TEXTAL is a computer program that automatically interprets electron density maps to determine the atomic structures of proteins through X-ray crystallography. Electron density maps are traditionally interpreted by visually fitting atoms into density patterns. This manual process can be time-consuming and error prone, even for expert crystallographers. To automate the process, TEXTAL employs a variety of AI and pattern-recognition techniques that emulate the decision-making processes of domain experts.

TEXTAL is a computer program that automatically interprets electron density maps to determine the atomic structures of proteins through X-ray crystallography. Electron density maps are traditionally interpreted by visually fitting atoms into density patterns. This manual process can be time-consuming and error prone, even for expert crystallographers. Noise in the data and limited resolution make map interpretation challenging. To automate the process, TEXTAL employs a variety of AI and pattern-recognition techniques that emulate the decision-making processes of domain experts. In this article, we discuss the various ways AI technology is used in TEXTAL, including neural networks, case-based reasoning, nearest neighbor learning and linear discriminant analysis. The AI and pattern-recognition approaches have proven to be effective for building protein models even with medium resolution data. TEXTAL is a successfully deployed application; it is being used in more than 100 crystallography labs from 20 countries.

The most basic assumption used in statistical learning theory is that training data and test data are drawn from the same underlying distribution. Unfortunately, in many applications, the "in-domain" test data is drawn from a distribution that is related, but not identical, to the "out-of-domain" distribution of the training data. We consider the common case in which labeled out-of-domain data is plentiful, but labeled in-domain data is scarce. We introduce a statistical formulation of this problem in terms of a simple mixture model and present an instantiation of this framework to maximum entropy classifiers and their linear chain counterparts. We present efficient inference algorithms for this special case based on the technique of conditional expectation maximization. Our experimental results show that our approach leads to improved performance on three real world tasks on four different data sets from the natural language processing domain.

We present a probabilistic approach to learning a Gaussian Process classifier in the presence of unlabeled data. Our approach involves a "null category noise model" (NCNM) inspired by ordered categorical noise models. The noise model reflects an assumption that the data density is lower between the class-conditional densities. We illustrate our approach on a toy problem and present comparative results for the semi-supervised classification of handwritten digits.

We claim and present arguments to the effect that a large class of manifold learning algorithms that are essentially local and can be framed as kernel learning algorithms will suffer from the curse of dimensionality, at the dimension of the true underlying manifold. This observation suggests to explore non-local manifold learning algorithms which attempt to discover shared structure in the tangent planes at different positions. A criterion for such an algorithm is proposed and experiments estimating a tangent plane prediction function are presented, showing its advantages with respect to local manifold learning algorithms: it is able to generalize very far from training data (on learning handwritten character image rotations), where a local nonparametric method fails.

We consider the semi-supervised learning problem, where a decision rule is to be learned from labeled and unlabeled data. In this framework, we motivate minimum entropy regularization, which enables to incorporate unlabeled data in the standard supervised learning. Our approach includes other approaches to the semi-supervised problem as particular or limiting cases. A series of experiments illustrates that the proposed solution benefits from unlabeled data. The method challenges mixture models when the data are sampled from the distribution class spanned by the generative model. The performances are definitely in favor of minimum entropy regularization when generative models are misspecified, and the weighting of unlabeled data provides robustness to the violation of the "cluster assumption". Finally, we also illustrate that the method can also be far superior to manifold learning in high dimension spaces.

Capturing dependencies in images in an unsupervised manner is important for many image processing applications. We propose a new method for capturing nonlinear dependencies in images of natural scenes. This method is an extension of the linear Independent Component Analysis (ICA) method by building a hierarchical model based on ICA and mixture of Laplacian distribution. The model parameters are learned via an EM algorithm and it can accurately capture variance correlation and other high order structures in a simple manner. We visualize the learned variance structure and demonstrate applications to image segmentation and denoising.

Gaussian processes are usually parameterised in terms of their covariance functions. However, this makes it difficult to deal with multiple outputs, because ensuring that the covariance matrix is positive definite is problematic. An alternative formulation is to treat Gaussian processes as white noise sources convolved with smoothing kernels, and to parameterise the kernel instead. Using this, we extend Gaussian processes to handle multiple, coupled outputs.

The context in which a name appears in a caption provides powerful cues as to who is depicted in the associated image. We obtain 44,773 face images, using a face detector, from approximately half a million captioned news images and automatically link names, obtained using a named entity recognizer, with these faces. A simple clustering method can produce fair results. We improve these results significantly by combining the clustering process with a model of the probability that an individual is depicted given its context. Once the labeling procedure is over, we have an accurately labeled set of faces, an appearance model for each individual depicted, and a natural language model that can produce accurate results on captions in isolation.

During the last ten years there has been growing interest in the development of Brain Computer Interfaces (BCIs). The field has mainly been driven by the needs of completely paralyzed patients to communicate. With a few exceptions, most human BCIs are based on extracranial electroencephalography (EEG). However, reported bit rates are still low. One reason for this is the low signal-to-noise ratio of the EEG [16]. We are currently investigating if BCIs based on electrocorticography (ECoG) are a viable alternative. In this paper we present the method and examples of intracranial EEG recordings of three epilepsy patients with electrode grids placed on the motor cortex. The patients were asked to repeatedly imagine movements of two kinds, e.g., tongue or finger movements. We analyze the classifiability of the data using Support Vector Machines (SVMs) [18, 21] and Recursive Channel Elimination (RCE) [11].