Complementarity plays a significant role in the synergistic effect created by different components of a complex data object. Complementarity learning on multimodal data has fundamental challenges of representation learning because the complementarity exists along with multiple modalities and one or multiple items of each modality. Also, an appropriate metric is needed for measuring the complementarity in the representation space. Existing methods that rely on similarity-based metrics cannot adequately capture the complementarity. In this work, we propose a novel deep architecture for systematically learning the complementarity of components from multimodal multi-item data. The proposed model consists of three major modules: 1) unimodal aggregation for extracting the intramodal complementarity; 2) cross-modal fusion for extracting the intermodal complementarity at the modality level; and 3) interactive aggregation for extracting the intermodal complementarity at the item level. To quantify complementarity, we utilize the TUBE distance metric to measure the difference between the composited data object and its label in the representation space. Experiments on three real datasets show that our model outperforms the state-of-the-art by +6.8% of mean reciprocal rank (MRR) on object classification and +3.0% of MRR on hold-out item prediction. Qualitative analyses reveal that complementarity is significantly different from similarity.
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http://dx.doi.org/10.1109/TNNLS.2022.3165180 | DOI Listing |
J Phys Chem B
January 2025
Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Computationally designed 29-residue peptides yield tetra-α-helical bundles with symmetry. The "bundlemers" can be bifunctionally linked via thiol-maleimide cross-links at their N-termini, yielding supramolecular polymers with unusually large, micrometer-scale persistence lengths. To provide a molecularly resolved understanding of these systems, all-atom molecular modeling and simulations of linked bundlemers in explicit solvent are presented.
View Article and Find Full Text PDFDrug discovery continues to face a staggering 90% failure rate, with many setbacks occurring during late-stage clinical trials. To address this challenge, there is an increasing focus on developing and evaluating new technologies to enhance the "design" and "test" phases of antibody-based drugs (e.g.
View Article and Find Full Text PDFHeliyon
January 2025
Department of Bioinformatics, Manipal School of Life Sciences, Manipal Academy of Higher Education, Manipal, India.
The myeloid-specific triggering receptors expressed on myeloid cells 2 (TREM2) is a group of class I receptors expressed in brain microglia plays a decisive role in neurodegenerative diseases such as Alzheimer's disease (AD) and Nasu Hakola disease (NHD). The extracellular domain (ECD) of TREM2 interacts with a wide-range of ligands, yet the molecular mechanism underlying recognition of such ligands to this class I receptor remains underexplored. Herein, we undertook a systematic investigation for exploring the mode of ligand recognition in immunoglobulin-like ectodomain by employing both knowledge-based and machine-learning guided molecular docking approach followed by the state-of-the-art all atoms molecular dynamics (MD) simulations.
View Article and Find Full Text PDFFront Public Health
January 2025
National AIDS Commission, Executive Management Division, Lilongwe, Malawi.
Background: Increased taxation on alcohol and tobacco is among the cost-effective measures used to deal with the burden of noncommunicable diseases (NCDs) globally. Despite adopting such efforts, the impacts of taxation on alcohol and tobacco are yet to be fully understood.
Objective: The study's objective is to find empirical evidence regarding changes in the NCD mortality rate associated with changes in the tax rates of tobacco and alcohol.
Ecology
January 2025
School of Life Sciences, Hebei University, Baoding, China.
Nitrogen (N) retention is a critical ecosystem function associated with sustainable N supply. Lack of experimental evidence limits our understanding of how grassland N retention can vary with soil acidification. A N-labeling experiment was conducted for 2 years to quantify N retention by soil pathways and plant functional groups across a soil-acidification gradient in a meadow.
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