Papers

Out-of-distribution (OOD) detection is essential for deploying machine learning models in open-world and safety-critical scenarios, where test inputs may deviate from the training distribution and overconfident predictions on unknown samples can lead to unreliable decisions. Outlier Exposure (OE) has emerged as a promising OOD detection paradigm by introducing auxiliary outliers during training to enlarge the margin between in-distribution (ID) and OOD samples. Existing OE-based methods typically enlarge this margin by employing uniform labels to maximize the entropy of OOD samples over ID categories. However, we theoretically show that uniform labels inevitably disregard the relations between OOD samples and ID categories, termed the over-softening effect, leading to a suboptimal margin bound. Our theoretical analysis further reveals that explicitly exploiting such relations can instead yield improved OOD detection performance. Motivated by this insight, we propose \underline{A}daptive Confidence \underline{OE} (AOE), a simple yet effective method that leverages temperature scaling to recalibrate outlier labels. Specifically, AOE generates adaptive soft targets from temperature-scaled model predictions for OOD samples, where the learnable temperature smooths the prediction distribution without fully erasing class-wise relational information. By supervising OOD samples with these adaptive soft targets, AOE preserves the semantic proximity between OOD samples and ID categories while encouraging the softened targets to approach a high-entropy distribution, thereby suppressing overconfident OOD predictions and enlarging the separation margin. Extensive experiments across diverse benchmarks demonstrate the effectiveness of AOE.

On-policy self-distillation (OPSD) improves the reasoning capabilities of large language models (LLMs) by providing dense token-level supervision for on-policy rollouts. However, existing OPSD methods often yield limited gains on complex reasoning tasks and suffer from severe training instability. We identify two key causes: conditioning the self-teacher on a complete verified solution encourages imitation of complete reference trajectories rather than extraction of transferable reasoning insights, while indiscriminate full-response distillation imposes superfluous supervision on already-valid reasoning prefixes. Together, these issues suppress reasoning diversity and contribute to late-stage mode collapse. We propose Reflective On-policy Self-Distillation (ROSD), which distills transferable reasoning insights rather than complete reference trajectories. For each erroneous rollout, a self-reflector contrasts it with a correct rollout from the same group to derive a corrective idea and identify the sentence containing the first reasoning error. The corrective idea provides the self-teacher with targeted guidance, while the diagnosed error boundary allows ROSD to mask out the distillation loss over the valid prefix and apply token-level distillation only from the first erroneous sentence onward. Experiments across multiple reasoning benchmarks and model backbones show that ROSD consistently outperforms standard OPSD and reinforcement learning baselines, better preserves reasoning diversity, stabilizes training, and mitigates late-stage mode collapse. Code is available at https://github.com/ZiqiZhao1/ROSD.

Memory-augmented large language models extend reasoning beyond a fixed context window by maintaining long-term memory across interactions. However, existing memory systems often collapse stable user facts, episodic events, and behavioral rules into a shared space, allowing functionally distinct memories to be retrieved and used as interchangeable evidence. We identify this failure mode as heterogeneous memory contamination, where context-specific events become overgeneralized claims, or semantically relevant but functionally incompatible memories mislead generation. To this end, we introduce MemGuard, a type-aware memory framework that preserves functional memory boundaries during memory construction and retrieval. It assigns each memory an explicit functional role at write time, maintains relations across type-isolated memories, and selectively composes evidence only from necessary memory types, reducing contamination from irrelevant or functionally incompatible evidence. Across hallucination and long-horizon conversation benchmarks, MemGuard improves memory reliability by up to 28.27% while retrieving up to 5.8x fewer memory tokens than prior methods. These results suggest that reliable long-term reasoning depends on principled organization and selective use of heterogeneous memory.

Large language models (LLMs) can now solve complex problems through long chain-of-thought (CoT) reasoning, but the trade-off between performance and token cost remains a central challenge. To address this issue, supervised fine-tuning (SFT) often uses compressed reasoning data, where CoT traces are shortened into compact forms. However, the effect of such compressed reasoning data on post-training remains poorly understood. In this paper, we propose a taxonomy of CoT consisting of Explicit CoT, which outputs all operations without aggregation, Composed CoT, which combines multiple operations into a single step, and Implicit CoT, which omits intermediate operations. As a controlled mechanistic study, we construct a synthetic compositional reasoning task that allows controlled variation of difficulty, compression granularity, and data size, and conducted a comprehensive set of experiments across different model families and sizes. Notably, we find that (i) coarser CoT requires more SFT data, (ii) compared with Explicit CoT, Composed CoT and Implicit CoT benefit more from data scaling, while Composed CoT benefits from data repetition and Implicit CoT tends to lead to memorization, (iii) unlike SFT, subsequent reinforcement learning (RL) with verifiable rewards (RLVR) decomposes compressed steps learned during SFT, and (iv) unidirectional CoT ordering shows stronger generalization on longer sequential tasks. Our findings provide implications for CoT design under data resource constraints and offer important insights into the mechanisms of SFT and RL in LLM post-training.

Deep networks are powerful function approximators, but they typically store many different computations in shared weight matrices, making it difficult to selectively reuse or adapt parts of them when a familiar structure appears in novel combinations. We introduce the Vector Network (VN), a hierarchical recurrent architecture in which each layer replaces a fixed weight matrix with a library of reusable rank-1 weight atoms. For each input, VN minimizes a layer-local energy to infer a sparse set of active weight atoms and their coefficients, jointly constrained by bottom-up input reconstruction and top-down feedback consistency. These weight atom coefficients then compose an input-specific low-rank weight matrix for that sample. After convergence, slow learning updates only the selected weight atoms through local residual signals scaled by the inferred coefficients. We evaluate VN on four compositional benchmarks spanning 1D signals, 2D spatial decoding, N-body dynamics, and compositional MNIST. VN matches strong baselines in distribution while often achieving out-of-distribution error about an order of magnitude lower when familiar factors must be recombined in novel ways. Vector networks thus make compositional generalization a structural property of the architecture and inference process rather than a brittle byproduct of fitting many behaviors into one shared dense parameter substrate.

Large language models frequently generate toxic, hateful, or harmful content, yet existing mitigation methods rely on costly retraining or output-level filtering with no mechanistic insight into where toxicity originates internally. We introduce Meow2X and TRNE, two complementary retraining-free frameworks that localize toxicity to specific layers and neurons by analyzing activation differentials between toxic and neutral prompts, then suppress them via inference-time scaling or minimal rank-one weight edits – without any gradient descent. Evaluations across five LMs, two benchmarks, and 90 configurations using dual safety evaluators demonstrate consistent toxicity reduction while preserving language modeling quality. Our analysis reveals that toxicity is disproportionately encoded in early MLP layers, varies across architectures, and is systematically underestimated by single-evaluator setups – underscoring the need for multi-evaluator safety assessment. By bridging mechanistic interpretability with practical detoxification, our framework offers a principled path toward safer, more transparent language models.

Time series anomaly detection is critical for maintaining the reliability of mission-critical systems. While Transformer-based models like PatchTST have shown remarkable performance, their $\mathcal{O}(L^2)$ computational complexity severely limits deployment in resource-constrained environments. In this paper, we propose Patched-DeltaNet, a novel architecture combining time-series patching with Gated Delta Networks. By integrating these paradigms, we hypothesize and demonstrate the emergence of token-level event-driven memory, whereby the patching mechanism extracts local semantic chunks, while the error-driven DeltaNet updates its recurrent state exclusively when significant physical changes, defined as deltas, occur. This synergy effectively filters out background noise and captures sudden anomalous drifts. Our rigorous experiments on the Server Machine Dataset (SMD) benchmark demonstrate the structural superiority and sample efficiency of Patched-DeltaNet. By strictly outperforming recent architectures under unified evaluation constraints and identical compute budgets, our model yields an ROC-AUC of 0.957 and PA-F1 of 0.822, while drastically reducing computational complexity to the theoretical minimum of $\mathcal{O}(L/P)$.

Gradient-flow optimization is usually viewed as an algorithmic procedure for minimizing empirical loss, with training duration selected by validation or heuristic early stopping rules. We develop a statistical inference framework for gradient-flow training. We show that whenever fitted values evolve through a time-invariant positive semidefinite training operator, the output at each time is equivalent to the best linear unbiased predictor under a corresponding random-effects model. Training time then becomes a variance-component parameter governing variance reallocation from residual noise to structured signal. This turns two training decisions into inferential problems: whether training is needed becomes a variance-component test for signal beyond initialization, and how long to train becomes restricted maximum likelihood (REML) estimation of the training-time variance component. We show that the REML-guided early stopping rule selects the time at which optimized spectral losses become decorrelated from the training-operator eigenvalues. The asymptotic prediction optimality of the REML-guided early stopping time is established for fixed-design in-sample risk and random-design out-of-sample risk. Deep learning models in fixed-kernel gradient regimes provide canonical instantiations for our results. Numerical experiments and a UK Biobank proteomics application show competitive accuracy of the REML-guided early stopping time with reduced reliance on validation splits and repeated checkpoint evaluation.

Diffusion posterior sampling conditions diffusion priors on measurements, but data-consistency updates are typically scaled by hand-tuned guidance weights and can destabilize sampling under stiff, operator-dependent curvature. We replace scalar guidance with a per-noise-level damped Gauss–Newton correction computed in diffusion-state coordinates. The correction pulls likelihood gradients back through the denoiser, uses a one-sided curvature model that avoids forward denoiser Jacobians, and applies diffusion-calibrated rank-one damping aligned with the denoiser residual. Each correction is solved with matrix-free GMRES using automatic differentiation, and sampling proceeds with a variance-preserving Langevin transition with a closed-form drift/noise split. On FFHQ and ImageNet across inverse problems, it achieves competitive PSNR/SSIM/LPIPS while running markedly faster than most of the compared baselines; on accelerated MRI reconstruction, it achieves the best PSNR/SSIM among the compared baselines.

Neural scaling laws guide resource allocation, but how should a fixed parameter budget be divided between depth and width? Motivated by inverse-width representation-error scaling under strong superposition, we study this allocation through the network's end-to-end response. The Neural Feature Ansatz links weight and gradient geometry, motivating the Frobenius norm $F$ of the input average gradient outer product (AGOP) as an observable of response strength and overlap. By reproducing Anthropic's toy-model double-descent experiment, we find that $F$ and test reconstruction loss follow an approximately affine relationship across the full sample-size sweep and share an interpolation peak. Through Gaussian minimum-norm regression experiments, we further show that this correlation arises from a fitted-noise amplification term shared by prediction error and $F$. By pretraining language models spanning different shapes and parameter budgets, we find a strong positive correlation between loss and $F$ among the best shapes selected by validation loss. This supports interpreting effective parameter allocation as preserving task-relevant computation while reducing the amplification of error responses. Our results identify error-response amplification as a mechanism linking gradient superposition to generalization, providing a functional account of depth-width allocation and efficient parameter utilization. The code is availale at: $\hyperlink{https://github.com/wenjie1835/Shape_Scaling}{https://github.com/wenjie1835/Shape_Scaling}$.

Generative models, including diffusion models, are increasingly used as foundation models and adapted through sequential fine-tuning, making continual learning an essential problem setting. However, continual learning in such generative models remains poorly understood: after a task change, what aspects of the learned distribution are most easily lost, and what replay samples should be prioritized? We address these questions through the modern Hopfield energy. Recent links between modern Hopfield networks (MHNs) and diffusion models allow analyses in MHNs to be transferred to diffusion models. We introduce intrinsic forgetting as an increase in Hopfield energy after the task change. In tractable settings in an MHN, we prove that high-energy, outlier-like samples undergo a larger energy increase than cluster-like samples, implying that samples located in sharp, isolated basins are more forgettable. We further analyze memory replay and show that replay is particularly effective for high-energy samples, enabling an energy-based selection of replay samples. We validate these predictions in experiments on MHNs and two diffusion models under continual-learning settings: Stable Diffusion and a pixel-space DDPM. In these diffusion models, Hopfield energy tracks reconstruction-based forgetting, and replay experiments reveal energy-dependent mitigation of forgetting that is consistent with the MHN analysis.

Deploying Scientific Machine Learning surrogates in industrial CFD workflows requires adapting pretrained models to new vehicle families without large datasets; yet whether geometric representations learned by a geometry encoder transfer to topologically distinct shapes remains unvalidated. We address this through leave-one-family-out experiments on a 61.47M-parameter Transformer surrogate (AB-UPT) pretrained on four vehicle families (411 external aerodynamics cases) and adapted to the held-out fifth with only 20 samples. Three strategies are compared: Full Fine-Tuning (FFT), Lightweight Fine-Tuning (LFT), and Low-Rank Adaptation (LoRA). The central finding is that pretrained geometry encoders learn transferable representations, but the adaptation mechanism determines whether they can be exploited. FFT destabilizes as 61.47M unconstrained parameters overfit to 20 samples (R^2=0.40); LFT fails because the frozen encoder cannot represent unseen shapes (R^2<0). LoRA resolves both: rank-constrained adapters injected into all layers regularize the loss landscape while preserving pretrained features, achieving R^2=0.85+/-0.02 across all five families with 50% lower force RMSE than FFT and 28% lower pointwise field errors. LoRA also outperforms from-scratch training using 3x more target-family data, eliminating the need for large per-family datasets. These results recast LoRA from a memory-saving convenience into a convergence enabler for geometry transfer: a shared backbone paired with lightweight per-family adapters trainable in hours from minimal data.

Knowledge distillation is a powerful method for model compression, enabling the efficient deployment of complex deep learning models (teachers), including large language models. However, its underlying statistical mechanisms remain unclear, and uncertainty evaluation is often overlooked, especially in real-world scenarios requiring diverse teacher expertise. To address these challenges, we introduce Multi-Teacher Bayesian Knowledge Distillation (MT-BKD), where a distilled student model learns from multiple teachers within the Bayesian framework. Our approach leverages Bayesian inference to capture inherent uncertainty in the distillation process. We introduce a teacher-informed prior, integrating external knowledge from teacher models and task-specific training data, offering better generalization, robustness, and scalability. Additionally, an entropy-based weighting mechanism adaptively adjusts each teacher's influence, allowing the student to combine multiple sources of expertise effectively. MT-BKD enhances the interpretability of the student model's learning process, improves predictive accuracy, and provides uncertainty quantification. We validate MT-BKD on both synthetic and real-world tasks, including protein subcellular location prediction and image classification. Our experiments show improved performance and robust uncertainty quantification, highlighting the strengths of our MT-BKD framework.

Linear probes trained on LLM activations are increasingly proposed as deception-detection metrics, yet report AUROC exceeding 0.96 on clean benchmarks while collapsing under distributional shift. This paper systematically pressure-tests probe-based metrics across the Gemma 3 model family (1B-27B parameters), diagnosing why they fail rather than merely documenting that they fail. We test four hypotheses about deception encoding: (1) single linear direction, (2) multi-dimensional subspace, (3) convex conic hull, (4) entropy proxy. Our design includes cross-domain transfer matrices, multi-dimensional probe analysis with permutation null baselines, entropy-residualization tests, and distractor evaluations across 8 stylistic shifts. We find that: (a) probes achieve near-perfect AUROC (>=0.998) on clean data but collapse under stylistic shifts; style-augmented probes recover near-perfect detection (mean AUROC 0.979-0.983) on unseen styles; (b) the single-direction hypothesis is rejected (k=1 captures only 0.61-0.80 AUROC), with cross-domain transfer failure confirmed as geometric rather than layer-mismatch-driven; (c) the entropy-proxy hypothesis is rejected (max |rho|=0.454, max Delta-AUROC after residualization=0.004); and (d) deception does not form a significant linear subspace (per-domain k*=0), yet multi-dimensional probes (k>=5) recover the signal through distributed sub-threshold features. Probe fragility reflects distributional narrowness rather than an architectural limitation: style-augmented probes recover near-perfect detection at both 4B and 27B, establishing that the inverse scaling pattern is a training-distribution artifact rather than a genuine scale-dependent phenomenon.

Agentic large language models are increasingly used to solve real-world tasks by reasoning over goals, invoking tools, and interacting with external environments. Reinforcement learning provides a natural framework for improving these behaviors, and recent agent RL methods have achieved strong results across domains. However, the training dynamics of agent RL remain poorly understood, limiting our ability to diagnose instabilities and design more effective training algorithms. In this work, we identify a previously underexplored phenomenon in agent RL, which we term cyclical entropy eruption. Unlike single-turn reasoning RL, where entropy typically collapses and stays low, agent RL training exhibits unique recurring cycles of sharp entropy eruption and gradual subsidence. We decompose this dynamic into three phases and provide theoretical and empirical analyses of each, explaining the mechanisms underlying its cyclical oscillation. We further show that degenerate patterns such as sentence duplication and hallucination, once acquired during eruption, can persist and accumulate across cycles. Motivated by these findings, we propose SEAL (Separation-Enhanced Agent Learning), a lightweight auxiliary loss that separates correct and incorrect trajectories in representation space, directly targeting the root cause of entropy eruption. Experiments across multiple benchmarks, models, and RL algorithms demonstrate that SEAL stabilizes training and yields stronger downstream agent performance.

Backpropagation is the default learning rule for artificial neural networks and is often treated as the settled approach whenever differentiability is available. In this work, we revisit this convention through a theoretical lens of sample efficiency. We introduce a unified vectorized feedback framework for loss-based and reward-based learning on computational graphs, in which synthetic gradients emerge as a natural alternative to backpropagation. We characterize the conditions under which synthetic gradients can achieve a lower gradient-estimation mean squared error than backpropagation. We construct examples illustrating that this sample efficiency advantage can be arbitrarily large. Experiments on contextual bandits and reinforcement learning tasks demonstrate the potential of our theoretical findings.

Principal component analysis (PCA) is traditionally implemented through a covariance or kernel matrix, leading-eigenvector extraction, and hard rank-$k$ projection. These steps can be computationally costly in high-dimensional and quantum-data settings, sensitive to small eigengaps, and unnecessary when downstream tasks only require principal-subspace scores. Such score-based objectives are important in applications such as anomaly detection, spectral-energy profiling, and other postselection tasks. To address these needs, we introduce a measurement-based soft PCA framework replacing the hard top-$k$ projector with an entropy-regularized Fermi–Dirac filter. This filter is the unique optimizer of an entropy-regularized variational formulation of PCA and converges to the classical PCA projector in the zero-temperature limit. This filter has a direct interpretation as a quantum measurement, which naturally suggests a quantum approach. For centered covariance operators represented by quantum feature states, a single fixed circuit, together with threshold calibration, accesses all optimal filters for different rank budgets or retained-variance levels without rank-dependent circuit updates or eigenvector recovery. For new inputs, the same calibrated quantum circuit yields soft principal subspace scores, spectral energy profiles, and postselected filtered states. The required centering of both training and test data is performed coherently inside the quantum protocol, which is particularly important for quantum data where no classical feature vectors or centered Gram matrix are directly available. By reframing PCA as a calibrated measurement task, this framework bypasses the need for iterative eigenvector extraction and achieves a dimension-independent sample complexity $O(\eta^{-2})$ for normalized fractional-rank or retained variance scoring at additive accuracy $\eta$.

Scintillation detectors with excellent timing resolution enable more precise localization of radiation sources in positron emission tomography, leading to substantial improvements in diagnostic capability for diseases such as cancer and dementia. At the extreme timing precision required for such applications at the picosecond scale, detector performance is governed by the microscopic dynamics of scintillation photons generated within the detector and their subsequent detection processes. However, detector signals have conventionally been treated only as collective responses of many photons due to structural constraints inherent to photodetectors. In this study, we overcome this fundamental limitation using deep learning, enabling direct access to the timing information of individual photons. The proposed method estimates photon-by-photon arrival times directly from detector waveforms without requiring any modification to the detector structure; the method operates on an event-by-event basis without ground-truth labels by integrating an unsupervised learning framework with a physically informed detector-response model. Through comprehensive validation combining Monte Carlo simulation and experimental measurements across various detector configurations, we experimentally demonstrate improved timing resolution, visualized depth-of-interaction-dependent photon transport, and classified Cherenkov and scintillation photons based on the estimated photon-level timing information using a unified deep learning-based framework. These results provide experimental access to photon dynamics, bridging the gap between theoretical modeling and experimental observation, and they open a new data-driven pathway for discovery in detector physics and optimization.

Think-with-image reasoning is emerging as a new inference paradigm for large vision-language models, but its safety implications remain poorly understood. Existing systems already span multiple process designs, including direct response generation, text-only prior turn, visual-state manipulation, and explicit external image-tool invocation. In this paper, we ask which of these evaluated paradigms improves multimodal jailbreak robustness, and why. Across multiple vision-language models, explicit image-tool interaction yields the lowest attack success rates in our experiments, reducing jailbreak success by around 30% relative on average across the evaluated models. This finding is initially surprising: ASR remains low even when the returned image-tool output is manually overridden or itself unsafe-looking, but returns near direct-answering levels under text-only prior turn controls. These results indicate that the lower ASR is not explained by benign returned-image semantics or by the textual image-tool trace alone. To explain the pattern, we introduce an image-tool safety vector framework that models image-tool invocation as a residual shift in hidden representations toward a safety-relevant direction. Representation-level analyses and activation interventions support this account. Overall, our results suggest that explicit image-tool interaction is a promising design pattern for improving jailbreak robustness, while also motivating pipeline-specific safety evaluation.

Active sensing links behavior and learning through an action-perception loop: actions determine the observations used to update internal predictive models of perception, which subsequently guide the next actions. Predictive-coding frameworks provide a natural way to model this process, since internal representations are continuously updated to predict future observations. Here, we ask how exploratory and exploitative behavioral strategies shape these internal predictive representations. We build an online learning agent in a tree-like maze with a controllable parameter regulating the balance between exploratory and exploitative regimes. The agent updates a predictive-coding-based perception model from experience generated by its own behavior. The model predicts both future maze states and reward probability, allowing the agent to select actions either by expected information gain during exploration or by predicted reward during exploitation. We show that the resulting internal predictive representations depend strongly on the agent's behavioral regime. Exploratory agents develop representations that are more spatially organized and better preserve the structure of maze transitions in latent space. In contrast, exploitative agents learn less organized representations. We then train this predictive model on natural trajectories of water-deprived mice navigating the same maze and compare the resulting representations with those learned from agent trajectories. More exploratory mice show representational geometries that closely match those of exploratory agents, whereas mice with more restricted visitation patterns resemble reward-driven, exploitative agents. Together, these findings suggest that exploration enables predictive models to form generalized internal representations by organizing latent space around both spatial location and transition context in artificial agents and animals.

Image inputs enable Large Vision Language Models (LVLMs) to perceive fine-grained visual information, but also introduce a pixel-level attack surface through which adversarial perturbations can elicit unsafe model behaviors. However, most existing defenses are designed for traditional computer vision settings and thus often overlook the cross-modal alignment required by LVLMs, leading to degraded performance. Meanwhile, the limited defenses tailored to LVLMs often require substantial image modifications and introduce considerable computational overhead, thereby compromising inference quality and efficiency. To address these limitations, we propose Structure-Induced Guided Neutralization (SIGN), a lightweight, plug-and-play defense framework that improves LVLM compatibility via Prior Structural Extraction and achieves efficient perturbation suppression via Dynamic Guided Neutralization. Extensive experiments show that SIGN achieves over 87% defense success rate with only 0.5% pixel modification and 0.16 seconds per image, while nearly preserving original visual representations and benign task performance. Our work offers a lightweight alternative to defenses that require costly model training and highlights the potential of exploiting a vision encoder for efficient adversarial protection. Our code is open source on https://anonymous.4open.science/r/SIGN-BCB1.

The rapid growth of computer vision and increasingly complex image recognition tasks has exposed fundamental computational limitations of classical machine learning models, motivating the exploration of quantum computing as an emerging new paradigm. This paper presents a comprehensive benchmarking study of classical and quantum machine learning models for image recognition on the MNIST handwritten digit dataset, evaluating both traditional models, a Classical Support Vector Machine (CSVM) and a Quantum Support Vector Machine (QSVM), and deep neural network models, a Classical Convolutional Neural Network (CCNN) and a Quantum Convolutional Neural Network (QCNN), across four performance dimensions: classification accuracy, computational runtime, parameter count, and memory requirements. Experiments are conducted as functions of both feature dimensionality and sample size, and across CPU and GPU execution environments, providing a controlled, multidimensional comparison to address gaps in prior work. For the SVM-based models, QSVM consistently outperforms CSVM in accuracy, reaching $\sim$ 0.90 versus $\sim$ 0.85 at 1,000 samples, with a higher computational cost. A feature count of 10 qubits and a sample size in the range of 200 – 500 emerge as practical operating points that balance accuracy and runtime. For the neural network models, CCNN and QCNN achieve comparable classification accuracy, both exceeding 0.96 at 64 features and 60,000 samples, yet QCNN offers superior parameter and memory efficiency at higher feature counts, while incurring higher runtime. Across both model families, quantum models consistently outperform classical models by greater margins in accuracy as feature dimensionality or sample size increases.

Learning visuomotor policies via behavior cloning typically involves mimicking expert demonstrations collected by human operators. However, natural human demonstrations inherently contain high-frequency noise, such as intermittent jerks, pauses, and action jitter. Training policies to directly imitate these raw trajectories inevitably causes the model to inherit these suboptimal behaviors. This pathology is particularly pronounced in diffusion-based policies, where iterative denoising steps can inadvertently amplify high-frequency artifacts at the expense of meaningful fine-grained details. To address these limitations, we present a novel frequency-based algorithm that enables implicit spectral maneuvering and smooth action generation. Our method, Frequency Guidance Operator (FGO), steers the generation process of diffusion polices by progressively driving the noisy samples through intermediate sub-frequency manifolds with expanding spectral bands. Validated on 15 robotic manipulation tasks from 5 benchmarks, FGO achieves superior performance in enhancing action smoothness and temporal consistency while preserving the details necessary for successful task execution. Project website: https://henrywjl.github.io/frequency-guidance-operator/

Node classification on graphs often requires labeled nodes, yet obtaining labels at graph scale is expensive. When node attributes contain semantic content, such as paper abstracts, web pages, or product descriptions, large language models (LLMs) can provide low-cost supervision by annotating a small subset of nodes. However, these LLM-generated labels are noisy, and existing label-free graph learning methods usually treat this noise as either global or class-conditional. We find that LLM annotation errors are not only class-dependent but also region-dependent: within the same class, reliability can vary sharply across feature-space clusters. In light of this, we propose Cluster-Aware Noise Estimation (CANE), a label-free learning framework that estimates cluster-conditional LLM reliability without ground truth labels, and uses this estimate to decide which pseudo-labels to trust, and which labels to correct. Across various graph benchmarks and GNN backbones, CANE improves over the strongest label-free baselines, with the largest gains on datasets exhibiting stronger cluster-conditional noise.

We study efficient differentially private algorithms for estimating monotone statistics, i.e., statistics that are monotone under the addition of new observations. The starting point for our investigation is subsample-and-aggregate: a classical paradigm that partitions the dataset into blocks, estimates the statistic on each block, and then privately aggregates the estimates. While practical and generically applicable, this approach is quite data-hungry. We improve upon this framework for the class of monotone statistics – compared to subsample-and-aggregate, our algorithms save a factor of $t$ in sample complexity and pay a factor of $e^t$ in running time, where $t>0$ is a tunable parameter. We complement our results with a query-complexity lower bound, showing that our algorithms are essentially optimal for this task. As an application, we obtain improved results for private eigenvalue estimation, private loss estimation, and privately estimating a single parameter of a high-dimensional model, e.g., in linear regression.

Time series forecasting in real-world settings often depends not only on historical observations, but also on external context that must be actively discovered from noisy, heterogeneous information sources. Yet existing context-aided forecasting benchmarks typically assume that the supporting context is already provided, leaving open whether agents can identify it on their own. Therefore, we introduce Dr-CiK, a benchmark for evaluating whether agents can retrieve forecasting-relevant supporting context from a document corpus, filter out distractors, distill the retrieved context into forecast-useful evidence, and generate forecasts supported by that evidence. Through context ablations and evaluations of state-of-the-art deep research and forecasting methods paired together, we show that high-quality context substantially improves forecasting performance in Dr-CiK. However, existing DR methods recover limited ground-truth supporting evidence, are frequently misled by distractors, and can cause forecasters to perform worse with retrieved context than without context. Our results motivate research on agents that search for the right context to predict the future.

Synthetic Electronic Health Record (EHR) generation provides a promising avenue for data augmentation and cross-hospital modeling in privacy-constrained healthcare settings. However, most existing EHR generative models are centralized and require pooling data across hospitals, which is often infeasible when real-world data sharing is restricted. While federated EHR generation offers a natural solution, direct federated modeling often collapses or diverges due to the high dimensionality, sparsity, and cross-hospital heterogeneity of EHR data. In this work, we propose FedEHR-Gen, the first federated framework for synthetic time-series EHR generation across distributed hospitals. FedEHR-Gen uses a two-stage learning paradigm. First, we introduce a federated autoencoder that projects high-dimensional and sparse EHR features onto a compact latent space. To ensure semantic consistency across hospitals, we develop a layer-wise matching aggregation mechanism that aligns local encoders into a unified global latent space. Second, operating on this aligned latent space, we train a federated temporal conditional variational autoencoder (TCVAE) with distribution-aware aggregation, enabling stable temporal generative modeling under severe cross-hospital heterogeneity. Extensive experiments on the eICU and MIMIC-III datasets demonstrate that FedEHR-Gen achieves generation fidelity, downstream utility, and privacy risk comparable to centralized training, while consistently outperforming the standard federated baseline.

Offline policy improvement faces an inherent conflict between maximizing value and fitting the data distribution. While in-sample weighted regression is stable, it suffers from over-conservatism that suppresses high-value actions in the distribution tail; conversely, gradient-based approaches often exhibit a fitting-optimization conflict of gradients, which drives the policy off the data manifold. To address this, we propose Support-Preserving Action Rectification (SPAR), which reframes global learning as a local residual rectification anchored to a frozen pure behavior cloning policy. This framework performs fine-grained fitting and local policy improvement in the residual space, thereby contracting the search space. We further introduce Latent Self-Imitation, utilizing a latent-sampling weighted-regression mechanism to address fitting-improvement gradient conflict in the residual space. Theoretically, we prove this mechanism eliminates the manifold-normal drift of standard value gradients, while extensive D4RL experiments show SPAR extracts significant gains from suboptimal baselines to achieve state-of-the-art performance.

Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph Neural Network (GNN) architectures for drug-drug interaction (DDI) prediction on a publicly available benchmark dataset comprising 38,337 positive pairs across 86 interaction types. Three architectures are compared under identical training conditions (n = 61,339 pairs): a siamese dual Message Passing Neural Network (MPNN) with concatenation (Concat), a dual MPNN with four-head cross-attention (CrossAtt), and a ternary MPNN incorporating an interaction graph (Ternary). CrossAtt improves multi-class F1-macro by +0.186 absolute (+45%) over Concat, while improving binary AUC by only +0.012 (+1.3%) - confirming that atom-level inter-molecular communication specifically enables mechanism-type classification. The ternary architecture underperforms despite equivalent training data, with its failure consistent with a training instability hypothesis. Validation on ten acetylsali- cylic acid (ASA) drug pairs, held out prior to training, demonstrates 10/10 correct DDI-type predictions for CrossAtt versus 0/10 for Ternary. Two consistent failure cases are identified across all architectures, linking to structural limits established in a companion toxicity study.

Claim verification splits between end-to-end classifiers that are accurate but yields no inspectable traces, and decomposition-based methods produce inspectable traces but lag performance on benchmark datasets. We propose DecomposeRL an accurate claim-verifier that produce inspectable traces. DecomposeRL frames decomposition as an RL policy trained with GRPO and a multi-faceted reward ensemble, enabling both fully supervised and semi-supervised learning from unlabeled claims. DecomposeRL addresses the prohibitive training cost of GRPO with a data-curation funnel that distills 115K fact-verification claims into a compact, learning-signal-dense subset of 5K claims. We show that a DecomposeRL-7B policy trained with full supervision on only ~5K curated claims achieves 86.3 in-domain and 69.8 out-of-domain balanced accuracy across 11 claim-verification benchmarks containing biomedical, political, scientific, and general-domain claims. Despite being 4x smaller, it matches 32B baselines and GPT-4.1-mini, and it further outperforms baselines in a semi-supervised setting with only 10% labeled claims data. Code, data, and models are available at https://dipta007.github.io/DecomposeRL