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Related papers: Knowledge-informed Molecular Learning: A Survey on…

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The burgeoning complexity of contemporary deep learning models, while achieving unparalleled accuracy, has inadvertently introduced deployment challenges in resource-constrained environments. Knowledge distillation, a technique aiming to…

Machine Learning · Computer Science 2023-10-05 Sia Gholami , Marwan Omar

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

New technologies have led to vast troves of large and complex datasets across many scientific domains and industries. People routinely use machine learning techniques to not only process, visualize, and make predictions from this big data,…

Machine Learning · Statistics 2023-08-04 Genevera I. Allen , Luqin Gan , Lili Zheng

Many real-world domains can be expressed as graphs and, more generally, as multi-relational knowledge graphs. Though reasoning and learning with knowledge graphs has traditionally been addressed by symbolic approaches, recent methods in…

Artificial Intelligence · Computer Science 2020-03-25 Sebastijan Dumancic , Alberto Garcia-Duran , Mathias Niepert

Molecular representations fundamentally shape how machine learning systems reason about molecular structure and physical properties. Most existing approaches adopt a discrete pipeline: molecules are encoded as sequences, graphs, or point…

Today, deep learning represents the most popular and successful form of machine learning. Deep learning has revolutionised the field of pattern recognition, including biometric recognition. Biometric systems utilising deep learning have…

Computer Vision and Pattern Recognition · Computer Science 2023-03-07 Christian Rathgeb , Jascha Kolberg , Andreas Uhl , Christoph Busch

Quantum Machine Learning represents a paradigm shift at the intersection of Quantum Computing and Machine Learning, leveraging quantum phenomena such as superposition, entanglement, and quantum parallelism to address the limitations of…

Quantum Physics · Physics 2025-01-17 Sahil Tomar , Rajeshwar Tripathi , Sandeep Kumar

Pre-training a deep neural network on the ImageNet dataset is a common practice for training deep learning models, and generally yields improved performance and faster training times. The technique of pre-training on one task and then…

Machine Learning · Computer Science 2020-01-03 Nishai Kooverjee , Steven James , Terence van Zyl

Machine learning has long since become a keystone technology, accelerating science and applications in a broad range of domains. Consequently, the notion of applying learning methods to a particular problem set has become an established and…

Advances in high-throughput technologies have originated an ever-increasing availability of omics datasets. The integration of multiple heterogeneous data sources is currently an issue for biology and bioinformatics. Multiple kernel…

Machine Learning · Statistics 2024-12-04 Mitja Briscik , Gabriele Tazza , Marie-Agnes Dillies , László Vidács , Sébastien Dejean

We conduct investigations on clinical text machine translation by examining multilingual neural network models using deep learning such as Transformer based structures. Furthermore, to address the language resource imbalance issue, we also…

Computation and Language · Computer Science 2024-02-22 Lifeng Han , Serge Gladkoff , Gleb Erofeev , Irina Sorokina , Betty Galiano , Goran Nenadic

The rise of deep neural networks has led to several breakthroughs for semantic segmentation. In spite of this, a model trained on source domain often fails to work properly in new challenging domains, that is directly concerned with the…

Computer Vision and Pattern Recognition · Computer Science 2022-05-31 Jin Kim , Jiyoung Lee , Jungin Park , Dongbo Min , Kwanghoon Sohn

Large Language Models (LLMs) encounter challenges with the unique syntax of specific domains, such as biomolecules. Existing fine-tuning or modality alignment techniques struggle to bridge the domain knowledge gap and understand complex…

Biomolecules · Quantitative Biology 2024-06-28 Jinzhe Liu , Xiangsheng Huang , Zhuo Chen , Yin Fang

The hypothesis that computational models can be reliable enough to be adopted in prognosis and patient care is revolutionizing healthcare. Deep learning, in particular, has been a game changer in building predictive models, thus leading to…

Machine Learning · Statistics 2019-06-17 Jayaraman J. Thiagarajan , Deepta Rajan , Prasanna Sattigeri

Language Models (LMs) encode substantial knowledge in their parameters, yet it remains unclear how to transfer such knowledge in a fine-grained manner, namely parametric knowledge transfer (PKT). A central challenge is to make cross-scale…

Computation and Language · Computer Science 2026-05-19 Jian Gu , Aldeida Aleti , Chunyang Chen , Hongyu Zhang

Chemical representations derived from deep learning are emerging as a powerful tool in areas such as drug discovery and materials innovation. Currently, this methodology has three major limitations - the cost of representation generation,…

Chemical Physics · Physics 2018-09-18 Clyde Fare , Lukas Turcani , Edward O. Pyzer-Knapp

Multimodal learning has been a field of increasing interest, aiming to combine various modalities in a single joint representation. Especially in the area of visiolinguistic (VL) learning multiple models and techniques have been developed,…

Machine Learning · Computer Science 2024-03-26 Maria Lymperaiou , Giorgos Stamou

We present a novel machine learning approach to understanding conformation dynamics of biomolecules. The approach combines kernel-based techniques that are popular in the machine learning community with transfer operator theory for…

Computational Physics · Physics 2019-01-24 Stefan Klus , Andreas Bittracher , Ingmar Schuster , Christof Schütte

Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional…

In the era of deep learning (DL), convolutional neural networks (CNNs), and large language models (LLMs), machine learning (ML) models are becoming increasingly complex, demanding significant computational resources for both inference and…

Machine Learning · Computer Science 2024-05-27 Madison Threadgill , Andreas Gerstlauer
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