Quantum machine learning: a classical perspective Ciliberto, Carlo; Herbster, Mark; Ialongo, Alessandro Davide ...
Proceedings - Royal Society. Mathematical, physical and engineering sciences,
01/2018, Letnik:
474, Številka:
2209
Journal Article
Recenzirano
Odprti dostop
Recently, increased computational power and data availability, as well as algorithmic advances, have led machine learning (ML) techniques to impressive results in regression, classification, data ...generation and reinforcement learning tasks. Despite these successes, the proximity to the physical limits of chip fabrication alongside the increasing size of datasets is motivating a growing number of researchers to explore the possibility of harnessing the power of quantum computation to speed up classical ML algorithms. Here we review the literature in quantum ML and discuss perspectives for a mixed readership of classical ML and quantum computation experts. Particular emphasis will be placed on clarifying the limitations of quantum algorithms, how they compare with their best classical counterparts and why quantum resources are expected to provide advantages for learning problems. Learning in the presence of noise and certain computationally hard problems in ML are identified as promising directions for the field. Practical questions, such as how to upload classical data into quantum form, will also be addressed.
•Analysis of Cultural Heritage (CH) and Machine Learning (ML) literature.•Taxonomy of ML algorithms and their respective application in CH.•Study of the interplay between CH and ML for future ...directions.
The application of Machine Learning (ML) to Cultural Heritage (CH) has evolved since basic statistical approaches such as Linear Regression to complex Deep Learning models. The question remains how much of this actively improves on the underlying algorithm versus using it within a ‘black box’ setting. We survey across ML and CH literature to identify the theoretical changes which contribute to the algorithm and in turn them suitable for CH applications. Alternatively, and most commonly, when there are no changes, we review the CH applications, features and pre/post-processing which make the algorithm suitable for its use. We analyse the dominant divides within ML, Supervised, Semi-supervised and Unsupervised, and reflect on a variety of algorithms that have been extensively used. From such an analysis, we give a critical look at the use of ML in CH and consider why CH has only limited adoption of ML.
The advent of geographic online social networks such as Foursquare, where users voluntarily signal their current location, opens the door to powerful studies on human movement. In particular the fine ...granularity of the location data, with GPS accuracy down to 10 meters, and the worldwide scale of Foursquare adoption are unprecedented. In this paper we study urban mobility patterns of people in several metropolitan cities around the globe by analyzing a large set of Foursquare users. Surprisingly, while there are variations in human movement in different cities, our analysis shows that those are predominantly due to different distributions of places across different urban environments. Moreover, a universal law for human mobility is identified, which isolates as a key component the rank-distance, factoring in the number of places between origin and destination, rather than pure physical distance, as considered in some previous works. Building on our findings, we also show how a rank-based movement model accurately captures real human movements in different cities.
Celotno besedilo
Dostopno za:
DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
Motivation: The accurate prediction of residue-residue contacts, critical for maintaining the native fold of a protein, remains an open problem in the field of structural bioinformatics. Interest in ...this long-standing problem has increased recently with algorithmic improvements and the rapid growth in the sizes of sequence families. Progress could have major impacts in both structure and function prediction to name but two benefits. Sequence-based contact predictions are usually made by identifying correlated mutations within multiple sequence alignments (MSAs), most commonly through the information-theoretic approach of calculating mutual information between pairs of sites in proteins. These predictions are often inaccurate because the true covariation signal in the MSA is often masked by biases from many ancillary indirect-coupling or phylogenetic effects. Here we present a novel method, PSICOV, which introduces the use of sparse inverse covariance estimation to the problem of protein contact prediction. Our method builds on work which had previously demonstrated corrections for phylogenetic and entropic correlation noise and allows accurate discrimination of direct from indirectly coupled mutation correlations in the MSA.
Results: PSICOV displays a mean precision substantially better than the best performing normalized mutual information approach and Bayesian networks. For 118 out of 150 targets, the L/5 (i.e. top-L/5 predictions for a protein of length L) precision for long-range contacts (sequence separation >23) was ≥0.5, which represents an improvement sufficient to be of significant benefit in protein structure prediction or model quality assessment.
Availability: The PSICOV source code can be downloaded from http://bioinf.cs.ucl.ac.uk/downloads/PSICOV
Contact:
d.jones@cs.ucl.ac.uk
Supplementary information:
Supplementary data are available at Bioinformatics online.
We consider the problem of estimating a sparse linear regression vector β * under a Gaussian noise model, for the purpose of both prediction and model selection. We assume that prior knowledge is ...available on the sparsity pattern, namely the set of variables is partitioned into prescribed groups, only few of which are relevant in the estimation process. This group sparsity assumption suggests us to consider the Group Lasso method as a means to estimate β * . We establish oracle inequalities for the prediction and ℓ 2 estimation errors of this estimator. These bounds hold under a restricted eigenvalue condition on the design matrix. Under a stronger condition, we derive bounds for the estimation error for mixed (2, p)-norms with 1 ≤ p ≤ ∞. When p = ∞, this result implies that a thresholded version of the Group Lasso estimator selects the sparsity pattern of β * with high probability. Next, we prove that the rate of convergence of our upper bounds is optimal in a minimax sense, up to a logarithmic factor, for all estimators over a class of group sparse vectors. Furthermore, we establish lower bounds for the prediction and ℓ 2 estimation errors of the usual Lasso estimator. Using this result, we demonstrate that the Group Lasso can achieve an improvement in the prediction and estimation errors as compared to the Lasso. An important application of our results is provided by the problem of estimating multiple regression equations simultaneously or multi-task learning. In this case, we obtain refinements of the results in In Proc. of the 22nd Annual Conference on Learning Theory (COLT) (2009), which allow us to establish a quantitative advantage of the Group Lasso over the usual Lasso in the multi-task setting. Finally, within the same setting, we show how our results can be extended to more general noise distributions, of which we only require the fourth moment to be finite. To obtain this extension, we establish a new maximal moment inequality, which may be of independent interest.
Failure to develop prospective motor control has been proposed to be a core phenotypic marker of autism spectrum disorders (ASD). However, whether genuine differences in prospective motor control ...permit discriminating between ASD and non-ASD profiles over and above individual differences in motor output remains unclear. Here, we combined high precision measures of hand movement kinematics and rigorous machine learning analyses to determine the true power of prospective movement data to differentiate children with autism and typically developing children. Our results show that while movement is unique to each individual, variations in the kinematic patterning of sequential grasping movements genuinely differentiate children with autism from typically developing children. These findings provide quantitative evidence for a prospective motor control impairment in autism and indicate the potential to draw inferences about autism on the basis of movement kinematics.
On Learning Vector-Valued Functions Micchelli, Charles A.; Pontil, Massimiliano
Neural computation,
01/2005, Letnik:
17, Številka:
1
Journal Article
Recenzirano
In this letter, we provide a study of learning in a Hilbert space of vector-valued functions. We motivate the need for extending learning theory of scalar-valued functions by practical considerations ...and establish some basic results for learning vector-valued functions that should prove useful in applications. Specifically, we allow an output space
to be a Hilbert space, and we consider a reproducing kernel Hilbert space of functions whose values lie in
. In this setting, we derive the form of the minimal norm interpolant to a finite set of data and apply it to study some regularization functionals that are important in learning theory. We consider specific examples of such functionals corresponding to multiple-output regularization networks and support vector machines, for both regression and classification. Finally, we provide classes of operator-valued kernels of the dot product and translation-invariant type.
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DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
Alanine scanning mutagenesis is a powerful experimental methodology for investigating the structural and energetic characteristics of protein complexes. Individual amino-acids are systematically ...mutated to alanine and changes in free energy of binding (DeltaDeltaG) measured. Several experiments have shown that protein-protein interactions are critically dependent on just a few residues ("hot spots") at the interface. Hot spots make a dominant contribution to the free energy of binding and if mutated they can disrupt the interaction. As mutagenesis studies require significant experimental efforts, there is a need for accurate and reliable computational methods. Such methods would also add to our understanding of the determinants of affinity and specificity in protein-protein recognition.
We present a novel computational strategy to identify hot spot residues, given the structure of a complex. We consider the basic energetic terms that contribute to hot spot interactions, i.e. van der Waals potentials, solvation energy, hydrogen bonds and Coulomb electrostatics. We treat them as input features and use machine learning algorithms such as Support Vector Machines and Gaussian Processes to optimally combine and integrate them, based on a set of training examples of alanine mutations. We show that our approach is effective in predicting hot spots and it compares favourably to other available methods. In particular we find the best performances using Transductive Support Vector Machines, a semi-supervised learning scheme. When hot spots are defined as those residues for which DeltaDeltaG >or= 2 kcal/mol, our method achieves a precision and a recall respectively of 56% and 65%.
We have developed an hybrid scheme in which energy terms are used as input features of machine learning models. This strategy combines the strengths of machine learning and energy-based methods. Although so far these two types of approaches have mainly been applied separately to biomolecular problems, the results of our investigation indicate that there are substantial benefits to be gained by their integration.
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DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
Protein-protein interactions are critically dependent on just a few 'hot spot' residues at the interface. Hot spots make a dominant contribution to the free energy of binding and they can disrupt the ...interaction if mutated to alanine. Here, we present HSPred, a support vector machine(SVM)-based method to predict hot spot residues, given the structure of a complex. HSPred represents an improvement over a previously described approach (Lise et al, BMC Bioinformatics 2009, 10:365). It achieves higher accuracy by treating separately predictions involving either an arginine or a glutamic acid residue. These are the amino acid types on which the original model did not perform well. We have therefore developed two additional SVM classifiers, specifically optimised for these cases. HSPred reaches an overall precision and recall respectively of 61% and 69%, which roughly corresponds to a 10% improvement. An implementation of the described method is available as a web server at http://bioinf.cs.ucl.ac.uk/hspred. It is free to non-commercial users.
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Dostopno za:
DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
Legged robots can outperform wheeled machines for most navigation tasks across unknown and rough terrains. For such tasks, visual feedback is a fundamental asset to provide robots with terrain ...awareness. However, robust dynamic locomotion on difficult terrains with real-time performance guarantees remains a challenge. We present here a real-time, dynamic foothold adaptation strategy based on visual feedback. Our method adjusts the landing position of the feet in a fully reactive manner, using only on-board computers and sensors. The correction is computed and executed continuously along the swing phase trajectory of each leg. To efficiently adapt the landing position, we implement a self-supervised foothold classifier based on a convolutional neural network. Our method results in an up to 200 times faster computation with respect to the full-blown heuristics. Our goal is to react to visual stimuli from the environment, bridging the gap between blind reactive locomotion and purely vision-based planning strategies. We assess the performance of our method on the dynamic quadruped robot HyQ, executing static and dynamic gaits (at speeds up to 0.5 m/s) in both simulated and real scenarios; the benefit of safe foothold adaptation is clearly demonstrated by the overall robot behavior.
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