The maximization of diversity of neuronal response properties has been recently suggested as an organizing principle for the formation of such prominent features of the functional architecture of the brain as the corti(cid:173) cal columns and the associated patchy projection patterns (Malach, 1994). We show that (1) maximal diversity is attained when the ratio of dendritic and axonal arbor sizes is equal to one, as found in many cortical areas and across species (Lund et al., 1993; Malach, 1994), and (2) that maxi(cid:173) mization of diversity leads to better performance in systems of receptive fields implementing steerable/shiftable filters, and in matching spatially distributed signals, a problem that arises in many high-level visual tasks. A fundamental feature of cortical architecture is its columnar organization, mani(cid:173) fested in the tendency of neurons with similar properties to be organized in columns that run perpendicular to the cortical surface. This organization of the cortex was ini(cid:173) tially discovered by physiological experiments (Mouncastle, 1957; Hubel and Wiesel, 1962), and subsequently confirmed with the demonstration of histologically defined columns. Tracing experiments have shown that axonal projections throughout the cerebral cortex tend to be organized in vertically aligned clusters or patches.

In biological neurons, the timing of a spike depends on the timing of synaptic currents, in a way that is classically described by the Phase Response Curve. This has implications for temporal coding: an action potential that arrives on a synapse has an implicit meaning, that depends on the position of the postsynaptic neuron on the firing cycle. Here we show that this implicit code can be used to perform computations. Using theta neurons, we derive a spike-timing dependent learning rule from an error criterion. We demonstrate how to train an a uto-encoder neural network using this rule.

Fast and accurate simulation of complex chemical systems in environments such as solutions is a long standing challenge in theoretical chemistry. In recent years, machine learning has extended the boundaries of quantum chemistry by providing highly accurate and efficient surrogate models of electronic structure theory, which previously have been out of reach for conventional approaches. Those models have long been restricted to closed molecular systems without accounting for environmental influences, such as external electric and magnetic fields or solvent effects. Here, we introduce the deep neural network FieldSchNet for modeling the interaction of molecules with arbitrary external fields. FieldSchNet offers access to a wealth of molecular response properties, enabling it to simulate a wide range of molecular spectra, such as infrared, Raman and nuclear magnetic resonance. Beyond that, it is able to describe implicit and explicit molecular environments, operating as a polarizable continuum model for solvation or in a quantum mechanics / molecular mechanics setup. We employ FieldSchNet to study the influence of solvent effects on molecular spectra and a Claisen rearrangement reaction. Based on these results, we use FieldSchNet to design an external environment capable of lowering the activation barrier of the rearrangement reaction significantly, demonstrating promising venues for inverse chemical design.

The goal of this research is to develop agents that are adaptive and predictable and timely. At first blush, these three requirements seem contradictory. For example, adaptation risks introducing undesirable side effects, thereby making agents' behavior less predictable. Furthermore, although formal verification can assist in ensuring behavioral predictability, it is known to be time-consuming. Our solution to the challenge of satisfying all three requirements is the following. Agents have finite-state automaton plans, which are adapted online via evolutionary learning (perturbation) operators. To ensure that critical behavioral constraints are always satisfied, agents' plans are first formally verified. They are then reverified after every adaptation. If reverification concludes that constraints are violated, the plans are repaired. The main objective of this paper is to improve the efficiency of reverification after learning, so that agents have a sufficiently rapid response time. We present two solutions: positive results that certain learning operators are a priori guaranteed to preserve useful classes of behavioral assurance constraints (which implies that no reverification is needed for these operators), and efficient incremental reverification algorithms for those learning operators that have negative a priori results.

In biological neurons, the timing of a spike depends on the timing of synaptic currents, in a way that is classically described by the Phase Response Curve. This has implications for temporal coding: an action potential that arrives on a synapse has an implicit meaning, that depends on the position of the postsynaptic neuron on the firing cycle. Here we show that this implicit code can be used to perform computations. Using theta neurons, we derive a spike-timing dependent learning rule from an error criterion. We demonstrate how to train an auto-encoder neural network using this rule.

In biological neurons, the timing of a spike depends on the timing of synaptic currents, in a way that is classically described by the Phase Response Curve. This has implications for temporal coding: an action potential that arrives on a synapse has an implicit meaning, that depends on the position of the postsynaptic neuron on the firing cycle. Here we show that this implicit code can be used to perform computations. Using theta neurons, we derive a spike-timing dependent learning rule from an error criterion. We demonstrate how to train an auto-encoder neural network using this rule.

Multiple visual cues are used by the visual system to analyze a scene; achromatic cues include luminance, texture, contrast and motion. Singlecell recordings have shown that the mammalian visual cortex contains neurons that respond similarly to scene structure (e.g., orientation of a boundary), regardless of the cue type conveying this information. This paper shows that cue-invariant response properties of simple-and complex-type cells can be learned from natural image data in an unsupervised manner. In order to do this, we also extend a previous conceptual model of cue invariance so that it can be applied to model simple-and complex-cell responses. Our results relate cue-invariant response properties to natural image statistics, thereby showing how the statistical modeling approach can be used to model processing beyond the elemental response properties visual neurons. This work also demonstrates how to learn, from natural image data, more sophisticated feature detectors than those based on changes in mean luminance, thereby paving the way for new data-driven approaches to image processing and computer vision.

Multiple visual cues are used by the visual system to analyze a scene; achromatic cues include luminance, texture, contrast and motion. Singlecell recordings have shown that the mammalian visual cortex contains neurons that respond similarly to scene structure (e.g., orientation of a boundary), regardless of the cue type conveying this information. This paper shows that cue-invariant response properties of simple-and complex-type cells can be learned from natural image data in an unsupervised manner. In order to do this, we also extend a previous conceptual model of cue invariance so that it can be applied to model simple-and complex-cell responses. Our results relate cue-invariant response properties to natural image statistics, thereby showing how the statistical modeling approach can be used to model processing beyond the elemental response properties visual neurons. This work also demonstrates how to learn, from natural image data, more sophisticated feature detectors than those based on changes in mean luminance, thereby paving the way for new data-driven approaches to image processing and computer vision.

We present a neural model that can perform eye movements to a particular side of an object regardless of the position and orientation of the object in space, a generalization of a task which has been recently used by Olson and Gettner [4] to investigate the neural structure of object-centered representations. Our model uses an intermediate representation in which units have oculocentric receptive fields-just like collicular neurons-whose gain is modulated by the side of the object to which the movement is directed, as well as the orientation of the object. We show that these gain modulations are consistent with Olson and Gettner's single cell recordings in the supplementary eye field. This demonstrates that it is possible to perform an object-centered task without a representation involving an object-centered map, viz., without neurons whose receptive fields are defined in object-centered coordinates. We also show that the same approach can account for object-centered neglect, a situation in which patients with a right parietal lesion neglect the left side of objects regardless of the orientation of the objects. Several authors have argued that tasks such as object recognition [3] and manipulation [4] are easier to perform if the object is represented in object-centered coordinates, a representation in which the subparts of the object are encoded with respect to a frame of reference centered on the object. Compelling evidence for the existence of such representations in the cortex comes from experiments on hemineglect-a neurological syndrome resulting from unilateral lesions of the parietal cortex such that a right lesion, for example, leads patients to ignore stimuli located on the left side of their egocentric space. Recently, Driver et al. (1994) showed that the deficit can also be object-centered.

We present a neural model that can perform eye movements to a particular side of an object regardless of the position and orientation of the object in space, a generalization of a task which has been recently used by Olson and Gettner [4] to investigate the neural structure of object-centered representations. Our model uses an intermediate representation in which units have oculocentric receptive fields-just like collicular neurons-whose gain is modulated by the side of the object to which the movement is directed, as well as the orientation of the object. We show that these gain modulations are consistent with Olson and Gettner's single cell recordings in the supplementary eye field. This demonstrates that it is possible to perform an object-centered task without a representation involving an object-centered map, viz., without neurons whose receptive fields are defined in object-centered coordinates. We also show that the same approach can account for object-centered neglect, a situation in which patients with a right parietal lesion neglect the left side of objects regardless of the orientation of the objects. Several authors have argued that tasks such as object recognition [3] and manipulation [4] are easier to perform if the object is represented in object-centered coordinates, a representation in which the subparts of the object are encoded with respect to a frame of reference centered on the object. Compelling evidence for the existence of such representations in the cortex comes from experiments on hemineglect-a neurological syndrome resulting from unilateral lesions of the parietal cortex such that a right lesion, for example, leads patients to ignore stimuli located on the left side of their egocentric space. Recently, Driver et al. (1994) showed that the deficit can also be object-centered.