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Authors:Duy-Tung Pham, Thien Trang Nguyen Vu, Tung Nguyen, Linh Ngo Van, Duc Anh Nguyen, Thien Huu Nguyen

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Abstract:Recent advances in neural topic models have concentrated on two primary directions: the integration of the inference network (encoder) with a pre-trained language model (PLM) and the modeling of the relationship between words and topics in the generative model (decoder). However, the use of large PLMs significantly increases inference costs, making them less practical for situations requiring low inference times. Furthermore, it is crucial to simultaneously model the relationships between topics and words as well as the interrelationships among topics themselves. In this work, we propose a novel framework called NeuroMax (Neural Topic Model with Maximizing Mutual Information with Pretrained Language Model and Group Topic Regularization) to address these challenges. NeuroMax maximizes the mutual information between the topic representation obtained from the encoder in neural topic models and the representation derived from the PLM. Additionally, NeuroMax employs optimal transport to learn the relationships between topics by analyzing how information is transported among them. Experimental results indicate that NeuroMax reduces inference time, generates more coherent topics and topic groups, and produces more representative document embeddings, thereby enhancing performance on downstream tasks.

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Abstract:The notion of neural collapse refers to several emergent phenomena that have been empirically observed across various canonical classification problems. During the terminal phase of training a deep neural network, the feature embedding of all examples of the same class tend to collapse to a single representation, and the features of different classes tend to separate as much as possible. Neural collapse is often studied through a simplified model, called the unconstrained feature representation, in which the model is assumed to have "infinite expressivity" and can map each data point to any arbitrary representation. In this work, we propose a more realistic variant of the unconstrained feature representation that takes the limited expressivity of the network into account. Empirical evidence suggests that the memorization of noisy data points leads to a degradation (dilation) of the neural collapse. Using a model of the memorization-dilation (M-D) phenomenon, we show one mechanism by which different losses lead to different performances of the trained network on noisy data. Our proofs reveal why label smoothing, a modification of cross-entropy empirically observed to produce a regularization effect, leads to improved generalization in classification tasks.

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Abstract:Predicting drug-drug interactions (DDI) is the problem of predicting side effects (unwanted outcomes) of a pair of drugs using drug information and known side effects of many pairs. This problem can be formulated as predicting labels (i.e. side effects) for each pair of nodes in a DDI graph, of which nodes are drugs and edges are interacting drugs with known labels. State-of-the-art methods for this problem are graph neural networks (GNNs), which leverage neighborhood information in the graph to learn node representations. For DDI, however, there are many labels with complicated relationships due to the nature of side effects. Usual GNNs often fix labels as one-hot vectors that do not reflect label relationships and potentially do not obtain the highest performance in the difficult cases of infrequent labels. In this paper, we formulate DDI as a hypergraph where each hyperedge is a triple: two nodes for drugs and one node for a label. We then present CentSmoothie, a hypergraph neural network that learns representations of nodes and labels altogether with a novel central-smoothing formulation. We empirically demonstrate the performance advantages of CentSmoothie in simulations as well as real datasets.

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Abstract:We present CartoonX (Cartoon Explanation), a novel model-agnostic explanation method tailored towards image classifiers and based on the rate-distortion explanation (RDE) framework. Natural images are roughly piece-wise smooth signals -- also called cartoon images -- and tend to be sparse in the wavelet domain. CartoonX is the first explanation method to exploit this by requiring its explanations to be sparse in the wavelet domain, thus extracting the \emph{relevant piece-wise smooth} part of an image instead of relevant pixel-sparse regions. We demonstrate experimentally that CartoonX is not only highly interpretable due to its piece-wise smooth nature but also particularly apt at explaining misclassifications.

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Abstract:We present the Rate-Distortion Explanation (RDE) framework, a mathematically well-founded method for explaining black-box model decisions. The framework is based on perturbations of the target input signal and applies to any differentiable pre-trained model such as neural networks. Our experiments demonstrate the framework's adaptability to diverse data modalities, particularly images, audio, and physical simulations of urban environments.

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