Machine Learning
PhantomFill: When the Form Demands an Answer, Language Models Invent One
Rana Muhammad Usman
Language models in production do not write prose. They fill forms: JSON fields, function arguments, extraction templates. We show that the form itself causes
hallucination. We ask thirteen models the same question about the same input and change only the answer format. The inputs are built so the question cannot be answered: a viral post showing 12,400 likes but no visible replies, a support ticket whose call was never transcribed. In free text, GPT-5.5 says there is no reply data 98% of the time. Given a required JSON field for sentiment, the same model invents an answer 40 times out of 40. It fabricates the mood of crowds it never saw and quotes customers it never heard. Required fields drive fabrication to 100% in ten of thirteen models. An explicit "insufficient evidence" option rescues only the frontier: all nine open-weight models ignore it. Under grammar-constrained decoding, where the escape
token is guaranteed reachable by the sampler, five open models spend it zero times out of 203 trials on the three fields that carry the fabrication, and twelve times on the one field where escaping concedes nothing. They can emit the word. They decline to spend it where it costs them an answer. A direct instruction, do not infer sentiment, is overridden by the schema in four of six models. Resistance does not come with scale: within a single model family, the smallest model refuses, the mid-sized model fabricates, the largest refuses again. Honesty under format pressure is a training outcome that no one is measuring. Fabrication hides where hedging is impossible: in required enums and minimum-count arrays, fields where no disclaimer fits. We release PhantomFill, a
benchmark with deterministic scoring and two reportable numbers: the Coerced Fabrication Rate and the Escape Utilization Rate. The fix we test is one line of schema. The failure we measure is everywhere.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.NE
Robust Auto-associative Memory via Convolutional Restricted Hopfield Networks
Ci Lin, Tet Yeap and Iluju Kiringa
Associative
memory models play a fundamental role in pattern
retrieval, but their performance often degrades under
adversarial perturbations and severe input corruptions. Existing approaches, including Modern Hopfield Networks (MHNs), and Predictive Coding Networks (PCNs), exhibit limitations in balancing storage capacity, computational efficiency, and robustness. In this paper, we propose a Convolutional Restricted Hopfield Networks (CRHNs), which integrates convolutional feature extraction with attractor-based
memory retrieval in a structured latent space. The proposed model leverages subspace representations and fixed-point dynamics, trained via a gradient-free Subspace Rotation
Algorithm (SRA), to enhance both robustness and
memory capacity. Extensive experiments on Self-Taught Learning (STL)
dataset demonstrate that CRHNs consistently achieve significantly lower reconstruction error compared to MHNs and PCNs across a wide range of
adversarial attacks and input degradations. In many cases, CRHNs reduce reconstruction error by an order of magnitude and maintains stable
retrieval performance under increasing perturbation strength. Statistical analysis further confirms that these improvements are significant ($p < 0.01$). These results highlight the effectiveness of attractor-based
memory mechanisms and suggest that CRHNs provide a promising framework for building robust and scalable associative
memory systems.
Read the full abstract ▾
Machine Learning
cAPM: Continual AI-Assisted Pace-Mapping with Active Learning
Dylan O'Hara, Pradeep Bajracharya, Casey Meisenzahl et al. (+7 more)
Ventricular tachycardia is a life-threatening rhythm disorder and a major cause of sudden cardiac death. Pace-mapping is a clinical procedure for identifying the intervention target during catheter ablation of VT. It requires clinicians to pace different sites in the ventricles and rapidly interpret the resulting electrocardiograms to determine where to pace next or whether a target site has been identified. Active learning AI models have been proposed to guide clinicians to the next pacing site, showing promise in reducing the number of pacing sites and improving the efficiency of pace-mapping. Existing methods require retraining each target without the ability to transfer knowledge across multiple VTs within the same patient or across patients. We introduce cAPM for continuous AI-assisted pace-mapping to capture and transfer knowledge accumulated from past pace-mapping data to reduce the number of pace-mapping data needed for future target VTs. This is made possible by a task-agnostic surrogate neural network that learns the mapping from pacing sites to 12-lead ECG morphology, an active-learning strategy that refines this surrogate model by selecting the most informative pacing site for each target, and a continual learning strategy to do so sequentially while retaining knowledge from prior targets. Evaluated on an in-silico testbed consisting of sequentially-presented localization tasks across different physiological conditions and ventricular geometries, cAPM with and without replay of past data samples achieved an 81% probability of localizing within clinical tolerance (5 mm accuracy) using 4.5 pace-mapping sites, compared to the state-of-the-art active-learning method achieving 38% probability using 13.7 pacing sites. These results provide a strong basis for preparing cAPM towards in-vivo preclinical and clinical studies where it can be used to guide pace-mapping.
Read the full abstract ▾
All authors Dylan O'Hara, Pradeep Bajracharya, Casey Meisenzahl, Karli Gillette, Anton J. Prassl, Gernot Plank, Saman Nazarian, Roderick Tung, John L Sapp, Linwei Wang
Machine Learning · Cross-listed from eess.IV
Full-Self Diagnostics (FSD): Physics-Grounded Visual Biomarker Inference from Smartphone Video via Inverse Problems and Operator Learning
Jonathan Thomas and Harsh Thaker
We present Full-Self Diagnostics (FSD), a unified mathematical framework for recovering latent physiological states from unconstrained 9-second facial
videos captured by consumer smartphones. The approach integrates five mutually reinforcing components: (1) a physics-based forward model derived from the radiative transfer equation and chromophore absorption that maps camera observables to biomarker concentrations; (2) an information-theoretic observability theory proving that multi-channel visual signals (spectral, pulse, respiratory, micro-expression, and oculomotor) contain strictly increasing mutual information with physiological state; (3) a stable, Tikhonov-regularized inverse problem with domain-uniform identifiability guarantees; (4) an operator-learning formulation that enables generalization across devices, resolutions, and populations; and (5) a supervised learning procedure, interpretable as
stochastic variational inference, that continuously refines the model from paired biosensor ground truth with performance improving proportionally to one over the square root of the number of paired observations. Empirical validation on 38812 real-world paired scans across 59 subjects demonstrates practical performance. Self-collected data from the lead author (glucose range 35-550 mg/dL) yields MARD of 29.86 percent with 97.57 percent of predictions in Clarke Error Grid Zones A+B and only 0.27 percent in the dangerous Zone E. A well-managed diabetic participant achieves MARD of 17 percent in the narrower 70-180 mg/dL band. These results confirm that consumer-grade facial
video encodes sufficient structured information for clinically relevant, non-invasive biomarker inference under fully unconstrained conditions, with performance scaling predictably as more paired data becomes available.
Read the full abstract ▾
Machine Learning
ProMUSE: Progressive Multi-modal Uncertainty-guided Staged Evidential Alzheimer Disease Classification
Long Doan, Branden Chen, Ethan Litton et al. (+6 more)
Alzheimer's disease (AD) is a fatal disorder that destroys
memory and cognitive skills in the elderly population. Most treatments for AD are effective in the early stage, leading to an increasing demand for early AD diagnosis. AD diagnosis increasingly relies on
multimodal data such as clinical assessments, structural
Magnetic Resonance Imaging (MRI), and Positron Emission
Tomography (PET) imaging. However, MRI and PET acquisition remain costly and not universally accessible, making full-modality inference impractical in real-world clinical workflows. We propose ProMUSE, a Progressive Multi-modal Uncertainty Guided Staged Evidential Network that adaptively determines when additional modalities are necessary, helping reduce the overall cost of data acquisition while maintaining accuracy. ProMUSE first performs evidential classification using low-cost clinical data and quantifies uncertainty via a Dirichlet-based subjective logic model. When uncertainty exceeds a learned threshold, ProMUSE progressively incorporates MRI or PET features, fusing modality-wise belief and uncertainty through Dempster-Shafer theory to obtain a calibrated
multimodal prediction. This staged acquisition strategy enables accurate diagnosis while minimizing reliance on expensive imaging. Experiments on ADNI, AIBL, and OASIS across CN-AD, CN-MCI, and MCI-AD tasks demonstrate that ProMUSE achieves competitive or superior accuracy compared to full-modality baselines while reducing MRI/PET usage by 50-90%, yielding substantial cost savings. These results highlight ProMUSE as a practical, uncertainty-aware, and resource-efficient solution for real-world AD screening.
Read the full abstract ▾
All authors Long Doan, Branden Chen, Ethan Litton, Huan Huang, Jiajing Huang, Yixin Xie, Weihua Zhou, Nandakumar Narayanan, Chen Zhao
Machine Learning
Human-like autonomy emerges from self-play and a pinch of human data
Daphne Cornelisse, Julian Hunt, Zixu Zhang et al. (+4 more)
Self-play reinforcement learning has recently emerged as a way to train driving policies without any human data. It uses cheap, large-scale simulations to substitute expensive, large-scale human driving demonstrations. A key limitation of this approach is that policies trained through pure self-play can learn effective but alien driving conventions incompatible with people. Previous works attempt to mitigate such behavioral misalignments through extensive reward engineering and domain randomization, which are brittle and labor-intensive. Instead of completely discarding human demonstrations, our method treats them as a regularization objective on top of a minimal safe goal-reaching reward. Like the spice in a good stew, we find that a little human data goes a long way: our method uses only 30 minutes of human demonstrations, 2500x fewer than comparable imitation learning approaches. Resulting policies coordinate with held-out human trajectories and complete training in 15 hours on a single consumer-grade GPU.
Videos and full source code are available at https://spiced-self-play.com/.
Read the full abstract ▾
All authors Daphne Cornelisse, Julian Hunt, Zixu Zhang, Waël Doulazmi, Kevin Joseph, Jaime Fernández Fisac, Eugene Vinitsky
Machine Learning
Zero-Inflated Gaussian Distributions Enable Parameter-Space Sparsity in Estimation-of-Distribution Algorithms
Andreas Faust, Sven Nitzsche and Juergen Becker
Estimation-of-distribution
algorithms (EDAs) are a powerful class of evolutionary methods for black-box optimization, especially when little is known about the structure of the objective. Whereas classical evolutionary
algorithms rely on hand-designed mutation and crossover operators, hard to devise for unknown problem structures, and a source of bias, EDAs sidestep operator design entirely: they fit a probability distribution to the best individuals and sample the next generation from it. EDAs are well established on continuous parameter spaces, but they have not previously been generalized to sparse ones, in which most coefficients of a good solution are exactly zero. Existing sparse black-box optimizers therefore reintroduce exactly what EDAs were designed to avoid: hand-crafted sparsity operators, bi-level schemes alternating between support set and active values, zeroing thresholds, and other baked-in assumptions. We close this gap by proposing multivariate zero-inflated Gaussian (ZIG) distributions as EDA sampling laws. A latent Gaussian model with separate indicator and value dimensions represents sparsity patterns, correlations among active parameters, and the interactions between the two, so sparsity patterns and active values are optimized jointly, hierarchy-free. We show that the latent parameters of this model are identifiable from observed samples, unlike in the missing-data settings where related constructions originate, and introduce practical amortized inversion-based
estimators for them. The
estimators accurately recover latent correlation structures, and on the Lunar Lander
benchmark the resulting ZIG-EDA converges faster and reaches higher final returns than a dense Gaussian EDA, a hand-crafted sparse evolutionary
algorithm, and an ad-hoc sparse EDA, while finding controllers with only a small fraction of parameters active.
Read the full abstract ▾
Machine Learning · Cross-listed from math.NA
Neural Architectures as Functional Priors in Physics-Informed Control Problems
Sonia Rubio Herranz, Fernando Carlos López Hernández and Antonio López Montes
In this work we investigate the role of neural architectures as implicit functional priors in control problems governed by ordinary differential equations. Rather than focusing on highly complex problems, our objective is to investigate architecture-dependent effects in controlled dynamical systems within the simplest physically interpretable settings possible. In particular, we study a controlled linear RLC electrical
circuit and a nonlinear Duffing-type dynamical system. Both systems are analyzed first through classical optimal-control formulations and later through PINN-based approaches. We compare different combinations of multilayer perceptrons (MLPs) and
Fourier-based KAN-like architectures, and analyze their influence on the resulting controls. The numerical experiments suggest that different architectural choices systematically generate qualitatively distinct controls, even under identical governing equations, loss functionals, initial and target states, training parameters and physical constraints. Significant differences appear in the spectral structure, smoothness, energy distribution, and phase-space behavior of the learned solutions. A central observation of this work is the emergence of a functional specialization phenomenon when the neural architectures are allowed sufficient freedom to shape the structure of the learned controls. More specifically, in the systems considered here,
Fourier-based architectures tend to produce trajectories with richer oscillatory content, whereas smoother low-frequency-biased architectures tend to generate more regular and energetically efficient controls. This suggests that different functional components of the control problem may be handled more efficiently by different neural architectures, leading to an implicit specialization between state representation and control generation.
Read the full abstract ▾
Machine Learning
Weibull Weight-Scale Parameter Evolution under AdamW Training Dynamics
Tiexin Ding
Building on a two-parameter Weibull framework for diagnosing
transformer weight distributions, we study why the Weibull weight-scale parameter $\lambda$ grows, overshoots, and then relaxes during AdamW training. We derive a leading-order three-force decomposition of the squared weight norm from the AdamW update: an
alignment force measuring the correlation between weights and the adaptive update direction, an injection force from adaptive step magnitude, and a decay force from decoupled weight decay. On self-trained Pythia-70M models with ground-truth optimizer moments,
alignment dominates the rise phase, contributing 88-94% of the absolute force budget across four random seeds and remaining robust to super-weight removal. Near saturation,
alignment and decay approach balance, explaining the transition from weight-scale growth to relaxation. These force dynamics directly govern the squared-norm component underlying $\lambda(t)$; the remaining RMS-to-Weibull reconstruction offset is measurable and decomposes into bridge and integration components, totaling approximately 5-6% in densely sampled regions. To extend the analysis to real models where optimizer moments are unavailable, we introduce a spline displacement method that recovers the
alignment force from sparse checkpoints with approximately 92-94% accuracy, about twice the naive two-point baseline. We further observe that the peak value of $\lambda(t)$ varies with training-data coherence in our experiments, suggesting a data-dependent component of weight-scale growth that we leave to a controlled follow-up study. Code and data are available at https://github.com/tiexinding/NPM-Weibull-public.
Read the full abstract ▾
Machine Learning
Information Lattice Learning as Probabilistic Graphical Model Structure Learning
Haizi Yu and Lav R. Varshney
Information
lattice learning (ILL) learns interpretable rules of a signal by alternately projecting the signal onto a partition
lattice that encodes a hierarchy of abstractions and lifting selected rules back to the signal domain. When the signal is a probability mass function, we show the probabilistic rules learned by ILL admit a natural probabilistic graphical model (PGM) interpretation and develop this interpretation in detail. A partition in ILL induces a deterministic quotient variable, and a rule is the marginal law of that quotient variable. A rule set is therefore a collection of marginal constraints over interpretable abstractions. General lifting is the feasible family of all joint distributions satisfying those constraints, while special lifting chooses a maximum-ignorance reconstruction, implemented in ILL by an L2 uniformity principle closely related to maximum
entropy. Under a Shannon-
entropy lifting, the same constraints yield a log-linear factor graph whose factors are indexed by learned abstractions. The information
lattice itself, however, is not a
Bayesian network: its edges encode refinement and coarsening of abstractions, not conditional dependence. Thus ILL is best viewed as structure learning for interpretable constraint-based factor graphs over quotient variables. This view clarifies how ILL relates to graphical models and maximum
entropy models, while suggesting new directions for inference, identifiability, and hybrid symbolic-probabilistic learning.
Read the full abstract ▾
Machine Learning
Performance Analysis and Optimization of 3D Generative Diffusion Models across GPU Architectures
Jeeho Ryoo, Yongchan Jung, Muhammad Ali Khaliq et al. (+3 more)
Diffusion models have become essential for high-fidelity 3D MRI synthesis, yet their deployment remains constrained by substantial GPU resource demands arising from hundreds of U-Net evaluations per sample and a highly heterogeneous kernel behavior. This paper performs a comprehensive performance analysis of the state-of-the-art medical
diffusion model, Med-DDPM, across three generations of NVIDIA architectures to study kernel-level runtime breakdowns, instruction-mix characteristics,
memory system utilization, warp-level activities, and profiler priority-score estimates. We show that training is overwhelmingly dominated by cuDNN convolution and implicit-GEMM kernels, with inefficiencies arising from
memory-access patterns, tensor-layout conversions, and limited Tensor Core utilization. Guided by these insights, we evaluate two architecture-aware optimizations TF32 Tensor Core activation and a 3D channels-last layout and demonstrate that they reduce SM cycles by up to 100x, cut dynamic instructions by 100x, raise Tensor Core utilization from 1.45 to 9.98x, and increase IPC by 7% on A100, all without degrading synthesis quality.
Read the full abstract ▾
All authors Jeeho Ryoo, Yongchan Jung, Muhammad Ali Khaliq, Weidong Zhang, Jiatong Han, Byeong Kil Lee
Machine Learning
QPILOTS: Efficient Test-Time Q-Steering for Flow Policies
Yifan Ruan, Chenyang Cao, Andreas Burger et al. (+7 more)
Flow-matching and
diffusion policies are expressive action generators, but optimizing them with temporal-difference reinforcement learning (RL) remains difficult. Effective policy extraction requires exploiting the critic's action gradient, yet directly backpropagating this signal through a multi-step denoising process can be numerically unstable. Existing methods work around this either by discarding gradient information, distilling the policy into a simpler one-step actor, or repeatedly fine-tuning the denoising policy as the critic improves. We propose QPILOTS, a method that leaves the original policy unmodified and steers the denoising process at inference time. At each denoising step, instead of evaluating the critic on the noisy intermediate action where critic predictions are unreliable, we first project that intermediate state to an estimate of the final clean action and compute the critic gradient there. We introduce two variants: QPILOTS-U uses a fast single-point approximation, while QPILOTS-M draws differentiable posterior samples via a learned auxiliary network. On a standard offline-to-online RL
benchmark, QPILOTS achieves the best aggregate performance, reaching an average success rate of 90% across 50 tasks. We also apply QPILOTS to steer a large, frozen, pretrained
Vision-
Language Action (VLA) foundation model, outperforming or matching prior inference-time approaches across six manipulation tasks in simulation.
Read the full abstract ▾
All authors Yifan Ruan, Chenyang Cao, Andreas Burger, Ali Pesaranghader, Kaveh Kamali, Jaehong Kim, Nandita Vijaykumar, Alan Aspuru-Guzik, Igor Gilitschenski, Nicholas Rhinehart
Machine Learning · Cross-listed from stat.ME
Bridging data-driven priors via the score function for posterior sampling – Comparative review and experimental study
Elhadji Cisse Faye, Mame Diarra Fall, Sylvain Delchini et al. (+1 more)
This paper reviews how a diverse set of popular data-driven priors commonly used in
Bayesian inverse problems can be unified through their respective score functions. By framing these priors under this common perspective, we show that they can benefit from their straightfoward and effective integration into a recently proposed sampling
algorithm. The applicability of this common framework is illustrated by considering several data-driven priors, namely regularization-by-denoising, normalizing flow-based priors, score-based generative models, and convex-ridge regularizers. For these four particular priors, the performance of the method is evaluated when conducting image inpainting and single image super-resolution. These results, as well as those obtained when restoring real images acquired in a geological context, demonstrate the efficiency of the method. This unified framework proves versatile enough to handle any posterior distribution defined by a broad class of score function-based priors, beyond the specific cases considered in this paper.
Read the full abstract ▾
All authors Elhadji Cisse Faye, Mame Diarra Fall, Sylvain Delchini, Nicolas Dobigeon
Machine Learning · Cross-listed from eess.AS
From Physics to Representation: Audio Learning with Synthetic Pre-training via Procedural Generation
Fengrui Liu, Ruiyang Huang, Qijian Zheng et al. (+2 more)
Self-supervised learning advances audio representation for multimedia analysis. However, prevailing data-centric approaches rely on massive real-world corpora, increasing training costs, curation burdens, and
privacy barriers. To address this, we present AudioPG, a procedural synthesis framework eliminating real audio recordings during pre-training. AudioPG trains a
Transformer-based masked autoencoder on waveforms generated on-the-fly from basic acoustic primitives and composition rules. The encoder transfers effectively to real audio
benchmarks, achieving 90.60% accuracy on ESC-50, 0.546 mAP on FSD50K, 88.17% on UrbanSound8K, and 97.03% on
Speech Commands V2. Notably, pre-training completes in under 20 minutes on a single GPU. Latent space analysis reveals physical factors, including fundamental frequency and relative intensity, emerge in orthogonal subspaces, making representations linearly decodable. These results establish procedural synthesis as an efficient, interpretable pre-training signal when large-scale corpora are unavailable. Our code is available at: https://github.com/Freyliu0516/audioPG.
Read the full abstract ▾
All authors Fengrui Liu, Ruiyang Huang, Qijian Zheng, Yuanfang Wang, Feng Liu
Machine Learning · Cross-listed from astro-ph.IM
Classification of Astronomical Spectra Using PCA-Compressed Flux and Inverse-Variance Features
Bruno Santos Meneses Barreto and Marcio Eisencraft
This paper evaluates a signal-processing and supervised-learning pipeline for classifying SDSS DR17 astronomical spectra into
stars,
galaxies, and
quasars. Each spectrum is represented by its measured flux and inverse-variance information, combining spectral shape with a wavelength-dependent reliability profile. After resampling onto a common logarithmic wavelength grid, the flux and inverse-variance vectors are standardized and separately compressed using principal component analysis. The resulting components are concatenated and used to train several classifiers. The best performance was obtained with the LightGBM gradient-boosting classifier, reaching $94.6\%$ accuracy and $92.1\%$ balanced accuracy on the test set.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.RO
An Attention-based Model for Robust Forecasting with Missing Modality
Zhitian Zhang, Wenjie Zi, Yunduz Rakhmangulova et al. (+3 more)
Learning with missing modalities is a fundamental challenge in
multimodal robot learning, as real-world robotic systems often operate in environments with incomplete sensor data.
Attention-based models are appealing for processing
multimodal data because they can handle multiple modalities with a single backbone network. However, most
multimodal models assume that all modalities are available during both training and inference, limiting their applicability in robotic perception and decision-making. In this paper, we introduce a
multimodal model designed to handle missing modalities during both training and inference. The model is formulated as a conditional variational autoencoder (CVAE) and incorporates a
transformer-based architecture that leverages
attention mechanisms to learn a unified, fixed-dimensional representation, even when some modalities are missing. We show that our proposed model can be trained with missing modalities while approximating a robust representation of all modalities. We evaluate our approach on five
multimodal datasets across two
robot learning tasks: human trajectory prediction and
robot manipulation
forecasting. Experimental results demonstrate that our model effectively learns from incomplete data and is superior to prior
multimodal fusion approaches.
Read the full abstract ▾
All authors Zhitian Zhang, Wenjie Zi, Yunduz Rakhmangulova, Saghar Irandoust, Hossein Hajimirsadeghi, Thibaut Durand
Machine Learning
Can Machine Learning Forecast Rice Yields in Data-Constrained Settings? Satellite Climate Data, National Crop Statistics, and Lessons from Sierra Leone
Ibrahim Denis Fofanah
Sierra Leone's agriculture operates with almost no data-driven decision support, and no published machine learning study has examined the country's crop yields. We ask whether rice yield can be forecast from data Sierra Leone currently has. Using 25 years of FAOSTAT production data (2000-2024) for nine major crops, we train XGBoost, Gradient Boosting, and Random Forest under a strict anti-leakage protocol with expanding-window walk-forward evaluation across seven held-out years, benchmarked against naive persistence. No model trained on crop statistics alone outperforms persistence. Augmenting with free satellite
climate data (CHIRPS rainfall, NASA POWER temperature) reverses this result: a
climate-only XGBoost reduces forecast error by one third (RMSE 284 vs 428 kg/ha), a gain that holds for a linear model and is robust to excluding the anomalous 2018 season. Early-season (May-June) rainfall is the dominant predictor, implying seasonal yield risk is observable months before harvest. No model anticipated the 2018 collapse, whose origins were institutional rather than climatic. We translate the findings into policy recommendations for Sierra Leone's Feed Salone Strategy, with a fully open-source pipeline.
Read the full abstract ▾
Machine Learning
Smoothing Dark Areas in Molecular Latent Diffusion
Xi Wang, Jiahan Li, Yuxuan Xia et al. (+3 more)
Latent
diffusion is a promising framework for scalable 3D molecular generation, but it requires a latent space that remains smooth, valid, and navigable beyond posterior samples. Existing molecular VAEs, however, are typically learned through reconstruction-based objectives, which do not guarantee such a latent space. We show that this leads to dark areas: regions of latent space that are reachable during
diffusion sampling but decode to disconnected or chemically invalid molecules. Unlike in image generation, molecular decoding requires strict structural and chemical precision, so even small latent perturbations can produce catastrophic failures. We therefore propose TopVAE, a
topology-optimized VAE that reduces dark areas by making the decoder internalize structural and chemical constraints during training, eliminating the need for test-time chemical correction. TopVAE greatly improves off-posterior robustness, and when paired with a standard DiT, achieves $77\%$ lower FCD-3D on QM9, the highest V&C, $52\%$ lower FCD-3D on GEOM-Drugs, and $1.29{\times}$ more stable and connected molecules on zero-shot scaffold inpainting.
Read the full abstract ▾
All authors Xi Wang, Jiahan Li, Yuxuan Xia, Yingcheng Wu, Shaoyi Zheng, Shengjie Wang
Machine Learning · Cross-listed from cs.CR
Side-Channel Attacks Survive Noise Cancellation in 3D Printers
Eric Yocam, Varghese Vaidyan, Micah Flack et al. (+2 more)
Active Motor Noise Cancellation (AMNC) is a noise-reduction feature shipped in commercial fused deposition modeling (FDM) 3D printers. Because it suppresses the acoustic emissions that side-channel attacks exploit, it has security-relevant side effects, though we find no evidence it was designed as a security control. We present a duration-controlled evaluation of side-channel leakage on AMNC-equipped hardware, using a public
dataset of 144 synchronized acoustic and vibration recordings from two Bambu Lab printers across 12 object classes. Spectral analysis confirms suppression is measurably active: the motor-resonance band rises only 4.92 dB above its background-relative baseline during printing. Leakage nonetheless survives it. Acoustic classification is at chance for 30-second windows (11.11%, permutation p = 0.188) but reaches 27.08% on a duration-clean 60-second window and 40.28% under distributed sampling, against an 8.33% baseline: the channel is suppressed within short windows, not eliminated. The dominant discriminator, however, is print duration itself, which classifies at 63.89% (95% CI [55.78, 71.28]) from recording length alone and is validated against sliced G-code print time at r = 0.907. Vibration carries genuine geometry information independent of duration: with the observation window equalized by truncation, classification reaches 45.83% against a 25% baseline (permutation p = 0.023). It nonetheless adds no measurable information beyond duration in paired comparison. The leak is architecture-specific, present on the core-XY device (36.11%) and indistinguishable from chance on the bed-slinger (13.89%), and a consumer handset recovers as much as a mounted accelerometer (25.00% vs 26.39%). Noise cancellation raises the observation time an acoustic attacker requires without eliminating the channel, and leaves print duration entirely untouched.
Read the full abstract ▾
All authors Eric Yocam, Varghese Vaidyan, Micah Flack, Gurcan Comert, Judith L. Mwakalonge
Machine Learning · Cross-listed from gr-qc
Binary Black Hole Parameter Estimation with Hybrid CNN-Transformer Neural Networks
Panagiotis N. Sakellariou, Spiros V. Georgakopoulos, Sotiris Tasoulis et al. (+1 more)
The detection of gravitational waves has revolutionized our ability to explore fundamental aspects of the Universe. Traditionally, modeled gravitational-wave signals have been identified using template-based matched filtering, followed by coincidence analysis across multiple detectors in the signal-to-noise ratio time series. Recent advances in Machine Learning and Deep Learning have sparked growing interest in their application to both signal detection and parameter estimation. In this study, a hybrid Deep Learning strategy is proposed that leverages the effectiveness of
Transformer encoders alongside well-established Convolutional Neural Network architectures in an attempt to estimate the intrinsic and extrinsic parameters of non-precessing binary black hole systems. The primary focus of this work is point estimation, producing single best-fit values for each parameter rather than full posterior distributions. This method is evaluated on both simulated signals embedded in Gaussian noise and real gravitational-wave events, and it demonstrates strong predictive performance and robustness across key astrophysical parameters.
Read the full abstract ▾
All authors Panagiotis N. Sakellariou, Spiros V. Georgakopoulos, Sotiris Tasoulis, Vassilis P. Plagianakos
Machine Learning · Cross-listed from cs.CV
Self-Evolving Visual Questioner
Yijun Liang, Hengguang Zhou, Ming Li et al. (+3 more)
Vision-
language models (VLMs) are typically trained as passive answerers, while their ability to actively ask diverse, non-trivial, visual-centric and grounded questions remains underexplored. Existing visual questioners' performance is bottlenecked by the availability of high-quality training data or the cost of curating them. We show that a VLM can continuously improve itself as a visual questioner without any external supervision. We propose a self-evolving framework that uses a VLM itself as both a proposer and a filter to produce harder, more informative, and visual-centric questions, while maintaining their exploration diversity to avoid training collapse. These questions are then used to train the VLM in both questioner and answerer modes. To evaluate the questioner, we introduce an agentic protocol that assesses questions along perception,
reasoning, and diversity dimensions. Experiments across various backbone VLMs show that our method substantially enhances the quality and substantially expands the difficulty boundary of autonomous question generation. Under the same budget, our self-supervision is more effective than training on the static source data. Moreover, the self-evolving questioner remains a competitive or even better answerer.
Read the full abstract ▾
All authors Yijun Liang, Hengguang Zhou, Ming Li, Lichen Li, Cho-Jui Hsieh, Tianyi Zhou
Machine Learning · Cross-listed from cond-mat.dis-nn
Low-variance estimators overcome the phase-gradient bottleneck in complex-valued neural quantum states
Yi-Ran Xue, Rui Wang, Baigeng Wang et al. (+1 more)
Complex neural
quantum states are difficult to optimize when their wavefunction phase carries gauge,
chiral, fermionic, or topological structure. We show that the major failure mode is not only ansatz expressivity, but the Monte Carlo
estimator used to learn this phase. For separated amplitude-phase states, differentiating the local energy at fixed samples gives a different unbiased
estimator of the same variational Monte Carlo phase force, without changing the objective. We further extend the construction to coupled two-head networks by keeping the amplitude-gradient contribution and applying the direct derivative only to the phase path. An adaptive minimum-variance mixture interpolates between standard and direct
estimators during training. Across flux ladders,
chiral chains, two-dimensional flux cylinders, an interacting
fermion ladder, shared-network controls, and a fractional
quantum Hall benchmark, the resulting
estimators reduce phase-gradient variance, suppress seed failures, and often move multi-percent standard-gradient plateaus to sub-percent accuracy.
Read the full abstract ▾
All authors Yi-Ran Xue, Rui Wang, Baigeng Wang, Chenan Wei