2,782 research outputs found
A machine learning route between band mapping and band structure
The electronic band structure (BS) of solid state materials imprints the
multidimensional and multi-valued functional relations between energy and
momenta of periodically confined electrons. Photoemission spectroscopy is a
powerful tool for its comprehensive characterization. A common task in
photoemission band mapping is to recover the underlying quasiparticle
dispersion, which we call band structure reconstruction. Traditional methods
often focus on specific regions of interests yet require extensive human
oversight. To cope with the growing size and scale of photoemission data, we
develop a generic machine-learning approach leveraging the information within
electronic structure calculations for this task. We demonstrate its capability
by reconstructing all fourteen valence bands of tungsten diselenide and
validate the accuracy on various synthetic data. The reconstruction uncovers
previously inaccessible momentum-space structural information on both global
and local scales in conjunction with theory, while realizing a path towards
integrating band mapping data into materials science databases
Scalable and Sustainable Deep Learning via Randomized Hashing
Current deep learning architectures are growing larger in order to learn from
complex datasets. These architectures require giant matrix multiplication
operations to train millions of parameters. Conversely, there is another
growing trend to bring deep learning to low-power, embedded devices. The matrix
operations, associated with both training and testing of deep networks, are
very expensive from a computational and energy standpoint. We present a novel
hashing based technique to drastically reduce the amount of computation needed
to train and test deep networks. Our approach combines recent ideas from
adaptive dropouts and randomized hashing for maximum inner product search to
select the nodes with the highest activation efficiently. Our new algorithm for
deep learning reduces the overall computational cost of forward and
back-propagation by operating on significantly fewer (sparse) nodes. As a
consequence, our algorithm uses only 5% of the total multiplications, while
keeping on average within 1% of the accuracy of the original model. A unique
property of the proposed hashing based back-propagation is that the updates are
always sparse. Due to the sparse gradient updates, our algorithm is ideally
suited for asynchronous and parallel training leading to near linear speedup
with increasing number of cores. We demonstrate the scalability and
sustainability (energy efficiency) of our proposed algorithm via rigorous
experimental evaluations on several real datasets
Machine Learning and Integrative Analysis of Biomedical Big Data.
Recent developments in high-throughput technologies have accelerated the accumulation of massive amounts of omics data from multiple sources: genome, epigenome, transcriptome, proteome, metabolome, etc. Traditionally, data from each source (e.g., genome) is analyzed in isolation using statistical and machine learning (ML) methods. Integrative analysis of multi-omics and clinical data is key to new biomedical discoveries and advancements in precision medicine. However, data integration poses new computational challenges as well as exacerbates the ones associated with single-omics studies. Specialized computational approaches are required to effectively and efficiently perform integrative analysis of biomedical data acquired from diverse modalities. In this review, we discuss state-of-the-art ML-based approaches for tackling five specific computational challenges associated with integrative analysis: curse of dimensionality, data heterogeneity, missing data, class imbalance and scalability issues
Parallel processing and expert systems
Whether it be monitoring the thermal subsystem of Space Station Freedom, or controlling the navigation of the autonomous rover on Mars, NASA missions in the 1990s cannot enjoy an increased level of autonomy without the efficient implementation of expert systems. Merely increasing the computational speed of uniprocessors may not be able to guarantee that real-time demands are met for larger systems. Speedup via parallel processing must be pursued alongside the optimization of sequential implementations. Prototypes of parallel expert systems have been built at universities and industrial laboratories in the U.S. and Japan. The state-of-the-art research in progress related to parallel execution of expert systems is surveyed. The survey discusses multiprocessors for expert systems, parallel languages for symbolic computations, and mapping expert systems to multiprocessors. Results to date indicate that the parallelism achieved for these systems is small. The main reasons are (1) the body of knowledge applicable in any given situation and the amount of computation executed by each rule firing are small, (2) dividing the problem solving process into relatively independent partitions is difficult, and (3) implementation decisions that enable expert systems to be incrementally refined hamper compile-time optimization. In order to obtain greater speedups, data parallelism and application parallelism must be exploited
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