structural context
Contextual Gating within the Transformer Stack: Synergistic Feature Modulation for Enhanced Lyrical Classification and Calibration
This study introduces a significant architectural advancement in feature fusion for lyrical content classification by integrating auxiliary structural features directly into the self-attention mechanism of a pre-trained Transformer. I propose the SFL Transformer, a novel deep learning model that utilizes a Contextual Gating mechanism (an Intermediate SFL) to modulate the sequence of hidden states within the BERT encoder stack, rather than fusing features at the final output layer. This approach modulates the deep, contextualized semantic features (Hseq) using low-dimensional structural cues (Fstruct). The model is applied to a challenging binary classification task derived from UMAP-reduced lyrical embeddings. The SFL Transformer achieved an Accuracy of 0.9910 and a Macro F1 score of 0.9910, significantly improving the state-of-the-art established by the previously published SFL model (Accuracy 0.9894). Crucially, this Contextual Gating strategy maintained exceptional reliability, with a low Expected Calibration Error (ECE = 0.0081) and Log Loss (0.0489). This work validates the hypothesis that injecting auxiliary context mid-stack is the most effective means of synergistically combining structural and semantic information, creating a model with both superior discriminative power and high-fidelity probability estimates.
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model
Liu, Shiwei, Zhu, Tian, Ren, Milong, Yu, Chungong, Bu, Dongbo, Zhang, Haicang
Many crucial biological processes rely on networks of protein-protein interactions. Predicting the effect of amino acid mutations on protein-protein binding is vital in protein engineering and therapeutic discovery. However, the scarcity of annotated experimental data on binding energy poses a significant challenge for developing computational approaches, particularly deep learning-based methods. In this work, we propose SidechainDiff, a representation learning-based approach that leverages unlabelled experimental protein structures. SidechainDiff utilizes a Riemannian diffusion model to learn the generative process of side-chain conformations and can also give the structural context representations of mutations on the protein-protein interface. Leveraging the learned representations, we achieve state-of-the-art performance in predicting the mutational effects on protein-protein binding. Furthermore, SidechainDiff is the first diffusion-based generative model for side-chains, distinguishing it from prior efforts that have predominantly focused on generating protein backbone structures.
Melody Infilling with User-Provided Structural Context
Tan, Chih-Pin, Su, Alvin W. Y., Yang, Yi-Hsuan
Considering composers usually write musical pieces in In recent years, machine learning techniques have been a hierarchical manner [25], we note that prompt-based conditioning widely applied to symbolic music generation. A large approaches have a strong limitation: they generate number of models attain sequential generation by accounting results with only consideration of local smoothness for only the past context, i.e., the generated music depends among the past context, future context, and result, without on only the preceding musical content [1-14]. While taking care of the overall musical form or structure of the sequential generation can find useful use cases, it does not music. For instance, a composer may like to write a song align with typical human compositional practices which in a musical form of ABA'B'. If we consider the concatenation can be non-sequential in nature. Musicians often write motifs of the segments corresponding to A and B (i.e., AB) or small pieces to get inspiration first, before working as the past context, and the segment corresponding to B' on the middle parts to connect them.
Link Prediction with Contextualized Self-Supervision
Zhang, Daokun, Yin, Jie, Yu, Philip S.
Link prediction aims to infer the existence of a link between two nodes in a network. Despite their wide application, the success of traditional link prediction algorithms is hindered by three major challenges -- link sparsity, node attribute noise and network dynamics -- that are faced by real-world networks. To overcome these challenges, we propose a Contextualized Self-Supervised Learning (CSSL) framework that fully exploits structural context prediction for link prediction. The proposed CSSL framework forms edge embeddings through aggregating pairs of node embeddings constructed via a transformation on node attributes, which are used to predict the link existence probability. To generate node embeddings tailored for link prediction, structural context prediction is leveraged as a self-supervised learning task to boost link prediction. Two types of structural contexts are investigated, i.e., context nodes collected from random walks vs. context subgraphs. The CSSL framework can be trained in an end-to-end manner, with the learning of node and edge embeddings supervised by link prediction and the self-supervised learning task. The proposed CSSL is a generic and flexible framework in the sense that it can handle both transductive and inductive link prediction settings, and both attributed and non-attributed networks. Extensive experiments and ablation studies on seven real-world benchmark graph datasets demonstrate the superior performance of the proposed self-supervision based link prediction algorithm over state-of-the-art baselines on different types of networks under both transductive and inductive settings. The proposed CSSL also yields competitive performance in terms of its robustness to node attribute noise and scalability over large-scale networks.
Dual Attention Model for Citation Recommendation
Based on an exponentially increasing number of academic articles, discovering and citing comprehensive and appropriate resources has become a non-trivial task. Conventional citation recommender methods suffer from severe information loss. For example, they do not consider the section of the paper that the user is writing and for which they need to find a citation, the relatedness between the words in the local context (the text span that describes a citation), or the importance on each word from the local context. These shortcomings make such methods insufficient for recommending adequate citations to academic manuscripts. In this study, we propose a novel embedding-based neural network called "dual attention model for citation recommendation (DACR)" to recommend citations during manuscript preparation. Our method adapts embedding of three dimensions of semantic information: words in the local context, structural contexts, and the section on which a user is working. A neural network is designed to maximize the similarity between the embedding of the three input (local context words, section and structural contexts) and the target citation appearing in the context. The core of the neural network is composed of self-attention and additive attention, where the former aims to capture the relatedness between the contextual words and structural context, and the latter aims to learn the importance of them. The experiments on real-world datasets demonstrate the effectiveness of the proposed approach.