Designing RNA sequences that satisfy target tertiary-structure objectives is an important problem in RNA engineering, with broad applications in synthetic biology and therapeutics. Existing 3D RNA design methods have made substantial progress, but they largely treat the target fold as a geometry-only objective. This is incomplete for RNA, whose functional folds are specified not only by tertiary geometry but also by secondary base-pairing topology. We therefore formulate RNA inverse design as a topology-and-geometry co-design problem and propose TANGO, a multi-objective multi-agent reinforcement learning framework for this task. TANGO adopts a staged curriculum: it first learns a topology-aware policy from secondary-structure targets, then transfers this policy to tertiary-structure targets to train a general co-design model, and finally applies frontier-guided fine-tuning to refine target-specific trade-offs among secondary-structure fidelity, tertiary-structure fidelity, and sequence diversity. Experiments show that TANGO generates diverse and novel designs, improving tertiary- and secondary-structure performance by 18.3% and 52.7%, respectively, over the strongest baseline.

Neural partial differential equation (PDE) surrogates trained with mean squared error (MSE) can capture dominant dynamics but often lose high-frequency information and fine-scale structures. Generative models (e.g., Flow Matching) can capture the distribution of fine-scale details, yet stochastic errors may accumulate during autoregressive rollouts and compromise long-term stability. To address these limitations, we introduce Refine and Align(ReAl), a model-agnostic plug-in that augments pretrained PDE surrogates to improve the reconstruction of high-frequency structures associated with complex physical phenomena. In the refinement stage, a conditional flow-matching model learns the residual distribution around the deterministic base prediction, recovering missing fine-scale structures while retaining the dominant dynamics. In the alignment stage, to mitigate the generative discrepancies amplified in the autoregressive rollout, particularly in chaotic systems, we generate multiple trajectories from the same input and reinforce the refiner with trajectory-level rewards, thereby achieving long-horizon dynamical alignment. Experiments across diverse surrogate architectures and PDE tasks demonstrate that ReAl consistently improves high-frequency fidelity, forecasting accuracy, and long-horizon stability.

Integrated Sensing and Communication (ISAC) systems rely on accurate Direction-of-Arrival (DoA) estimation for effective beamforming and spectral-efficiency enhancement. While numerous classical and deep-learning-based DoA estimation methods have been reported in the literature, their suitability for real-time ISAC operation remains insufficiently understood because practical deployment requires consideration of both estimation accuracy and computational latency. This paper presents a unified evaluation framework for systematically comparing classical and learning-based DoA estimators within an ISAC beamforming pipeline. Representative classical and learning-based DoA estimators, together with an ensemble architecture, are integrated with Singular Value Decomposition (SVD)-based beamforming and evaluated under identical operating conditions. The impact of DoA estimation accuracy, inference latency, beamforming-weight generation time, and resulting effective spectral efficiency is investigated. Results show that different estimators occupy distinct operating points in the accuracy-latency-performance design space. Although learning-based approaches substantially reduce estimation time compared with MUSIC, the overall processing latency increasingly becomes dominated by the computational cost of SVD-based beamforming. Among the evaluated methods, the Regression Convolutional Neural Network (RCNN) exhibits a favorable balance between estimation accuracy, computational efficiency, and beamforming performance, making it a promising candidate for real-time ISAC deployment. The findings further suggest that future low-latency ISAC systems may benefit from beamforming strategies that reduce or avoid computationally intensive SVD-based beamforming-weight generation.

Neural operators learn mappings between function spaces, enabling fast surrogate solutions to partial differential equations. Despite remarkable architectural diversity, these methods often share a common input representation: raw coordinate-value pairs $(x, u(x))$. We ask whether inputs aligned with PDE differential structure can improve learning. Through Picard iteration on mild solutions, we show that derivatives of the input appear explicitly in the solution operator, suggesting that providing derivative features should reduce the network's implicit differentiation burden. We prove this intuition: providing derivative features improves approximation bounds from $O(W^{-(s-m)/d})$ to $O(W^{-s/d})$, where $W$ is parameter count, $s$ is input regularity, $m$ is the PDE order, and $d$ is spatial dimension. Our central finding, however, is a surprise: the optimal derivative order $\beta^*$ is strictly less than the PDE order $m$. This gap arises from a bias-variance tradeoff in spectral space that we characterize in closed form. Learning $\beta$ from data achieves automatic spectral regularization. We introduce $\partial$-NO (del-NO), for derivative-augmented neural operators, an architecture-agnostic augmentation that provides learnable fractional derivative features to any neural operator backbone. Across benchmark problems and architectures, $\partial$-NO consistently improves prediction accuracy, with learned orders that reflect a representation of known physics modulated by noise and finite-sample constraints.

Reinforcement-learning policies for robot locomotion can fail at deployment when operating conditions shift (e.g., rough or slippery terrain, payload changes, sensing degradation), and retraining or manual recalibration is often infeasible under on-device latency and memory constraints. We study test-time adaptation (TTA) for robotic control: adapting a pretrained policy online and in a self-supervised manner during execution, without access to rewards. Our starting point is a lightweight baseline that updates only the actor using a frozen pretrained critic as a deployment-time performance surrogate. Building on this, we introduce TEMPO, a test-time entropy-regularized, memory-guided policy optimization method that stabilizes critic-driven updates under severe shift. TEMPO combines (i) an entropy-promoting regularizer on the critic's predictive distribution to mitigate overconfident extrapolation, and (ii) a score-based memory, inspired by prioritized replay, that prioritizes low-value ("hard") observations and applies importance sampling to focus limited computation on the most informative deployment conditions. Across Go1, Go2, and G1 in MuJoCo Playground under four representative shifts and multiple architectures, TEMPO yields consistent gains, reaching up to 80% improvement in a single-device setting. We further validate on a physical Unitree Go2 with an added calf payload, where fully on-device adaptation improves performance over the non-adapted baseline across real-world episodes.

Relational deep learning has emerged as a powerful paradigm for learning end-to-end predictive models over relational databases by representing them as temporal heterogeneous graphs. Recent advances based on graph neural networks and Transformers have achieved strong performance across diverse domains. However, the effectiveness of simpler relational baselines remains underexplored, making it difficult to assess how much architectural complexity is needed to achieve strong predictive performance. Motivated by the observation that predictive signals arise from target attributes, relational attributes, and historical labels, we revisit how effectively these signals can be exploited using simple propagation methods. We adapt fixed low-pass feature propagation to relational entity graphs and train an MLP for prediction. The resulting predictions are further refined using Correct-and-Smooth, a graph-based label propagation algorithm that incorporates historical labels over task-specific meta-graphs connecting target entities. Across classification and regression tasks on RelBench, an MLP trained on neighborhood-filtered features outperforms one using only target-entity features on most tasks and recovers a substantial portion of the performance of heterogeneous GNNs. Correct-and-Smooth provides further gains from historical labels, although applying it requires a separately constructed meta-graph because connections among target entities are not directly specified by the relational entity graph. Together, our studies revisit the effectiveness of established propagation methods as simple RDL baselines while identifying canonical meta-graph construction as a key challenge for effective label propagation.

Homogeneous turbulent flows exhibit recurring multiscale structures across spatially separated regions, suggesting that a single flow realization may contain sufficient information to learn representations of unresolved scales. We investigate this hypothesis through an extreme super-resolution framework in which a wide-activation deep super-resolution (WDSR) network is trained exclusively on overlapping patches extracted from a single high-resolution turbulent realization. Previously unseen flow fields are reconstructed through patchwise prediction followed by Hann-window-weighted overlap-add assembly. The framework is evaluated for two-dimensional homogeneous isotropic turbulence at super-resolution factors of x32 and x64, representing severe spatial under-resolution. Despite the limited training data, the proposed approach reconstructs coherent vortical structures and recovers fine-scale features more accurately than conventional interpolation. Spectral and statistical analyses further demonstrate improved recovery of high-wavenumber energy content and multiscale flow characteristics. To assess the effectiveness of exploiting internal spatial information, we compare the proposed framework against WDSR models trained on 1, 25, 50, and 100 complete high-resolution snapshots without patch extraction. This comparison distinguishes the benefits of localized learning from those associated with increasing the number of training realizations. The results demonstrate that exploiting spatial redundancy within a single turbulent realization enables accurate reconstruction of previously unseen flow fields, even under extreme spatial under-resolution. These findings establish single-realization patch-based learning as a promising data-efficient approach for turbulent super-resolution when high-resolution training data are scarce.

Head-related transfer function (HRTF) spatial upsampling from sparse measurements is a fundamental challenge in personalized binaural audio. We formulate HRTF upsampling as an operator learning problem and introduce SPARO, a neural operator that maps sparse measurements at a set of spatial directions to the HRTF field, a continuous representation that can be queried at arbitrary positions. SPARO projects the measurements onto a learned set of spherical latent modes, processes the latent modes with Transformer blocks, and decodes the resulting representations at query directions. On SONICOM, using the LAP24 measurement configuration, SPARO attains the best log-spectral distortion (LSD) and interaural level difference (ILD) error at every sparsity level from 3 to 100 measurements (18% lower LSD and 43% lower ILD error than the strongest baseline at 100 measurements) while remaining competitive in interaural time difference (ITD) error. It reconstructs a dense HRTF 15 to 373 times faster than the leading neural-field method RANF. We further validate the approach on HUTUBS, demonstrating its effectiveness across HRTF datasets.

Learnable downsampling and spectral-domain filter parameterizations have each made convolutional networks more flexible, but their interaction has not been systematically examined. We bridge this gap by examining convolutional kernels learned in the spatial and spectral domains, together with learned downsampling ratios under a cropped resizing implementation. We find that spectral and spatial kernels respond differently to learned resolution allocation, with larger gains for the spectral kernel. We observe this consistently on three datasets (EuroSAT, CIFAR-10 and STL-10) and at two model sizes (differences in accuracy gain of +0.013 to +0.028 on held-out test sets). Part of this difference reflects the greater gain of the spectral kernel from retaining more spatial area, but the difference remains positive when total retained area is matched. This pattern is observed across datasets and model sizes, although its magnitude and dependence on the complexity budget vary with model size and the resizing implementation.

Transformer-based tabular foundation models (TFMs) achieve state-of-the-art performance on small to medium-sized tabular prediction tasks while processing diverse inputs through a shared stack of layers. Recent layerwise analyses identify strong predictive performance in early TFM representations and substantial overlap in computation across layers. However, early predictive accessibility alone does not establish whether later layers are dispensable for every input, and aggregate accuracy can obscure which inputs benefit from additional computation. We study all 24 in-context-learning layers of TabPFN-3 across 272 classification datasets, combining representation geometry, prediction trajectories, truncation, and structural interventions, while also examining related representation dynamics in four additional TFMs. We uncover a pronounced expansion-compression trajectory, with stronger late dimensional contraction associated with larger increases in class-prototype separation. A targeted analysis of early-stabilizing samples shows that substantial representational changes persist after predicted classes stabilize, while locally ambiguous queries obtain larger accuracy gains from shallow to late layers than well-separated queries. Repeating a single pretrained block or perturbing layer order reduces predictive performance on average, constraining simple post-hoc substitutions in the frozen model. These findings distinguish predictive accessibility, class stability, and the benefits of continuing computation, supporting an input-dependent assessment of depthwise redundancy in TFMs.

In sectors such as energy, aquaculture and chemical processing, the effectiveness of both mechanistic and data-driven models is frequently limited by poor-quality training data, which obscures underlying physical laws and degrades predictive accuracy. Such quality issues commonly manifest as anomalies in the dataset, ranging from sensor faults to process upsets and incorrect operator inputs. While traditional rule-based filtering can remove a subset of the anomalies, it is unable to leverage contextual information stored as unstructured text, such as engineer comments and operational logs that explain under what conditions the data was collected. We propose a text-informed data filtering method that leverages large language models (LLMs) to integrate unstructured operational data with tabular sensor data. The method consists of two steps: (1) contextual anomaly detection by reasoning over both data modalities, and (2) generation of a binary mask that is applied to filter the training dataset for model development. To investigate the potential benefit, a steady-state soft-sensor regression model, namely a virtual flow meter that estimates well flow rates, is used as the downstream evaluation target. Experiments on a synthetic oil and gas dataset show improved model performance compared to traditional rule-based filtering. Ablation studies show that textual operator comments can provide filtering-relevant signals beyond sensor data alone, with the multimodal approach reducing downstream MAPE from 7.1% to 5.4% relative to sensor-only filtering. This work demonstrates that integrating unstructured operational knowledge with sensor data through LLMs can improve data quality for industrial machine learning applications, offering a scalable alternative to manual data curation.

Adversarial robustness distillation typically treats a robust teacher as a fixed knowledge source and transfers robustness to a compact student in a one-way manner. This paradigm terminates teacher-student interaction once the student is distilled, thereby discarding potentially useful feedback from the distilled student. However, exploiting such feedback is nontrivial because indiscriminate weak-to-strong transfer may propagate student errors to the teacher. To address this issue, we propose Cyclic Adversarial Robustness Distillation (CARD), a closed-loop framework that turns the distilled student into a feedback source for refining the robust teacher and subsequently transfers the teacher gains back to the same student. CARD first performs strong-to-weak adversarial distillation and then uses reliability-enhanced student feedback to refine the robust teacher. The refinement combines inverse adversarial student feedback with teacher-student discrepancy maximization, after which the refined teacher is used to continue training the same student under the unchanged base distillation objective. We further establish a sample-level sufficient condition for reliable weak-to-strong feedback transfer and derive a distribution-level upper bound on the refined teacher's risk. Experiments on CIFAR-10, CIFAR-100, and TinyImageNet-10 across multiple teacher-student architectures and base distillation methods show that CARD improves adversarial robustness in most evaluated settings while generally preserving clean accuracy. These results show that the distilled student can provide useful feedback to the teacher, enabling robustness transfer to proceed beyond the conventional one-way teacher-to-student paradigm.

Context can improve large language model performance, but these gains may be lost after context removal. Inspired by biological systems consolidation, we formulate Memory Consolidation (MC) as internalizing these gains while preserving non-target capabilities, connecting context-specified editing, skill learning, and behavioral steering under a common objective. We introduce a five-task-family testbed measuring consolidation and retention under single, batch, and sequential updates. We propose Cortex, which generates prospective queries to anticipate uses of context and distills context-conditioned outputs into mergeable low-rank or structural feed-forward network updates. Across 4B--120B dense and mixture-of-experts backbones, including both text-only and multimodal models, Cortex lies on the empirical consolidation--retention Pareto frontier in most evaluated settings. After 50 sequential factual edits on a 14B model, Cortex-Structural recovers 88.9% of the context-induced gain while retaining 99.8% of original non-target performance.

Model signing authenticates the full-precision weights W an LLM is released with, yet users run a quantized artifact Q whose producing transformation is not uniquely determined under current disclosure. We separate the non-environment inputs from the execution environment E and measure a quantity that, to our knowledge, has not been measured before: the Independent Verifiability Rate (IVR), the fraction of a popularity-sampled GGUF ecosystem that a third party can re-derive bit-for-bit. Across the 200 most-downloaded Hugging Face GGUF repositories (198 in scope), no artifact or model card records the build environment, so under a recorded-inputs protocol the IVR is 0/198. Yet the artifacts are not irreproducible. On four in-sample repositories that disclose their inputs, the card's information alone reproduces no Q4_K_M file, but two coordinates the card omits - the build's floating-point-contraction setting and, for hybrid models, the per-tensor quantization recipe - re-derive 7/8 target-quant files bit-for-bit on x86 (5/8 on arm64); the fp16 re-derives from the provider's checkpoint, but the calibration imatrix must be shipped and hash-bound, since recomputing it did not match. An older release additionally pins the instruction set and did not re-derive. Reproducing the divergence reported with llama.cpp PR #25353, we show that E is a necessary coordinate and that one compiler setting yields a unique output across the tested platforms at negligible quality cost (+0.06% perplexity). As a security characterization, benign floating-point non-determinism separates from uniformly placed nibble-flip tampering above a detection floor that grows with the environments a verifier must allow, but a targeted embedding edit evades the statistic, so the proposed protocol rests on exact re-derivation; adversarial-fp16 attacks lie outside it. We release the audit data and a re-runnable harness.

Graph-based analysis of electronic health records (EHRs) yields disease-trajectory catalogs, but structural support does not establish semantic novelty. We present a two-level framework to prioritize 99,527 branching motifs previously discovered by an upstream patient-disjoint, train-only MIMIC-IV v3.1 pipeline and frozen after validation-based catalog selection. The framework separates path-level and node-to-endpoint semantic sparsity from reliability-adjusted clinical priority. Three deterministic textualizations per motif or node-target pair were embedded with BAAI/bge-small-en-v1.5 and calibrated against 166,972 pre-2023 PubMed references using mean top-20 cosine distance. Positive recombination occurred in 8.63% of motifs and had negligible effect on global ranking, whereas specificity and support/GNN reliability terms changed clinical-priority ordering. Robustness analyses across neighbor counts, templates, encoders, generic-label taxonomies, score settings, PrimeKG, and corrected density-based RND showed that broad ordering was more stable than hard top-k membership. A semantic-dose analysis did not support a monotonic relation between score and forecasting benefit after endpoint and token-count adjustment (1.96 days per SD; 95% CI, -0.75 to 4.68). In the frozen catalog-q90 high-semantic subgroup, branch-enhanced forecasting reduced conditional event-time MAE by 20.1 days (95% CI, 13.3-27.0) and sMAPE by 2.37 percentage points (95% CI, 1.81-2.93), while discrimination and endpoint-ranking differences were inconclusive. Corrected RND showed low tail agreement with the primary score (Spearman rho = 0.430; q90 Jaccard = 0.125) despite a similar aggregate timing association. These findings support representation-aware, uncertainty-aware literature-relative prioritization of discovered trajectories rather than causal discovery or clinician-adjudicated novelty.

Reliable fault detection is crucial for industrial machinery in large-scale facilities, where unexpected failures can cause costly downtime and production interruptions. Although acoustic monitoring provides a scalable solution for machine condition monitoring, its deployment is often constrained by high false-positive rates. We propose a two-step approach to automatic anomalous sound detection: first, when only normal operating audio samples are available, a regularized unsupervised model is deployed; then, after the first machine fault, a few-shot adaptation strategy exploits the anomalous samples acquired during the fault to improve the system. This adaptation increases the area under the precision-recall curve (AUPR) from 23.0 to 64.0 and improves detection in the low false-positive-rate region, with the partial area under the receiver operating characteristic curve (pAUROC) increasing from 39.6 to 72.8. We also show that covariance regularization improves both prediction accuracy and training stability in the unsupervised model. These results provide a practical strategy for acoustic anomaly detection systems, enabling improved accuracy and reduced false alarms.

Rising privacy concerns around large language models have accelerated research in private Transformer inference (PTI). Synthesizing the empirical claims in this line of research, however, is hindered by multi-dimensional cryptographic progress and inconsistent evaluation contracts. In this work, we systematize the field by constructing an empirical graph of 62 PTI systems, mapping system attributes to node features and evaluation compatibility to edges. A three-tiered analysis of this graph illuminates the state of private inference. Node-level attribution shows that cryptographic progress drives performance gains across most systems, yet always co-occurs with other factors (model fidelity, hardware, cost accounting). Edge-level auditing shows that only 1 of 1891 candidate system pairs is directly comparable under shared assumptions. Finally, graph-level analysis shows that the scaling frontier of private inference has plateaued at 13B parameters and projects the cost of deploying current PTI techniques on production-scale Transformers. Overall, this graph-based framework equips the community to evaluate PTI claims transparently and channel technical speedups into deployment-scale private inference.

Time-series foundation models provide strong zero-shot forecast, but deployment for real- world applications still requires task-specific designs for model inputs and outputs. Direct inference can leave domain knowledge and re- curring forecast errors unaddressed, while tai- lored pipelines require substantial human ex- pertise and effort. We introduce TIMERSI, a self-improving agentic deployment system around frozen forecasting models. A cod- ing agent translates task descriptions into ex- ecutable pipeline changes. It tests each re- vision on historical forecasting windows and uses observed errors to guide subsequent re- visions. During deployment, an adaptive se- lector chooses among the resulting pipelines using completed forecasts under similar con- ditions. Across 198 tasks on TIME and FEV- bench, TIMERSI outperforms all submissions on six point and probabilistic forecasting met- rics. Controlled comparisons support the value of feedback-guided revision over non-iterative pipeline search. Further experiments verify the generalization with different coding agents and forecasting models.

Multilingual models share capacity across languages, so adding languages can hurt performance on existing ones. Mixture-of-experts models expand this capacity with little additional per-token computation. Given this extra capacity, does adding experts reduce what each additional language costs? To answer this question, we propose a repetition-aware joint scaling law relating number of active parameters, training tokens per language, number of experts, and language coverage. Fitted on 26,300 per-language loss observations from 64 pretrained configurations, our law reduces prediction error on held-out configurations by 28% relative to the strongest evaluated baseline. At matched number of active parameters and training tokens per language, 32 experts reduce the loss penalty of expanding from 12 to 200 languages by 83% compared with a dense model. Our law further shows that broader language coverage favors more experts across a wider range of compute budgets, guiding capacity allocation as multilingual models scale.

Molecular design is often formulated as an optimization problem over existing molecular spaces. However, molecular optimization and the discovery of structurally distinct replacement molecules represent two fundamentally different search problems. LLM-based molecular design agents typically perform the former, conducting local refinement within the neighborhood of existing structures to improve target properties through structural modifications. In contrast, the latter requires exploration of a broader chemical space to discover molecules with entirely different scaffolds while preserving the functional characteristics of reference molecules. We propose MolHop, an agentic framework for cross-scaffold molecular discovery that enables models to navigate and edit within a pre-organized chemical space. MolHop organizes approximately 1.6 million molecular scaffolds from commercial molecules into a coarse-to-fine hierarchical action space. The agent selects new exploration regions through scaffold navigation actions and adjusts candidate properties through molecular editing. The framework maintains historical trajectory memory to support long-horizon search processes. On drug molecule and commercial compound tasks, connecting Grok-4.6 and DeepSeek-Flash-V4.1 to the MolHop framework substantially improves their cross-scaffold joint success rates. We develop MolHop-9B through agentic reinforcement learning, and MolHop-9B outperforms generative baselines including GPT-5.6-sol, Claude-5-Opus, and Gemini-3.1-Pro, while generating candidate molecules with larger scaffold differences from the reference molecules. These results demonstrate that effective molecular discovery beyond the traditional optimization paradigm requires structured chemical and action spaces, enabling agents to explore new structural regions rather than merely refine existing molecules.