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Unsupervised Thermodynamics of Molecular Diffusion Models: Action-Operator Semantics and Auditable Free-Energy Readout
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Diffusion models are increasingly utilized for modeling molecular structures and conformational ensembles, yet the thermodynamic meaning of their learned representations and scores remains elusive....
A Coherence Law for Trainability in Noisy Equivariant Quantum Neural Networks
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Symmetry provides a quantum neural network structure, but on its own it does not keep the network trainable once noise is present. We ask which physical quantity decides whether the gradients of an...
Modeling Cell-Cycle-Aware Single-Cell Drug Perturbation Responses
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Single-cell drug perturbation models should predict not only transcriptional response magnitude, but also whether a treatment alters the proliferative state of a cell. This is challenging because...
CryoZip: An Efficient Cryogenic Compressor for Quantum Error Correction Syndromes
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Scaling fault tolerant quantum computing is increasingly constrained by the limited bandwidth and power budget across the 4 K to room temperature (RT) interface. We present CryoZip, a cross stack...
Separation Capacity of Scattering Networks
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In this paper, we attempt to enhance the theoretical understanding of convolutional neural networks (CNNs) as feature extractors in classification tasks by analyzing them through the lens of...
Joint Chance Constrained Safe-Optimal Control
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We consider the finite-time optimal control of stochastic systems subject to a probabilistic constraint on the trajectories' safety. Such formulations are known as joint chance constrained...
$texttt{bucket-graph-spprc}$: an extensible C++ library for the shortest path problem with resource constraints
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We present $\texttt{bucket-graph-spprc}$ ($\texttt{bgspprc}$ for short), an open-source, header-only C++23 library for the shortest path problem with resource constraints (SPPRC), the pricing...
Dynamic Prediction of Alternating Recurrent Events via Neural Network
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Alternating recurrent events -- event-times of a specific nature that trigger a secondary refractory period -- occur in a wide-range of fields, including behavioral science, criminal justice, and...
Structure-Regularized Interpretable TCR-Epitope Prediction
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T cell receptor (TCR)-epitope binding prediction is essential for understanding adaptive immunity and developing immunotherapies. Existing sequence- and structure-based models often generalize poorly...
SGD at the Edge of Stability: Stochastic Stabilization with Large Learning Rates
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Modern deep learning has been shown to operate at the edge of stability, routinely using learning rates far larger than those justified by classical optimization theory. Most prior analyses of the...
Preserving Speech-to-Text LLM Capabilities in Speech-to-Speech Generation
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Strong speech-to-text (S2T) LLMs already provide robust speech perception and text reasoning, but adding speech-to-speech (S2S) output is challenging: fine-tuning the backbone can degrade the...
ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table
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Advances in deep learning architectures and representations have enabled ML-driven chemical property prediction, but state-of-the-art (SOTA) models have remained largely confined to independent...
Robust Aggregation of Calibrated Forecasts
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Decision-makers often rely on multiple probabilistic forecasts that are individually calibrated but need not be fully informative. We develop a framework for aggregating such forecasts when the...
Beyond binary scission: a generalized three-species cascade breakage model for wormlike micellar solutions
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Wormlike micellar fluids exhibit complex rheological behavior driven by the continuous breakage and recombination of self-assembled micellar networks. Existing two-species models provide a coarse...
Quantum Derivative Pricing for SPDEs via BDSDE Representation
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We study quantum speedups of derivative pricing for stochastic partial differential equation (SPDE) models through their backward doubly stochastic differential equation (BDSDE) representations. We...
Accelerating Merge with Motion Vector Difference via Filter Difference Analysis for VVenC
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Merge with Motion Vector Difference (MMVD) is a key coding tool in Versatile Video Coding for improving motion prediction accuracy. However, its exhaustive search strategy imposes a significant...
MNAR-$k$-means: A $k$-means Clustering for Data Missing Not at Random with Magnitude-Decaying Probability
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The classical $k$-means clustering, based on distances computed from all data features, cannot be directly applied to incomplete data with missing values. A natural extension of $k$-means to missing...
Minimizing Quantized Semantic Age of Information (QSAoI) in Foundation Model-Based Semantic Communications
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The emerging techniques of semantic communications and edge computing in 6G networks necessitate a paradigm shift toward co-designed semantic-aware and adaptive resource allocation for short-packet...
Projection Operator Stochastic Equations for Non-Markovian Quantum Systems Under Continuous Measurement-Based Feedback
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Quantum Markov models have been successfully used to accurately model various physical quantum systems in fields such as quantum optics, optomechanics and superconducting circuits and they provide...
PGUDA: Pressure-Guided Unsupervised Domain Adaptation with Cross-Modal Knowledge Distillation for sEMG-Based Gesture Recognition
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Surface electromyography (sEMG)-based gesture recognition has emerged as a promising technology for natural human-computer interaction. However, its practical deployment remains challenging due to...
From Materials Database to Materials Bank: Assetizing Data for AI Driven Materials Innovation
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Driven by high-throughput experimentation, computational modeling, and artificial intelligence (AI), materials data has expanded at an unprecedented rate. Conventional materials databases function...
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