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Appendix 420 A Missing Proofs of Section 4 421

Neural Information Processing Systems

We start by proving statement (ii). We now prove statement (iii). The last constraint is trivially satisfied. This can be easily shown by induction. 's constraint remains equal when Let's pick such a branching Moreover, observe that every edge in B is tight.




Graph Denoising Diffusion for Inverse Protein Folding

Neural Information Processing Systems

Moreover, we utilize amino acid replacement matrices for the diffusion forward process, encoding the biologically meaningful prior knowledge of amino acids from their spatial and sequential neighbors as well as themselves, which reduces the sampling space of the generative process.


Learning the Latent Causal Structure for Modeling Label Noise

Neural Information Processing Systems

In label-noise learning, the noise transition matrix reveals how an instance transitions from its clean label to its noisy label. Accurately estimating an instance's noise transition matrix is crucial for estimating its clean label. However, when only a noisy dataset is available, noise transition matrices can be estimated only for some special instances. To leverage these estimated transition matrices to help estimate the transition matrices of other instances, it is essential to explore relations between the matrices of these special instances and those of others. Existing studies typically build the relation by explicitly defining the similarity between the estimated noise transition matrices of special instances and those of other instances.


Are Anchor Points Really Indispensable in Label-Noise Learning?

Neural Information Processing Systems

In label-noise learning, the \textit{noise transition matrix}, denoting the probabilities that clean labels flip into noisy labels, plays a central role in building \textit{statistically consistent classifiers}. Existing theories have shown that the transition matrix can be learned by exploiting \textit{anchor points} (i.e., data points that belong to a specific class almost surely). However, when there are no anchor points, the transition matrix will be poorly learned, and those previously consistent classifiers will significantly degenerate. In this paper, without employing anchor points, we propose a \textit{transition-revision} ($T$-Revision) method to effectively learn transition matrices, leading to better classifiers. Specifically, to learn a transition matrix, we first initialize it by exploiting data points that are similar to anchor points, having high \textit{noisy class posterior probabilities}. Then, we modify the initialized matrix by adding a \textit{slack variable}, which can be learned and validated together with the classifier by using noisy data. Empirical results on benchmark-simulated and real-world label-noise datasets demonstrate that without using exact anchor points, the proposed method is superior to state-of-the-art label-noise learning methods.


Estimating Noise Transition Matrix with Label Correlations for Noisy Multi-Label Learning

Neural Information Processing Systems

In label-noise learning, the noise transition matrix, bridging the class posterior for noisy and clean data, has been widely exploited to learn statistically consistent classifiers. The effectiveness of these algorithms relies heavily on estimating the transition matrix. Recently, the problem of label-noise learning in multi-label classification has received increasing attention, and these consistent algorithms can be applied in multi-label cases. However, the estimation of transition matrices in noisy multi-label learning has not been studied and remains challenging, since most of the existing estimators in noisy multi-class learning depend on the existence of anchor points and the accurate fitting of noisy class posterior. To address this problem, in this paper, we first study the identifiability problem of the class-dependent transition matrix in noisy multi-label learning, and then inspired by the identifiability results, we propose a new estimator by exploiting label correlations without neither anchor points nor accurate fitting of noisy class posterior. Specifically, we estimate the occurrence probability of two noisy labels to get noisy label correlations. Then, we perform sample selection to further extract information that implies clean label correlations, which is used to estimate the occurrence probability of one noisy label when a certain clean label appears. By utilizing the mismatch of label correlations implied in these occurrence probabilities, the transition matrix is identifiable, and can then be acquired by solving a simple bilinear decomposition problem. Empirical results demonstrate the effectiveness of our estimator to estimate the transition matrix with label correlations, leading to better classification performance.


Structured Denoising Diffusion Models in Discrete State-Spaces

Neural Information Processing Systems

Denoising diffusion probabilistic models (DDPMs) [Ho et al. 2021] have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs), diffusion-like generative models for discrete data that generalize the multinomial diffusion model of Hoogeboom et al. [2021], by going beyond corruption processes with uniform transition probabilities. This includes corruption with transition matrices that mimic Gaussian kernels in continuous space, matrices based on nearest neighbors in embedding space, and matrices that introduce absorbing states. The third allows us to draw a connection between diffusion models and autoregressive and mask-based generative models. We show that the choice of transition matrix is an important design decision that leads to improved results in image and text domains. We also introduce a new loss function that combines the variational lower bound with an auxiliary cross entropy loss. For text, this model class achieves strong results on character-level text generation while scaling to large vocabularies on LM1B. On the image dataset CIFAR-10, our models approach the sample quality and exceed the log-likelihood of the continuous-space DDPM model.