri-Component Information Decomposition framework that explicitly decomposes information into feature-specific, structure-specific and joint components. TIDE aims to preserve only the label-relevant part of the joint information while filtering out spurious feature- and structure-specific information, thereby enhancing the separation between in-distribution (ID) and OOD nodes. Beyond the framework, we provide theoretical and empirical analyses showing that an information bottleneck objective is preferable to standard SL for graph OOD detection, with higher ID confidence and a greater entropy gap between ID and OOD data. Extensive experiments across seven datasets confirm the efficacy of TIDE, achieving up to a 34% improvement in FPR95 over strong baselines while maintaining competitive ID accuracy.

Continual graph learning (CGL) aims to learn from dynamically evolving graphs while mitigating catastrophic forgetting. Existing CGL approaches typically adopt a task-based formulation, where the data stream is partitioned into a sequence of discrete tasks with pre-defined boundaries. However, such assumptions rarely hold in real-world environments, where data distributions evolve continuously and task identity is often unavailable. To better reflect realistic non-stationary environments, we revisit continual graph learning from a task-free perspective. We propose a unified formulation that models the data stream as a time-varying mixture of latent task distributions, enabling continuous modeling of distribution drift. Based on this formulation, we construct \emph{DRIFT}, a benchmark that spans a spectrum of transition dynamics ranging from hard task switches to smooth distributional drift through a Gaussian parameterization. We evaluate representative continual learning methods under this task-free setting and observe substantial performance degradation compared to traditional task-based protocols. Our findings indicate that many existing approaches implicitly rely on task boundary information and struggle under realistic task-free graph streams. This work highlights the importance of studying continual graph learning under realistic non-stationary conditions and provides a benchmark for future research in this direction. Our code is available at https://github.com/UConn-DSIS/DRIFT.

Do large language models internally encode ontological relations in a formally verifiable algebraic structure? We introduce Algebraic Ontology Projection (AOP), which projects LLM hidden states into the Galois Field F2 under Liskov Substitution Principle constraints, using only 42 relational pairs as algebraic keys. AOP achieves up to 93.33% zero-shot inclusion accuracy on unseen concept pairs (Gemma-2 Instruct with optimized prompt), with consistent 86.67% accuracy observed across multiple model families -- with no model tuning, but through prompt alone. This algebraic structure is strongly layer-dependent. We introduce Semantic Crystallisation (SC), a metric that quantifies F2 constraint satisfaction relative to a random baseline and predicts zero-shot accuracy without held-out data. System prompts act as algebraic boundary conditions: only their combination with instruction tuning prevents Late-layer Collapse -- a systematic degradation of logical consistency in the final layers, observed in 7 of 10 conditions. These findings reframe forward computation as an iterative process of algebraic organisation, and open a path toward LLMs whose logical structure is not merely approximated, but formally accessible.

The emergence of multi-agent systems introduces novel moderation challenges that extend beyond content filtering. Agents with malicious intent may contribute harmful content that appears benign to evade content-based moderation, while compromising the system through exploitative and malicious behavior manifested across their overall interaction patterns within the community. To address this, we introduce BOT-MOD (BOT-MODeration), a moderation framework that grounds detection in agent intent rather than traditional content level signals. BOT-MOD identifies the underlying intent by engaging with the target agent in a multi-turn exchange guided by Gibbs-based sampling over candidate intent hypotheses. This progressively narrows the space of plausible agent objectives to identify the underlying behavior. To evaluate our approach, we construct a dataset derived from Moltbook that encompasses diverse benign and malicious behaviors based on actual community structures, posts, and comments. Results demonstrate that BOT-MOD reliably identifies agent intent across a range of adversarial configurations, while maintaining a low false positive rate on benign behaviors. This work advances the foundation for scalable, intent-aware moderation of agents in open multi-agent environments.

Neuroscience data are highly fragmented across labs, formats, and experimental paradigms, and reuse often requires substantial manual effort. A persistent roadblock to data reuse and integration is the need to decipher bespoke and diverse data formatting choices. Common data formats have been proposed in response, but the field continues to struggle with a fundamental tension: formats flexible enough to accommodate diverse experiments are rarely descriptive enough to be self-explanatory, and sufficiently descriptive formats demand detailed documentation and curation effort that few labs can sustain. Agentic AI is a natural candidate to solve this problem: LLMs read code and text faster and with sustained attention to the low-level details humans tend to skim over. To measure how well agentic AI performs on this task, we selected eight recent papers studying large-scale mouse neural population recordings that shared both data and code, spanning diverse recording modalities, behavioral paradigms, and dataset formats (e.g., NWB, specialized APIs, and general-purpose Python or MATLAB files). We provided agents with the data, code, and paper, and prompted them to load, understand, and reformat the data for a common downstream task: training a decoder from neural activity to task or behavioral variables. General-purpose coding agents commonly used by scientists performed well on each sub-task, but rarely strung together a fully error-free end-to-end solution. We characterize the types of mistakes agents made and the dataset properties that elicited them, and propose data-sharing best practices for the agentic-AI era. We further find that agents-as-judges are unreliable at catching errors, especially without ground-truth references, so interactive, human-in-the-loop coding remains necessary.

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality ligand candidates, a result of the syntactic limitations of current models with regard to molecular strings. In this paper, we introduce $\texttt{ToolMol}$, an evolutionary agentic framework for de novo drug design. $\texttt{ToolMol}$ combines a multi-objective genetic algorithm with an agentic LLM operator that iteratively updates the ligand population. We build a comprehensive toolbox of RDKit-backed functions that allows our agentic operator to consisently make precise ligand modifications. $\texttt{ToolMol}$ achieves state-of-the-art performance on multi-objective property optimization tasks, discovering drug-like and synthesizable ligands that have $>10\%$ stronger predicted binding affinity compared to existing methods, evaluated on three protein targets. $\texttt{ToolMol}$ ligands additionally achieve state-of-the-art results in gold-standard Absolute Binding Free Energy scores, gaining over existing methods by over $35\%$. By studying chain-of-thought reasoning traces, we observe that tool-calling enables the model to more faithfully execute its planned modifications, efficiently exploiting the strong chemical prior knowledge in LLMs.

Runtime monitoring of autonomous systems traditionally relies on mapping continuous sensor observations to discrete logical propositions defined over low-dimensional state variables. This abstraction breaks down in perception-driven settings, where such mappings require additional learned modules that are often computationally expensive, brittle, and semantically misaligned. In this work, we propose Embedding Temporal Logic (ETL), a temporal logic that performs monitoring directly in learned embedding spaces. ETL defines predicates through distances between observed embeddings and target embeddings derived from reference observations. This formulation allows specifications to capture high-level perceptual concepts, such as similarity to visual goals or avoidance of semantic regions, that are difficult or impossible to express using traditional predicates. By composing these predicates with temporal operators, ETL naturally expresses temporally extended and sequential perceptual behaviors. We introduce ETL monitors for evaluating specifications over bounded embedding traces, along with a conformal calibration procedure that provides reliable and safety-oriented predicate evaluation. We evaluate our approach across multiple manipulation environments to show that ETL achieves strong empirical agreement with ground-truth semantics, including accurate monitoring of temporally composed behaviors.

Most work in audio enhancement targets human speech, while bioacoustics is less studied due to noisy recordings and the distinct traits of animal sounds. To fill this gap, we adapt speech enhancement methods and build BioSEN, a model made for bioacoustic signals. BioSEN has three modules: a multi-scale dual-axis attention unit for time-frequency feature extraction, a bio-harmonic multi-scale enhancement unit for capturing harmonic structures, and an energy-adaptive gating connection unit that uses frequency weights to keep vocalizations from being removed as noise. Tests on three bioacoustic datasets show that BioSEN matches or exceeds state-of-the-art speech enhancement models while using far less computation. These results show BioSEN's strength for bioacoustic audio enhancement and its promise for biodiversity monitoring and conservation.

Recently, a series of works have started studying variations of concepts from learning theory for product spaces, which can be collected under the name high-arity learning theory. In this work, we consider a high-arity variant of sample compression schemes and we prove that the existence of a high-arity sample compression scheme of non-trivial quality implies high-arity PAC learnability.

Training Neural Networks (NNs) without overfitting is difficult; detecting that overfitting is difficult as well. We present a novel Random Matrix Theory method that detects the onset of overfitting in deep learning models without access to train or test data. For each model layer, we randomize each weight matrix element-wise, $\mathbf{W} \to \mathbf{W}^{\mathrm{rand}}$, fit the randomized empirical spectral distribution with a Marchenko-Pastur distribution, and identify large outliers that violate self-averaging. We call these outliers Correlation Traps. During the onset of overfitting, which we call the "anti-grokking" phase in long-horizon grokking, Correlation Traps form and grow in number and scale as test accuracy decreases while train accuracy remains high. Traps may be benign or may harm generalization; we provide an empirical approach to distinguish between them by passing random data through the trained model and evaluating the JS divergence of output logits. Our findings show that anti-grokking is an additional grokking phase with high train accuracy and decreasing test accuracy, structurally distinct from pre-grokking through its Correlation Traps. More broadly, we find that some foundation-scale LLMs exhibit the same Correlation Traps, indicating potentially harmful overfitting.