Detecting and Discriminating Operator Misspecification in Hybrid PDE-Parameter Learning: a Reference-Free Instrument, with Discrimination Bounded In Sample
We build an instrument that reads, from a single fit and with no oracle, whether the operator a hybrid PDE-parameter estimator postulates is wrong-and separates that from a merely unidentifiable parameter. On one self-adjoint parabolic inverse problem, an information-matrix statistic with plug-in scale and per-seed parameter has median 0.19 under correct specification, rejection rate $0.033$ against a pre-registered ceiling of $0.10$, and rises to $224$ and $85$ under two misspecifications, firing in every replicate. On a correctly specified but non-identifiable design it stays mute-$0.050$ at $n=200$, Clopper-Pearson $[0.024, 0.090]$-while a rank statistic collapses to zero at a pre-registered boundary $c_5^*=2.15\times10^{-3}.$ Two readings of one fit therefore separate the two failures across the three designs a deployable test reaches. That separation is the contribution; detection alone is a crowded flank. In sample it is a bound, out of sample a direction. It is needed because the usual accuracy check is blind: the misspecified estimator's in-domain RMSE is $2.7\times 10^{-2}$, below the observation noise for $\sigma\geq 0.05,$ while the coefficient is wrong by $29.7\%$ at zero noise, $31.2\%$ at the loudest. Nor is the failure architectural: a one-parameter curve fit, a bare parameter and multilayer perceptrons of $49$ and $241$ parameters converge to the same pseudo-true, matched in closed form to $0.07\%,$ whereas a physics-informed network, with its composite objective, converges to a disjoint one. We report where the instrument is blind, a pre-registered negative where a neural estimator loses to Tikhonov-regularized inversion at recovery, and the hypothesis under which its guarantee holds but a trained network violates it.
This work introduces a pioneering exploration of Self-Supervised Learning (SSL) within the SNN, and proposes a novel Spiking Self-Attention (SSA) and Spiking Transformer (Spikformer) that achieves 80+% accuracy on ImageNet.
Zhaokun Zhou, Kaiwei Che, Wei Fang et al.· arXiv.org· 69 citations· ⚡10
EquiPocket is proposed, an E(3)-equivariant Graph Neural Network for binding site prediction, which comprises three modules: the first one to extract local geometric information for each surface atom, the second one to model both the chemical and spatial structure of protein and the last one to capture the geometry of the surface via equivariant message passing over the surface atoms.
Yang Zhang, Wenbing Huang, Zhewei Wei et al.· International Conference on...· 43 citations· ⚡4
It is shown that the maximum hypergraph density of any multiclass hypothesis class is upper-bounded by its DS dimension, which proves a longstanding conjecture of Daniely and Shalev-Shwartz (2014) and determines the optimal dependence of the sample complexity on the DS dimension for multiclass as well as list learning.
Quantum measurements are the means by which we recover messages encoded into quantum states. They are at the forefront of quantum hypothesis testing, wherein the goal is to perform an optimal measurement for arriving at a correct conclusion. Mathematically, a measurement operator is Hermitian with eigenvalues in [0,1]. By noticing that this constraint on each eigenvalue is the same as that imposed on fermions by the Pauli exclusion principle, we interpret every eigenmode of a measurement operator as an independent effective fermionic mode. Under this perspective, various objective functions in quantum hypothesis testing can be viewed as the total expected energy associated with these fermionic occupation numbers. By instead fixing a temperature and minimizing the total expected fermionic free energy, we find that optimal measurements for these modified objective functions are Fermi-Dirac thermal measurements, wherein their eigenvalues are specified by Fermi-Dirac distributions. In the low-temperature limit, their performance closely approximates that of optimal measurements for quantum hypothesis testing, and we show that their parameters can be learned by classical or hybrid quantum-classical optimization algorithms. This leads to a new quantum machine-learning model, termed Fermi-Dirac machines, consisting of parameterized Fermi-Dirac thermal measurements-an alternative to quantum Boltzmann machines based on thermal states. Beyond hypothesis testing, we show how general semidefinite optimization problems can be solved using this approach, leading to a novel paradigm for semidefinite optimization on quantum computers, in which the goal is to implement thermal measurements rather than prepare thermal states. Finally, we propose quantum algorithms for implementing Fermi-Dirac thermal measurements, and we also propose second-order hybrid quantum-classical optimization algorithms.
This systematic review evaluates 55 studies from 2017 to 2023 on the application of machine learning techniques to ASD, highlighting key challenges and opportunities, particularly the need for models that can integrate complex data to improve diagnostic accuracy and treatment outcomes.
Rafael Muñoz-Terol, Jesús Peral, Sandra Amador et al.· Heliyon· 4 citations· ⚡1
SimulRAG, a simulator-based RAG framework with a generalized retrieval interface that translates between text and simulator parameters/outputs, is proposed, which improves informativeness and factuality over the strongest adapted RAG baselines, while UE+SBA enhances claim-level efficiency and quality.
Haozhou Xu, D. Wu, M. Chinazzi et al.· arXiv.org· 3 citations
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MIT News · Artificial Intelligence· news.mit.eduAug 18, 2026
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.
