spectra
f66340d6f28dae6aab0176892c9065e7-Supplemental-Conference.pdf
Once closed-form expressions for these Jacobians are derived, it remains to substitute those expressions into (16). The following identity (often termed the "vec" rule) will To depict the spatial topographies of the latent components measured on the EEG and fMRI analyses, the "forward-model" [ The results of the comparison are shown in Fig S1, where it is clear that the signal fidelity of the GCs (right panel) significantly exceeds those yielded by PCA (left) and ICA (middle). GCA is only able to recover sources with temporal dependencies (i.e., s Both the single electrodes and Granger components exhibit two pronounced peaks in the spectra: one near 2 Hz ("delta" Fig S3 shows the corresponding result for the left motor imagery condition. EEG motor imagery dataset described in the main text. For each technique, the first 6 components are presented.
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What Trace Powers Reveal About Log-Determinants: Closed-Form Estimators, Certificates, and Failure Modes
Computing $\log\det(A)$ for large symmetric positive definite matrices arises in Gaussian process inference and Bayesian model comparison. Standard methods combine matrix-vector products with polynomial approximations. We study a different model: access to trace powers $p_k = \tr(A^k)$, natural when matrix powers are available. Classical moment-based approximations Taylor-expand $\log(λ)$ around the arithmetic mean. This requires $|λ- \AM| < \AM$ and diverges when $κ> 4$. We work instead with the moment-generating function $M(t) = \E[X^t]$ for normalized eigenvalues $X = λ/\AM$. Since $M'(0) = \E[\log X]$, the log-determinant becomes $\log\det(A) = n(\log \AM + M'(0))$ -- the problem reduces to estimating a derivative at $t = 0$. Trace powers give $M(k)$ at positive integers, but interpolating $M(t)$ directly is ill-conditioned due to exponential growth. The transform $K(t) = \log M(t)$ compresses this range. Normalization by $\AM$ ensures $K(0) = K(1) = 0$. With these anchors fixed, we interpolate $K$ through $m+1$ consecutive integers and differentiate to estimate $K'(0)$. However, this local interpolation cannot capture arbitrary spectral features. We prove a fundamental limit: no continuous estimator using finitely many positive moments can be uniformly accurate over unbounded conditioning. Positive moments downweight the spectral tail; $K'(0) = \E[\log X]$ is tail-sensitive. This motivates guaranteed bounds. From the same traces we derive upper bounds on $(\det A)^{1/n}$. Given a spectral floor $r \leq λ_{\min}$, we obtain moment-constrained lower bounds, yielding a provable interval for $\log\det(A)$. A gap diagnostic indicates when to trust the point estimate and when to report bounds. All estimators and bounds cost $O(m)$, independent of $n$. For $m \in \{4, \ldots, 8\}$, this is effectively constant time.
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AdaNovo: Towards Robust De Novo Peptide Sequencing in Proteomics against Data Biases Jun Xia
Despite the development of several deep learning methods for predicting amino acid sequences (peptides) responsible for generating the observed mass spectra, training data biases hinder further advancements of de novo peptide sequencing. Firstly, prior methods struggle to identify amino acids with Post-Translational Modifications (PTMs) due to their lower frequency in training data compared to canonical amino acids, further resulting in unsatisfactory peptide sequencing performance. Secondly, various noise and missing peaks in mass spectra reduce the reliability of training data (Peptide-Spectrum Matches, PSMs).
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Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the molecular structure, including the presence or absence of functional groups.
Spectra of the Conjugate Kernel and Neural Tangent Kernel for linear-width neural networks
We study the eigenvalue distributions of the Conjugate Kernel and Neural Tangent Kernel associated to multi-layer feedforward neural networks. In an asymptotic regime where network width is increasing linearly in sample size, under random initialization of the weights, and for input samples satisfying a notion of approximate pairwise orthogonality, we show that the eigenvalue distributions of the CK and NTK converge to deterministic limits. The limit for the CK is described by iterating the Marcenko-Pastur map across the hidden layers. The limit for the NTK is equivalent to that of a linear combination of the CK matrices across layers, and may be described by recursive fixed-point equations that extend this Marcenko-Pastur map. We demonstrate the agreement of these asymptotic predictions with the observed spectra for both synthetic and CIFAR-10 training data, and we perform a small simulation to investigate the evolutions of these spectra over training.