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1837documentos

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arXiv AI Papers

Task-aligned spectral inductive biases in parameterized quantum circuits

Parameterized quantum circuits are widely investigated in quantum machine learning, yet how their architecture can provide task-aligned inductive biases remains poorly understood. We study data reuploading quantum circuits with two distinct inputs: a signal that varies between samples and a fixed, task-defined spectral query that specifies how the signal should be probed. We show that encoding the query can change the circuit's hypothesis class over the signal by modulating how its existing signal frequencies are combined, without introducing new sample-dependent information. This mechanism matches tasks built on nonuniform Fourier transforms, whose evaluation frequencies specify the query and whose sampling positions guide its encoding. We examine this connection in a classification task inspired by synthetic aperture radar, where acquisition geometry determines a query for classifying unfocused spectral patches before image formation. Across small-scale spectral and radar-like tasks, aligned queries improve learning from limited data over parameter-matched circuits with mismatched or absent queries. These results provide a route from known spectral task structure to the design and validation of inductive biases in parameterized quantum circuits.

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arXiv AI Papers

Logic-Guided Graph Denoising Diffusion Models

Graph diffusion models are competitive approaches for generating complex graph-structured data. However, when such distributions have strict structural constraints, diffusion models may fail to capture them exactly, resulting in the generation of invalid graphs. In this paper, we propose a method for grounding graph diffusion models in domain-specific knowledge via First Order Logic (FOL), leveraging its expressive and interpretable formalism to impose structural constraints on the generative process. We incorporate domain knowledge using classifier guidance, a technique that conditions the diffusion model's distribution on external variables to exert control over the sampled data. During the generative process, classifier guidance steers the denoising trajectory to optimize an objective function, which we define as a fuzzy and differentiable relaxation of the logical rules. Our methodology requires only the specification of constraints in FOL, whose satisfaction is encouraged at inference time to guide a pre-trained generative model. We evaluate our approach by comparing the unconditional generation of knowledge graphs with our logic-guided framework, which incorporates domain ontologies as structural constraints during inference. This approach significantly increases the proportion of generated graphs that satisfy the ontological constraints.

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arXiv AI Papers

From Flow-Box Invariants to Global Conservation Laws: Machine Learning-Assisted Detection of Singularities and Near-Integrability

Conservation laws reveal invariant structure in dynamical systems and constrain their evolution to lower-dimensional level sets. Locally, however, per the flow-box theorem, every d-dimensional system generically admits d-1 functionally independent conservation laws near a regular point even though, generically, only a few such laws persist globally. Data-driven methods typically learn conservation laws on a prescribed region of phase space from which training samples are drawn, leaving their behavior beyond that region unresolved. We formulate this local-to-global continuation problem and develop an {expanding-domain neural deflation} framework that tracks the number of independent conservation laws over nested domains. The method recovers the expected d-1 local invariants and detects their successive breakdown as the domain expands, relaxing to the expected global conservation law limit. It distinguishes the local invariants (associated with Frobenius integrability) from persistent global structure and shows that the domain scale over which additional laws survive reflects proximity to Liouville integrability. Pointwise losses can localize isolated obstructions, whereas in more complicated dynamics the breakdown of our loss functions is gradual and spatially diffuse. The framework thus provides a data-driven approach for studying the persistence and breakdown of (so-far-learned) conservation laws across phase space.

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arXiv AI Papers

Blitz: Accelerating the Diffusion Modules of AlphaFold3 and Boltz-2

Diffusion-based protein structure prediction models produce all-atom structures in about 200 denoising steps, and that cost has driven a number of few-step samplers. We present Blitz, a few-step distillation framework that uses a geometric noise schedule to distribute steps more evenly across noise scales, then learns those updates through multistep consistency training. Physical steering and target-free candidate selection help reduce the remaining geometric defects at inference. We apply Blitz to AlphaFold 3 and Boltz-2, reducing denoising from 200 steps to eight. Because published few-step results use different benchmarks and scoring procedures, we compare both distilled models with their teachers and other few-step methods under a common evaluation protocol covering structural accuracy, interface quality, ligand placement, and stereochemical validity. Blitz retains teacher-level structural accuracy, with AF3-Blitz outperforming all evaluated few-step baselines and exceeding its teacher on several accuracy metrics.

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arXiv AI Papers

An Efficient Approach to Beetle Damage Detection of Banana Using Deep Learning

Visible surface damage of banana fruits by Basilepta subcostata (the banana fruit scarring beetle) can reduce their market value. Here, manual inspection of Banana fruits is subjective and difficult to scale. This study presents a lightweight framework based on YOLOv8n deep learning model for locating individual bananas and classifying their visible surface condition as healthy or unhealthy. The term beetle damage in the paper title is used operationally for the locally observed scar-like surface condition; the model does not identify a specific beetle species or biological cause. A custom dataset of 2,473 images containing 5,827 annotated banana instances was prepared from local-market imagery in Bangladesh. The reported experiment used an 80/20 protocol with 1,982 training images and 491 test images. A pretrained YOLOv8n model was trained at 640x640 resolution for 50 epochs with a batch size of 4. On the test partition, it achieved 81.36% precision, 74.30% recall, 77.67% F1-score, 87.04% [email protected] and 59.33% [email protected]:0.95. A YOLOv8s comparison gave slightly lower F1 and mAP while using a substantially larger checkpoint. The YOLOv8n checkpoint occupied 5.96 MB and required 6.54 ms/image for inference on an NVIDIA Tesla T4. The results support YOLOv8n as a compact baseline for instance-level banana surface inspection within the studied acquisition conditions.

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arXiv AI Papers

Language Models Learn to Improve Language Models

Large language models (LLMs) are increasingly used to automate AI research, including language-model (LM) development, offering a potential path toward recursive self-improvement. However, turning experimental feedback into a learned ability to propose effective improvements across models faces two challenges. First, training such an ability with real feedback is expensive: reinforcement learning (RL) requires evaluating tens of thousands of proposals, each potentially requiring a full model-training run. Even at ten GPU-hours per run, reward collection alone would consume hundreds of thousands of GPU-hours, motivating a cheaper surrogate. Second, surrogate feedback can become unreliable as policy optimization favors overestimated proposals when the proposal distribution shifts. To address these challenges, we propose LM2LM, which trains LLMs with RL to generate effective LM improvement proposals. To provide scalable feedback, we use a research world model (RWM), a frozen LLM that predicts proposal gains from real experimental records provided in context, as the reward model for RL. To maintain feedback reliability, we periodically execute current-policy proposals ranked highly by the RWM and add their measured outcomes to its context. Across eight autoregressive and diffusion LM development environments, real-execution evaluations on held-out tasks show that LM2LM enables Qwen3.8-27B to outperform GPT-6-sol, even when GPT-6-sol is given 300 real experimental records in context, while requiring 33% lower data-generation cost. LM2LM also generalizes to a model family unseen during training.

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arXiv AI Papers

HiPredict: Predicting the missing HiRISE RED4 spectral channel with machine learning

The High Resolution Imaging Science Experiment (HiRISE) onboard the Mars Reconnaissance Orbiter (MRO) acquires imagery of Mars at 25--30 cm/pixel, supporting studies of martian geology, climate history, and landing-site characterization. Its 14-detector focal plane assembly includes several overlapping detectors that enable the acquisition of three-channel colour-infrared images, which are important for identifying compositional variations and studying active surface processes. In 2023, a detector in the center of the focal plane assembly (RED4) began failing intermittently, creating a gap in acquired imagery and reducing the instrument's colour-imaging capability by half. The HiRISE processing pipeline provides a synthetic red (SYN4) channel obtained by linearly scaling the co-located infrared (IR10) channel. However, this approach cannot capture observed non-linear relationships between the colour channels, limiting its accuracy and applicability. Here, we present HiPredict, a machine-learning framework that reconstructs RED4 from co-located IR10 and blue-green (BG12) imagery, neighbouring red-channel observations, and acquisition metadata. The model employs a U-Net architecture to learn non-linear spatiotemporal-spectral relationships between these inputs and is trained on 81,717 training samples, representing 13,625 observations. Evaluated on 23,348 test samples, representing 3,892 pre-failure observations, HiPredict reconstructs RED4 with a Normalised Mean Absolute Error of 1.1%, substantially outperforming SYN4 (3.1%). The reconstructed products improve colour image recovery and more closely represent features of interest such as icy craters, stratigraphy exposed along ridge crests and chloride deposits. We release HiPredict as an open software tool. This work demonstrates the potential of machine learning to mitigate data loss as planetary missions age and naturally degrade.

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arXiv AI Papers

The Loss or the Architecture? What Matters in Survival Analysis with Competing Risks

Often, eg in healthcare and predictive maintenance, what matters is which of several competing causes will strike first, and with what probability: survival analysis with competing risks. Corresponding deep learning methods are developed as bundles: a new architecture together with a new training loss, tested on one to five datasets against a handful of baselines. Thus, a state-of-the-art result cannot be attributed to the architecture, the loss, or the evaluation protocol. The coupling is not accidental: with one incidence curve per cause, a network's head is tied to the losses expressible on it. We vary the two axes independently, three losses, two of them strictly proper, on four backbones, across two modalities that tease the axes apart: 20 tabular and 3 pathology-image datasets. One loss wins in both: modelling cumulative incidence directly under censoring weighting. It brings twice as much as benefits a good choice of backbone on competing-risks data, and no more than it on single-event data: the loss is decisive for competing risks. The backbone matters too, and must match the modality: tabular networks lead on tables, pretrained vision encoders on images. The two choices compound rather than substitute. Proper scoring rules reveal these dynamics; the concordance index (C-index), which is not proper, does not separate models: neither axis moves it, not even tuning on the loss built to improve it. This is an avenue of progress: composed, the two give a model nobody has tried, RealMLP or TabM trained with the cumulative-incidence loss, which takes the best Brier score in our benchmark.

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arXiv AI Papers

Look, Reason, Draw a Region: Recursive Refinement for Spatial Context Prediction

Spatial context prediction requires visual grounding and spatial reasoning to identify vacant regions relative to objects in a scene. Spatial relationships and physical constraints remain challenging for large vision-language models (VLMs). Recursive reasoning has demonstrated strong performance on discrete and abstract reasoning tasks, motivating its use for improving spatial context prediction in natural images. Weight sharing enables higher accuracy with a small trainable parameter count. We introduce Spatial-TRM, a compact recursive model with frozen vision-language features, a convex region decoder, and just 11.2M trainable parameters. This weight-tied reasoner supports six spatial relationships, three reference frames, and open-vocabulary anchor objects. On the RoboSpatial-Home benchmark, Spatial-TRM achieves 29.51% context accuracy, a gain of 9.02 percentage points (44.0% relative) over a separately trained single-step model with the same parameter count. Including the frozen encoders, the model has 877.8M total parameters, approximately 15fewer than the reported 13B size of RoboPoint. These results show that repeated refinement improves spatial context prediction from pretrained vision-language features at a fixed trainable parameter count on this benchmark.

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arXiv AI Papers

FlashReFocus: Interactive Image Refocusing in Seconds

Single-image refocusing changes the focal plane and depth of field of a photograph after capture. It is inherently interactive: users try many focal points and blur strengths on one image, so each edit should be fast and change only the blur. Recent generative methods, however, rerun large diffusion models for every edit. We observe that the two sub-problems differ in kind: recovering the all-in-focus image is ill-posed and needs a generative prior, whereas rendering blur is largely determined by depth and the focal plane. We therefore propose FlashReFocus, which runs diffusion once per photograph and renders every edit with a lightweight network. To address the ill-posed restoration, a one-step diffusion deblurrer with a decoder refiner recovers fine detail efficiently while balancing fidelity and perceptual quality. For precise control, the renderer is conditioned on an explicit defocus map and uses defocus-bias attention, which lets pixels at similar defocus share information without interference from pixels at other depths; in-focus content stays unchanged, and editing the map yields tilt-shift and two focal planes. To further test generalization to unseen cameras, we collect 3CReal, a three-camera benchmark of 89 pairs. FlashReFocus achieves the best perceptual fidelity for zero-shot bokeh rendering on EBB! and 3CReal, refocuses 148.3x faster than GenRefocus, and takes about half a second per further edit, 462x faster.

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arXiv AI Papers

CoTA++: Understanding the Repeat Curse in dMLLMs from an Information Flow Perspective

Diffusion-based multimodal large language models (dMLLMs) decode by iterative denoising with bidirectional attention, which precludes the standard autoregressive key--value cache. Practical deployments therefore rely on approximate caching that reuses intermediate states across denoising steps. Such caching, however, often makes a response repeat one token at adjacent positions in a run that breaks the sentence, a failure we term the Repeat Curse. Tracing the context-token information flow reveals three disruptions. Within a step, caching disperses the attention that anchors a position on nearby context tokens. Across steps, similarity-based refresh is not staleness-aware, so some positions are decoded against stale key--value states. Across layers, the deep-layer entropy of the context fails to converge where repetition arises. We accordingly propose CoTA++, a training-free, plug-and-play framework that counteracts each disruption where it originates: Context-Token Attention Re-anchoring re-forms the attention routing against the current context, Decode-Aware Refresh reserves part of the cache's refresh budget for the positions about to be committed, and Context-Token Entropy-Guided Voting discounts the confidence of a position by the deep-layer entropy of its context, which reorders the unmasking. The three components act at non-overlapping stages of a decoding step and compose freely with existing dMLLMs and caches. Across three dMLLMs and two caching backends, CoTA++ reduces the sample repetition rate of long responses from up to 99.6\% to at most 17.0\%, recovers most of the accuracy lost to caching on nine benchmarks, and keeps the speedup of caching at under 15\% overhead, making approximate caching reliable for dMLLMs.

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arXiv AI Papers

Data-Efficient Classifier Pretraining Through Diffusion Models

Machine learning with limited data is susceptible to overfitting, especially with modern deep neural networks. Prior to the introduction of AlexNet, reconstruction-based pretraining with auto-encoder and denoising auto-encoder were found to be beneficial, partially due to the limited size of the training sets at the time. Motivated by these traditional approaches, we propose DiffPT, a simple diffusion modeling approach to pretrain a given classifier backbone for limited domain-specific training data. We experiment on time-series data, standard natural-image benchmarks, and medical imaging datasets, and contrast the diffusion approach to a multitude of modern and traditional un/self-supervised methods. While contrastive pretraining performs better on CIFAR-10 and Tiny ImageNet in low-data regimes, DiffPT is particularly effective on medical imaging and time-series tasks, where it outperforms self-supervised baselines across a range of low-data regimes. Our results suggest that DiffPT is a simple and effective approach for data-efficient classifier pretraining on different modalities.

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arXiv AI Papers

ADT: All-Atom Diffusion Tokenizer for 3D Molecular Structures

Discrete structural tokenization provides a promising route to autoregressive 3D molecular generation. Yet, existing tokenizers face a trade-off between compact representation and all-atom reconstruction: atom-level tokens preserve atomic details but produce long sequences, while compact residue-level protein tokens typically omit side-chain geometry. To overcome this limitation, we propose All-atom Diffusion Tokenizer (ADT), which decouples token granularity from reconstruction resolution. ADT uses one structural token per atom for small molecules and one token per protein residue that jointly represents backbone and side-chain geometry. To mitigate geometric distortion introduced by quantization, we leverage the generative capacity of diffusion models to recover fine-grained atomic geometry beyond deterministic decoding from discrete tokens. Extensive experiments across small molecules and proteins demonstrate that ADT achieves strong reconstruction from compact discrete representations while enabling high-quality autoregressive generation of both small molecules and all-atom protein structures. These results establish compact structural tokens as an effective discrete interface for all-atom molecular reconstruction and generation.

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arXiv AI Papers

Can the Parts Fool the Test? Counterfactual Pairing Cycles for Relational OOD

Relational out-of-distribution errors are easy to describe and hard to evaluate cleanly. An image may be natural, a caption may be fluent, and all mentioned objects may be common, yet the caption may describe the wrong relation in the image. Many evaluations intended to test this behavior can be solved without checking the pairing at all, because negatives differ in caption style, template, length, object frequency, or image statistics. We propose counterfactual pairing cycles, a blocked evaluation primitive that reuses the same two images and the same two captions on both sides of the comparison, changing only which image is paired with which caption. This makes image-only, text-only, and additive component shortcuts cancel exactly in finite samples. The same contrast also gives a training loss for relational outlier exposure and a diagnostic for bilinear vision-language scores. Across synthetic controls, GQA, and COCO, cycles separate coarse image-caption matching from directional role-binding failures, while also identifying geometric size relations that remain strongly visible in global features. In a shortcut-contaminated COCO outlier-exposure stress test, a model selected by a near-perfect shortcut validation AUROC retains substantial relational signal but remains below cycle training on exact cycles; cycle training improves CycleAcc from 0.882 to 0.927. The main lesson is simple: to test whether a model understands a pairing, the benchmark should keep the parts fixed, change the pairing, and ask only about coupling. The official implementation is available online.

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arXiv AI Papers

ReLaDrift: Recurrent Language Generation via Drifting for Test-Time Scaling

Drifting Models generate a sample with a single function evaluation, making them attractive for fast parallel language generation, but their one-step formulation does not support iterative refinement. We propose Recurrent Language Generation via Drifting (ReLaDrift), which uses a shared Drifting Model to generate an initial draft from noise and iteratively refine it in a continuous latent space. We train this recurrence by sampling the number of rounds and applying the drifting loss only at the final round, stopping gradients through preceding rounds so that only one round requires backpropagation. Unlike the one-step Drifting Model, whose accuracy does not improve when iterated, ReLaDrift enables a trade-off between test-time computation and generation quality, as diffusion and flow language models do. On Sudoku Hard and GSM8K, it achieves competitive or superior performance compared with these iterative-generation approaches across a range of inference budgets. Our code is available at https://github.com/Yuki-Ots/ReLaDrift

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