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Embedding Consistent Recurrent Neural Networks in Finite Element Simulations for Path-Dependent Damage Prediction

arXiv:2611.08494v1 Announce Type: new Abstract: Capturing sheet-metal localisation physics with a trained surrogate inside a finite element (FEM) solver requires the surrogate to deliver consistent predictions irrespective of the solver's strain-increment count, which is difficult to control in non-linear explicit codes. We address this by re-implementing a trained recurrent neural network (RNN) damage criterion in Fortran and embed it as a live, increment-by-increment fracture criterion inside an Abaqus/Explicit user material subroutine (VUMAT), advancing the network state alongside the solver. Two architectures are compared: a SimpleRNN and the proposed Consistent RNN (ConsRNN), whose transition function is designed so that predictions converge as the strain path is refined rather than drifting with the increment count. Both are trained on bilinear strain paths and evaluated under varying temporal discretisations and nonlinear histories. SimpleRNN predictions drift as the increment count increases, which disqualifies it for embedding; ConsRNN converges under refinement, at a substantial fixed-resolution accuracy cost relative to SimpleRNN on multilinear paths. Deployed at structural scale, the embedded ConsRNN surrogate governs element deletion in a clamped steel plate and reaches the same peak force and peak displacement as an established two-parameter fracture criterion. This pre-peak agreement is expected by construction, since no element is deleted before the peak and the two runs therefore share an identical constitutive path; the responses diverge only on the post-peak softening branch. The results establish discretisation consistency as the decisive property for embedding recurrent surrogates in explicit FEM solvers, and report the first embedding of a customised, non-standard-transition recurrent cell at structural scale.

FinEvolveKG: Controlled and Attributable Prompt Evolution for Financial Knowledge Graph Construction

arXiv:2611.08643v1 Announce Type: new Abstract: Financial institutions construct knowledge graphs (KGs) from shared SEC 10-Ks to serve risk analysis, portfolio management, and investment research, whose analytical needs differ. Extraction must adapt without fragmenting shared grounding, typing, and temporal rules. Hand-authored persona prompts and fine-tuning add cost. Weight-free prompt optimization offers an alternative, but unconstrained evolution of a monolithic prompt can rewrite shared rules alongside persona guidance, obscuring changes and complicating review. We introduce FinEvolveKG, a KG-construction harness separating reusable general and persona-policy blocks and mechanically confining GEPA, a reflective prompt optimizer, to the designated block. During persona adaptation, the approved general block remains byte-stable and every optimizer edit is localized to a separately versioned persona policy. A dual objective balances generic temporal-KG quality with persona-relevant facts, motifs, and multi-hop connectivity. We evaluate five mutation scopes on ticker-disjoint 10-K splits, with three seeds for the persona-conditioned arms (v3-v5) across three personas. On the three-seed mean, the complete two-stage block-constrained workflow (v4) improves over the frozen prompt baseline (v1) by 19.4-30.9% and over the tested unconstrained full-prompt workflow (v5) by 2.2-6.4%, leading v5 on both objective components and winning all nine paired-seed comparisons with the lowest seed variance in every persona. Without further optimization, v4 also exceeds v5 across all evaluated out-of-distribution (OOD) shifts. An SME audit supports using the generated triplets as ground truth; a blinded two-SME audit favors v4 over v5 in 70.1% of contrast-enriched judgments. These results show that mechanically attributable evolution can coexist with strong empirical performance, without attributing the gains causally to the boundary.

Full Provenance on the COSS Causal Axis: An Event-Level Closure of Causal Attribution and Confused-Deputy Exclusion

arXiv:2611.07164v1 Announce Type: cross Abstract: Provenance Identity Continuity (PIC) represents an authority-use event as an operation/resource behavior situated in a causal lineage, $(o,r,\ell)\in O\times R\times L$. We make the causal occurrence itself primitive: a represented security-relevant causal graph $(E,\to_c)$ in which each occurrence has a unique causal history, so the consistent event-lineage space is canonically isomorphic to $E$. The modeled execution has one causal partial order; distinct lineages are distinct causal histories inside it and may share a root while diverging into incomparable branches. PIC's $O\times R\times L$ is the authority-behavior projection of this space, and Causally Ordered Security-State (COSS) continuity generalizes it to an arbitrary behavior product over the same causal execution. On this semantics we prove an architecture-independent confused-deputy exclusion theorem. PIC continuation requires $C(e')\subseteq C(e)$ on every ordinary causal edge, so descendants are bounded by their ancestors; at an ordinary join, authority available on only one incoming branch cannot be resurrected, even when branches share a common root. Non-conservative combination must be an explicit authorized composition or relaxation event. With protected-effect mediation, an effect caused by request $q$ through an ordinary authority segment can exercise only authority in $C(q)$, so a confused-deputy state is contradictory. The result holds for any system whose protected request-to-effect causes are faithfully represented and whose ordinary authority transport satisfies PIC. We revisit Rajani, Garg, and Rezk: their value, control-flow, and initial-heap attacks are different witnesses of causal ancestry, so full provenance is an evidence mechanism for recovering edges of the causal graph, not the foundation of the PIC theorem. Finally we lift it to the COSS product of heterogeneous security-state coordinates.

Householder Motion Embedding: Noise Modulation for Motion-Controllable Video Generation

arXiv:2611.07294v1 Announce Type: new Abstract: Diffusion models for video generation have achieved remarkable success, yet precise motion control under explicit user guidance remains challenging. Recent noise-warping methods introduce temporal correlations by warping the noise according to the user-provided motion signal. However, standard spatial warping generally disrupts the noise's i.i.d. Gaussian structure, requiring distribution correction, such as Jacobian-based correction, but at a substantial computational overhead. We propose Householder Motion Embedding (HME), which encodes the motion signal into the noise through a sequence of Householder reflections that together form an orthogonal transformation applied to each location's channel vector. HME exactly preserves the spatial Gaussian structure within each frame while introducing cross-frame correlations that promote temporally consistent video. HME is agnostic to the network architecture and integrates directly into standard video diffusion fine-tuning pipelines. Experiments on different scenarios show that HME matches or outperforms the state of the art, while achieving a 2.7x speedup over noise warping. These results demonstrate that channel-space Householder transformations offer a principled and efficient alternative to noise warping for motion-controllable video generation.

Information-Matched Auditing of Conversational Emotion-Shift Forecasting: A Leakage-Safe Evaluation Protocol

arXiv:2611.05895v1 Announce Type: new Abstract: Comparisons in conversational emotion-shift forecasting are easily distorted when a learned model receives rich features but its transition baseline is given a noisy or unavailable current-emotion label, when hyperparameter budgets differ, or when target-turn information enters the representation. We present an information-matched, leakage-safe auditing protocol that closes these gaps with an explicit commitment point, executable causality tests, equal four-configuration validation searches, and seed-dialogue-aware inference. Applying it to six causal model families on four text corpora and two feature-source sensitivity configurations shows that a deployable train-only current-emotion classifier feeding the transition baseline yields a different verdict than an oracle diagnostic where both sides receive gold current emotion. Under the deployable condition, learned models improve over the predicted-label baseline on all four primary corpora; DailyDialog gains are large and survive a 72-comparison Holm correction (best ROC-AUC gain = +0.167, adjusted p=.0144). Under matched gold information, the baseline remains competitive on IEMOCAP and stronger on MELD, while every model retains a large DailyDialog advantage. We additionally report precision-recall AUC, calibration, a strictly utterance-local feature control, same-person self-shift forecasting, and a future-access dose-response test. An eight-item leakage checklist accompanies the protocol. Code, raw seed predictions, and reporting artifacts are available from the corresponding author upon request.

PSGAgent: Enhancing MLLMs' Dynamic Visual Perception for Panoptic Scene Graph Generation via Agentic Reasoning

arXiv:2611.07408v1 Announce Type: new Abstract: Panoptic Scene Graph generation (PSG) requires holistic yet fine-grained reasoning over complex relations among objects. However, current Multimodal Large Language Models (MLLMs) applied to PSG suffer from a perception bottleneck: they function as static observers limited by fixed-resolution views. As a result, models often overlook critical relations involving small or peripheral objects and struggle to differentiate ambiguous predicates in complex scenes. To address these limitations, we propose PSGAgent, an agentic framework that enhances visual perception for PSG through a think-act-observe loop. PSGAgent allows MLLMs to dynamically refine their visual perception using two tools: a Region Zoom-In Tool for local exploration of small or boundary relations and a Visual Highlight Tool for relation-focused segmentation that filters out irrelevant contextual noise. To optimize decision-making, we construct a two-stage training pipeline. First, we create a high-quality, error-aware Multimodal Chain-of-Thought (M-CoT) dataset that provides robust supervision for cold-start learning. Then, we design a novel hierarchical reward mechanism integrated with Group Sequence Policy Optimization (GSPO) to enable strategic and adaptive tool usage. Extensive experiments on the PSG benchmark show that PSGAgent achieves SOTA performance, demonstrating strong capability in both holistic and fine-grained scene understanding.

Synthesizing symbolic models of human and machine reasoning at scale

arXiv:2611.07088v1 Announce Type: new Abstract: Symbolic models offer a powerful account of cognition, but their scope has historically been limited by the need for hand-engineering and computational tractability. We show how advances in artificial intelligence (AI) can scale symbolic modeling and help overcome these engineering limitations. We introduce Behavior-Conditioned Symbolic Synthesis (BCSS)---an approach for automated search of interpretable, deterministic symbolic programs that verifiably reproduce behavior---and apply it to model both human and machine behavior across hundreds of challenging reasoning problems. Analyzing these programs reveals that both people and machines tend to oversimplify, adopt rules that are partial explanations for their observations, and misinfer dependencies between problem features. These shared signatures are modulated by available resources, with reasoning effort predicting the extent to which machines simplify and explain their observations. Together, these results point to underlying mechanisms reminiscent of satisficing in both people and machines, and illustrate how BCSS offers a general approach for interpreting and comparing rule-based reasoning of humans and black-box AI systems.

Trust Responsive Runtime Authorization for Agentic AI with Empirical Characterization of Policy Behavior and Parameter Sensitivity

arXiv:2611.06996v1 Announce Type: new Abstract: The policy that converts runtime estimates of an autonomous agent's condition into operational authority is rarely specified or measured. We empirically characterize the Trust Responsive Authorization Policy (TRAP), which maps an Authorization Readiness Score (ARS), a weighted combination of runtime trust, operational stability, and contextual risk, onto discrete authorization levels through an asymmetric rule: escalation requires consecutive observations above a band edge plus a margin, while a sharp drop in readiness restricts authority at once. On one matched set of 100 Monte Carlo traces, we compare TRAP with static, trust-only, risk-only, and symmetric policies. Under abrupt degradation, TRAP restricts at onset and re-escalates sooner after recovery than the symmetric policy, with the highest and, descriptively, least variable stability among the adaptive policies, although more of its post-recovery escalations occur below the selected trust threshold. Paired bootstrap intervals exclude zero for the remaining differences. In one-factor sweeps, recovery time rises with the escalation margin and run length, shifts with the score weights, and is unchanged by the restriction threshold. In an exploratory post-freeze experiment, when the same degradation is spread over 5-20 intervals, TRAP restricts only on the 4 traces that retain a single-interval drop above that threshold; averaged over all 100 traces, it holds authority above what readiness supports for 15.9-18.9 of the 20 degradation intervals, against 0.8 under abrupt degradation and about 10 for the symmetric policy. Its restriction advantage therefore depends on degradation being abrupt. All reported values are traceable to the publicly available, versioned research release.

A Controlled Experimental Evaluation of Configuration and Cache Architecture in LLM Serving Engines

arXiv:2611.05991v1 Announce Type: new Abstract: Multi-agent LLM applications repeat most of their prompt tokens across requests, and serving engines reuse the cached state of shared prefixes. vLLM and SGLang reuse it at different granularities, and benchmarks of their default deployments report large performance gaps, usually credited to the cache. Such comparisons rarely control for other configuration differences. One of them, whether a long prompt is prefilled in chunks, is set by each engine's defaults from the hardware and the release, and it confounds the comparison. We built a reproducible testbed on Kubernetes and a seeded multi-agent workload generator, and compared the two engines under vendor defaults and with chunked prefill matched. SGLang's configuration is the same in both arms, which makes it an internal control across independently provisioned deployments. Under defaults, vLLM's median time to first token is up to 64x SGLang's. Matching one setting removes 78% of the capacity gap where that gap is largest and 30 to 67% of the latency gap. Near saturation the remaining latency gap reflects queue growth. A fluid queue model driven only by a 4.4% throughput shortfall reproduces it, and shows that such a gap scales with the length of the benchmark run. What survives matching is a tail-latency advantage of 2.4 to 6.4x at equal throughput, consistent with cache-aware ordering of waiting requests. We derive six recommendations for comparing serving engines.

A Feasibility Condition for Confidence-Gated Tiered LLM Inference

arXiv:2611.05394v1 Announce Type: new Abstract: Tiered inference distributes large language model computation across a hierarchy of devices, from on-device and edge hardware to the datacenter, and is increasingly offered as the route to cheaper, lower-latency, and more private serving. Most such systems orchestrate frozen model checkpoints, and most decide what to resolve locally and what to escalate using a confidence signal produced by a forward-deployed model. We give a closed-form condition for when no threshold on that signal makes a tiered cascade worthwhile relative to sending every query to the backstop. Modeling the routing decision as a binary test and separating local from escalation cost through an architecture cost ratio $\kappa$, we derive a feasibility condition bracketed by a signal-free floor, below which a cascade is feasible at any signal quality, and a perfect-signal ceiling, above which none is. Read along the $\kappa$ axis the condition inverts: where local compute is billed, cost binds, matching a recent empirical finding; where it is sunk, on decentralized hardware, feasibility becomes unconditional and signal quality instead sets what the cascade achieves. We turn the condition into three design requirements that existing trained-in primitives satisfy only in isolation, and we propose, as future work, a co-designed architecture and a protocol to test it. The condition and the inversion hold independently of that architecture; they are the paper's contribution.

Ab Initio Accuracy Beyond the Cutoff: Distributed Message-Passing Equivariant Attention at Tens-of-Millions-of-Atom Scale

arXiv:2611.06122v1 Announce Type: new Abstract: Molecular dynamics predicts molecular motion from atomic forces and trajectory integration. Density functional theory (DFT) provides first-principles forces, but its $O(N^3)$ cost limits simulations to thousands of atoms; empirical force fields scale to millions but miss bond breaking and charge transfer. Equivariant message-passing Transformers learn the ab initio potential at linear cost. Stacked layers propagate information beyond a single cutoff, giving four layers a receptive field up to 23{\AA}. At this frontier, scale is limited by communication: layers exchange boundary features across devices, force backpropagation repeats the exchange, and moving atoms change neighbor graphs and tensor shapes. We present Tessera, a distributed runtime that fixes workload shapes between rebuilds. It sorts atoms along a space-filling curve into equal-count shards, ensuring identical atom counts and tensor shapes per rank. Peer sets scale as $K^{0.5}$, not $K$. A conservative neighbor skin preserves topology across updates, enabling each rebuild interval to replay as one CUDA Graph. Fused kernels, three-level neighbor search, and overlapped All-to-All complete it. On 512 GPUs, Tessera sustains 30.7M atoms at 89.7% weak-scaling efficiency (77--90% across three per-GPU loads); per-step time rises 1.11--1.29x as machine and problem grow 16x. Graph reuse cuts full-step time $1.87\times$. Across an $8\times$ device increase, neighbor-search cost grows $1.7\times$, versus $3.0\times$ for Morton order. In a live $10.24$M-atom salt solution, NVE energy drift is $0.42\,\mu$eV/atom/ps over $10$ ps, and structure matches a serial reference. A 10.06M-atom Norovirus capsid sustains 100 ps of NVT at $\approx 8$ ps/day on 256 A100 GPUs. Over 200,000 steps, it has no broken bonds or anomalously close pairs and uses three compiled variants, with no graph breaks or eager fallbacks.

Augmentation with Reinforcement Transformation for Low-textured Scientific Sketch Image Retrieval

arXiv:2611.05408v1 Announce Type: new Abstract: Low-textured sketch images are widely used in scientific applications, including wildlife conservation, archaeological illustration, and forensic composites. Learning from and retrieving such images is challenging because they lack detailed surface textures and visual variations commonly exploited by modern deep learning models. This paper proposes Augmentation with Reinforcement Transformation (ART) to fine-tune pretrained models to learn effective representations for accurate sketch image retrieval. Our key observation is that sketches are particularly sensitive to image transformations, such as rotation, flipping, zooming, and stretching. While some transformations preserve their structural integrity, others may introduce distortions that hinder representation learning. Instead of randomly choosing transformations to construct fine-tuning views, ART formulates augmentation selection as a multi-armed bandit (MAB) problem, where transformations are treated as arms and their effectiveness is continuously evaluated through rewards. This enables ART to adaptively construct reward-guided view banks before self-supervised fine-tuning; the subsequent representation loss does not feed back to ART. On Florida manatee sketches provided by Mote Marine Laboratory, ART achieves 71.40% average Top-1 accuracy for transformed-scar retrieval, compared with 68.83% for random augmentation selection, and 55.84% for location-aware sketch retrieval, compared with 18.18% for frozen CLIP.

Cognitive Bias Signatures in Search-Equipped LLM Agents: A Stage-Resolved Analysis

arXiv:2611.05720v1 Announce Type: new Abstract: Search can help LLM agents correct mistakes, but their starting conditions may shape which evidence they find and use. Drawing on cognitive-bias paradigms, we develop a controlled search harness to examine result order, records of prior work, and initial hypotheses while holding each question and document collection fixed. Matched controls distinguish order effects from differences in document composition and the effects of failed work from context length. Across 10 models and 1,000 synthetic search worlds, we track queries, retrieved documents, document openings, and final answers. Our comparisons suggest that final answers are more sensitive to initial evidence order during active search than when all evidence is supplied in full. Dead-end histories can reduce strategy switching relative to matched neutral histories, indicating an effect beyond context length. Under wrong hypotheses, stage measurements distinguish reduced retrieval or opening from errors that persist after counter-evidence is opened. Exploratory interventions show that opening counter-evidence more often can coincide with lower accuracy, while accuracy can improve with little change in opening.

Discarded or Unreachable? Diagnosing and Repairing Spatial Relation Failure in Vision--Language Similarity

arXiv:2611.05565v1 Announce Type: new Abstract: Contrastive vision-language models score left/right relations near chance, but the symptom has two causes that call for opposite repairs: the relation may survive in the pooled embedding yet be unreachable by native image-text similarity, or pooling may discard it while the dense features retain it. On clean two object photographs, across ten encoders, the lateral polarity is linearly decodable from the flip odd component of the pooled vector at 0.77-0.99, yet a search over a million captions leaves nine of the ten at chance under native scoring: an access failure. On controlled C4 orbits, where the relation is the only thing that varies, pooling keeps the arrangement axis at 0.998-1.000 and loses its polarity, which the patch grid retains: a pooling failure. Both sit downstream of the dense features, so one readout covers both. Our zero parameter, query conditioned spatial moment recomputes the geometry from the patch grid and stores it as a vector beside the native embedding. On a 118,287 image index it raises left/right pairwise accuracy against reversed geometry negatives from 0.51-0.53 to 0.81-0.96 and conditional R@1 among 21 category matched candidates from 0.05 to 0.37-0.75, at under a millisecond per batched query, while reproducing the native ranking exactly for queries that name no relation.

Structured Priors: Towards an algebra of component priors for prior-data fitted networks

arXiv:2611.04056v1 Announce Type: new Abstract: Prior-data fitted networks are typically trained using synthetic data generated by a single, manually constructed generator. In cases where such a generator combines multiple components, e.g., in TabPFN, Mitra, or TabICLv2, this is achieved through a mixture using manually specified weights, the impact of which on the network only becomes apparent after pre-training. Instead of such a hand-built generator, this work proposes a structured prior: a small set of named component priors, linked by operators whose algebraic properties are formally proven and whose influence on the trained network has been validated. Within a measure-theoretic framework, the operators of mixture, convolution, amplitude scaling, local transform, and projection are defined. Their governing laws are proven. These operators are implemented in the macl2l software package. Experiments demonstrate that the implemented generators reproduce the identities within the resolution of a permutation test. Furthermore, it is shown that trained networks obey the distributive law; that a mixed prior composed of small components performs as well as or better than any individual component in seven out of eight open regression benchmarks; and that on two of these tables a structured prior reaches, with a ninth of the data budget, an error that a generic random-function prior does not reach even with the full budget. A theorem on model averaging demonstrates that networks trained on individual components constitute the Bayes predictor for the mixture, provided that the component networks are themselves the Bayes predictors for their respective priors. However, the pre-registered test of this averaged predictor with trained component networks failed, because the networks identify the generating component too rarely. The paper proposes a research program focused on the algebra of structured priors for prior-data fitted networks.

TB-Transolver: Parallelized and Coherent Long-Horizon Rollouts via Temporal Bundling for Time-Dependent PDEs

arXiv:2611.04063v1 Announce Type: new Abstract: Transolver has recently gained widespread adoption for solving diverse physical problems on unstructured geometric meshes by leveraging its Physics-Attention mechanism, which seamlessly extends standard softmax attention to handle physical domains at scale. For time-dependent problems, existing literature relies on time-conditioned or autoregressive rollouts to preserve temporal causality while retaining Physics-Attention as the spatial backbone. However, a fundamental limitation of this formulation is its sequential execution model, wherein computational costs scale linearly with the temporal horizon, rendering standard Transolver inefficient for transient problems despite its exceptional spatial efficacy. This bottleneck has historically hindered its broader application in time-dependent physical modeling. To address this limitation, we introduce TB-Transolver (also referred to as Temporally Bundled Transolver), an efficient framework built on temporal bundling that scales Transolver for time-dependent PDEs. Furthermore, we propose \emph{spatiotemporal coherence} (${\rm C(K)}$) as a general metric to systematically quantify snapshot correlation within a temporal bundle, enabling the \emph{a priori} selection of optimal bundle widths using training data alone, thereby avoiding expensive grid searches. We demonstrate the computational efficacy of TB-Transolver across four physically distinct domains, namely, plasticity, fluid dynamics, reaction-diffusion, and global weather forecasting; achieving training speedups of up to $29\times$ over conventional autoregressive and time-conditioned baselines. Finally, these computational gains are further amplified through distributed multi-node and multi-GPU parallelism, yielding aggregated speedups of up to $45.6\times$ at optimal bundle widths for systems exhibiting high spatiotemporal coherence compared to single-GPU implementations.

Towards Efficient Whole Page Ranking with One-Pass Inference

arXiv:2611.05542v1 Announce Type: new Abstract: Whole-page ranking jointly optimizes advertisements and organic content to balance business outcomes and user engagement under complex layout and business constraints. Existing non-autoregressive (NAR) approaches enable efficient page generation but typically score candidate items independently of previously selected items, limiting their ability to capture order-dependent interactions. Autoregressive (AR) methods address this limitation through sequential conditioning, but incur substantial inference overhead that challenges large-scale deployment. Bridging this quality-efficiency gap remains a challenge in industrial whole-page ranking. We propose Multi-Item Scoring (MIS), a prefix-aware NAR-style framework that incorporates sequential context into efficient multi-item scoring. MIS integrates global candidate interactions, localized prefix conditioning, and position-aware scoring within a shared representation architecture. By computing reusable representations once per request and performing lightweight prefix-conditioned scoring during constrained beam search, MIS captures important sequential dependencies without repeated full-model inference. Experiments on KuaiRand-1K and RL4RS demonstrate that MIS approaches the generation quality of an autoregressive CGA baseline while achieving 4.07x and 3.54x faster CPU decoding, respectively. In a randomized evaluation on a large-scale social-video platform, MIS improves the realization metric by 0.104% and watch time by 0.058%, while reducing ranking-service CPU consumption by 9.73%. These results demonstrate that prefix-aware multi-item scoring can narrow the quality gap between NAR and AR generation while retaining the efficiency required for industrial scalability.

Uncertainty-Aware Resource Orchestration for Agentic AI Systems

arXiv:2611.05392v1 Announce Type: new Abstract: Agentic artificial intelligence (AI) systems powered by large language models (LLMs) execute as autonomous multi-step pipelines that dynamically invoke tools, integrate observations into memory, and iterate until a task is resolved or a resource budget is exhausted. Unlike classical workflows with fixed graphs, the aggregate compute, bandwidth, and end-to-end latency demands of such pipelines are unknown at dispatch time: they emerge at runtime from intermediate observations and stochastic token sampling, yielding heavy-tailed, multi-modal random variables. This unpredictability forces infrastructure orchestrators into a dilemma: under-provisioning risks mid-execution throttling and deadline violations, while over-provisioning wastes scarce edge or cloud capacity. Existing schedulers require a fully known pipeline graph, while edge resource-management methods rely on parametric or stationary demand models, and neither fits the unknown, non-stationary profiles of agentic pipelines. We formalize this setting as the uncertainty-aware agentic orchestration problem, where the goal is to reserve, at dispatch time, compute and bandwidth allocations that cover actual pipeline demands, and to verify that the pipeline can meet its deadline, each with a prescribed probability. We then propose Conformal Reservation for Orchestration (CRO), an online algorithm that translates a sliding window of past execution traces into dispatch-time resource allocations with finite-sample, distribution-free coverage guarantees via conformal prediction. Simulations over heterogeneous task mixes with multi-modal and heavy-tailed profiles show that CRO is the only evaluated method that simultaneously satisfies target probabilistic coverage across all risk levels while, among coverage-feasible methods, attaining the lowest over-reservation, roughly halving the resource waste of the Chebyshev-bound baseline.

Do We Still Need Rotation-Invariant Architectures? A Statistical Robustness Benchmark for Point Cloud Classification

arXiv:2611.03952v1 Announce Type: new Abstract: A substantial line of work builds rotation invariance directly into point cloud architectures. We benchmark 10 architectures (PointNet, PointNet++, DGCNN, RIConv, RIConv++, RISurConv, PointMLP, PointTransformer, and the equivariant VN-PointNet and VN-DGCNN) across 5 domains under pose, noise, and occlusion, and analyze the results with confirmatory hypothesis tests rather than point estimates. The three rotation-invariant (RI) architectures achieve the best pose robustness but rank among the lowest on noise robustness in 4 of 5 domains. We ask whether this cost is intrinsic to invariance or specific to how invariance is obtained. We retrain all 10 architectures unchanged, with a simple invariance loss on the embedding and three training seeds each, and evaluate all models on the independently designed ModelNet40-C. Invariance training transfers narrowly but reliably. It improves exactly the corruption families its perturbations target wherever the baseline has headroom (mean occlusion +10.5, lidar +13.4 percentage points of accuracy). At matched training budget the best standard backbone and the best RI architecture end on par on unseen corruptions (within 2.5 percentage points in every seed), and invariance-trained RIConv++ is the most seed-stable top model. Once rotation augmentation is widened, standard backbones concede only a flat, angle-independent accuracy offset under full-sphere rotation. We release the benchmark along with a package for analyzing point cloud robustness and reproducing our results.

El Agente F\'armaco: A Scalable AI Scientist for Drug Discovery

arXiv:2611.03832v1 Announce Type: new Abstract: Computational drug discovery offers a growing range of tools for proposing and evaluating molecules, but combining them and deciding what to do next still requires substantial expert effort. Here, we introduce El Agente F\'armaco, an AI scientist that uses modern large language model (LLM) technology to turn discovery goals expressed in everyday language into complex, scalable computational screening workflows. The agentic harness selects scientific tools, reviews their results, and adjusts subsequent steps to the target and the user's objectives. Our approach centers on a shared scientific memory: F\'armaco Atlas, which stores molecules, structures, and results together with their provenance -- a record of how they were obtained. The agent uses targeted database queries to retrieve the evidence needed for each decision. A single request can launch calculations for an entire collection of molecules, without requiring a separate LLM decision for every compound. This design limits the information the model must process as screening collections grow, while keeping the underlying results available for inspection and further analysis. The integrated tools support molecule generation, prediction of binding and molecular properties, and searches for compounds available for purchase. In a retrospective comparison with an expert-led campaign, the agent proposed chemically distinct candidates with competitive docking scores and higher calculated drug-likeness under explicitly imposed selection criteria. In a 22-task benchmark against plain tool calls and Codex, the agent achieved the highest observed mean model-judged score, with lower median cumulative token use and peak context. F\'armaco provides a foundation for flexible, scalable drug discovery workflows that connect scientific reasoning with an enduring, traceable record of computational work.