Abstract: A method and apparatus for analysis of molecular combinations featuring two or more molecular subsets is described. The computational method estimates the electrostatic affinity of the system via utilization of a basis expansion representing charge density and electrostatic potential functions associated with the first and second molecular subsets in a coordinate system. An electrostatic affinity, representing a correlation of the charge density and electrostatic potential functions of the first and second molecular subsets, is computed via suitable application of translation and rotation operators to the basis expansion coefficients over a sequence of different sampled configurations for the molecular combination. The method may also be combined with other methods for computation of shape complementarity in determining a composite or augmented score reflecting both electrostatic affinity and shape complementarity for configurations of a molecular combination.

Abstract: Using image segmentation in video compression brings about a limitation in video quality when a segment moves in position from frame to frame. The limitation arises because color contributions (bleeding or blurring) naturally occur between neighboring segments. The above-identified problem is overcome by providing solutions to compensate for color contributions between neighboring segments. In accordance with one embodiment, a method and apparatus de-blurs an image segment. De-blurring involves removing from the segment approximate color contributions from neighboring segments. This results in a segment that is approximately independent of color contributions from neighboring segments. In accordance with another embodiment, a method and apparatus re-blurs an image segment. Re-blurring involves adding to the segment approximate color contributions from a new arrangement of neighboring segments. This results in more realistic rendering of the segment, as it is located in the new arrangement.

Abstract: A method for partitioning a molecular subset is described. The partitioning method takes into account molecular structure and its manner of storage and transmission, transformations to be applied to the molecular subset and their implementation, and constraints imposed by the implementation of the partitioning method. Using this method, a molecular subset can be stored, transmitted, and processed more efficiently. The resulting efficiency makes it possible to design and run applications which require complex molecular processing, such as rational drug discovery, virtual library design, etc.

Abstract: One embodiment relates to an apparatus for image processing. The apparatus includes a candidate edge chain identifier for identifying candidate edge chains in an image being processed, means for calculating a dynamic chain-based threshold function that is dependent on at least one characteristic of the image being processed, and a threshold applicator for applying the dynamic chain-based threshold function to the candidate edge chains. The characteristic of the image being processed may be local in that it is calculated from the vicinity of each candidate chain. A system may include an encoder or a decoder, both of which include the above apparatus. Another embodiment relates to a method for image processing. The method determines a dynamic chain-based threshold function that is dependent on at least one characteristic of the image being processed and applies the dynamic threshold to a candidate edge chain.

Abstract: A method for the prediction of adverse cross-reactions between lead candidate biomolecules and potential reactant molecules, often biopolymers, is described. In a computational system, reactions are modeled within a suitable environment, in order to determine a reaction profile between a lead candidate molecule and a potential reactant molecule. A risk assessment is then generated for each lead based on a plurality of reaction profiles for the lead with respect to a plurality of potential reactant molecules. The method includes provisions for redesign and optimization of the lead candidate, possibly iterative in nature, in order to avoid predicted adverse cross-reactions.

Abstract: In one embodiment according to the present invention, relative z-ordering of segments in a digital image is determined. A method comprises forward and backward motion matching of image regions to determine overlap, followed by the creation of relationships (e.g., pairwise relationships) between regions and comparing the result with the original image to determine the relative z-ordering.

Abstract: In a method and apparatus for predicting and coding motion vectors in a video compression scheme, an ordered list of segments for a reference frame is used to create a hierarchy of segments with a plurality of levels. Motion vectors for segments in the top level are entropy coded, and these vectors are used to predict vectors for segments at the next level. Residual vectors are entropy coded to correct these predictions, and the process of prediction from above and coding residuals continues recursively down through the hierarchy of segment levels. Information about the previous motion of segments may be exploited in the prediction process. In a complementary method and apparatus for decoding motion vectors, the same segment hierarchy is used to predict motion vectors by the same method used during encoding, and these predicted vectors are added to residual motion vectors to reconstruct the actual motion vectors.

Abstract: A method and apparatus for analysis of molecular combinations featuring two or more molecular subsets is described. The computational method estimates the electrostatic affinity of the system via utilization of a basis expansion representing charge density and electrostatic potential functions associated with the first and second molecular subsets in a coordinate system. An electrostatic affinity, representing a correlation of the charge density and electrostatic potential functions of the first and second molecular subsets, is computed via suitable application of translation and rotation operators to the basis expansion coefficients over a sequence of different sampled configurations for the molecular combination. The method may also be combined with other methods for computation of shape complementarity in determining a composite or augmented score reflecting both electrostatic affinity and shape complementarity for configurations of a molecular combination.

Abstract: A method for the prediction of adverse cross-reactions between lead candidate biomolecules and potential reactant molecules, often biopolymers, is described. In a computational system, reactions are modeled within a suitable environment, in order to determine a reaction profile between a lead candidate molecule and a potential reactant molecule. A risk assessment is then generated for each lead based on a plurality of reaction profiles for the lead with respect to a plurality of potential reactant molecules. The method includes provision for the redesign and optimization of the lead candidate, possibly iterative in nature, in order to avoid predicted adverse cross-reactions.

Abstract: A method and apparatus for analysis of molecular combinations featuring two or more molecular subsets is described. The method computes the shape complementarity of the system utilizing a basis expansion representing molecular shapes of the first and second molecular subsets in a coordinate system. The precomputed sets of translated expansion coefficients for the first molecular subset are first constructed via application of a translation operator to a reference set of expansion coefficients and then stored on a computer recordable medium for later retrieval. Then a shape complementarity score, representing a correlation of the first and second molecular subsets, is computed via suitable application of rotation operators to both the stored translated expansion coefficients of the first molecular subset, and the reference expansion coefficients for the second molecular subset, over the sequence of different sampled configurations for the molecular combination.

Abstract: In one embodiment according to the present invention, relative z-ordering of segments in a digital image is determined. A method comprises forward and backward motion matching of image regions to determine overlap, followed by the creation of relationships (e.g., pairwise relationships) between regions and comparing the result with the original image to determine the relative z-ordering.

Abstract: One embodiment comprises a method for image processing. The method includes identifying an uncovered region in an image, determining at least one trivalent point, and extrapolating from the trivalent point to extend an edge of at least one of the image segments into the uncovered region. Another embodiment comprises an apparatus for image processing. The apparatus includes a predictor for predicting higher-frequency boundary information in newly uncovered regions. Another embodiment comprises a system for efficiently communicating video information. The system includes an encoder that encodes a video frame into an encoded frame, and a decoder that receives and decodes the encoded frame, wherein the encoder and decoder are both configured to identify uncovered regions and to extend edges from neighboring image segments into the uncovered region.

Abstract: An encoder includes a segmenter that segments a reference frame, assigning some or all of the pixels of the reference frame to segments based on pixel color values and/or pixel location. A kinetic information generator generates kinetic information that relates regions of a nonkey frame to segments of the reference frame as indicated by the segmentation. A decoder includes its own segmenter that segments at least a part of the reference frame extracted from the compressed video data, thereby eliminating the need for the encoder to include all of the segmentation in the compressed video data. The decoder includes a nonkey frame generator that regenerates a nonkey frame using kinetic information about the nonkey frame from the compressed video data and using at least a part of the segmentation of the reference frame generated by the decoder's segmenter. The encoder segmentation and decoder segmentation can be the same or different.

Abstract: A video compression method and apparatus uses an active decoder. The corresponding encoder can produce an encoded bitstream with a greatly reduced overhead by encoding a reference frame based on the structural information inherent to the image (e.g., image segmentation, geometry, color, and/or brightness), and then predicting other frames relative to the structural information. Typically, the description of a predicted frame would include kinetic information (e.g., segment motion data and/or associated residues representing information in previously occluded areas and/or inexact matches and appearance of new information, and portion of the segment evolution that is not captured by motion per se, etc.). Because the decoder is capable of independently determining the structural information (and relationships thereamong) underlying the predicted frame, such information need not be explicitly transmitted to the decoder.

Abstract: In accordance with an embodiment, a method of encoding includes generating for each transform point a double difference coefficient (comprising the difference between a modeled difference coefficient and a raw difference coefficient) and encoding as an adaptive difference coefficient for each transform point either the double difference coefficient or the raw difference coefficient. Whether the double difference coefficient or the raw difference coefficient is selected to be the adaptive difference coefficient depends on which one provides more efficient coding. A method of decoding includes receiving the adaptive difference coefficients from the encoder, applying the same modeling and transform as the encoder to generate the modeled difference coefficients, generating corrective difference coefficients (from the adaptive difference coefficients and the modeled coefficients), and inverse transformation using the corrective difference coefficients.

Abstract: An image segmenter uses one or more techniques to accurately segment an image, including the use of a progressive flood fill to fill incompletely bounded segments, the use of a plurality of scaled transformations and guiding segmentation at one scale with segmentation results from another scale, detecting edges using a composite image that is a composite of multiple color planes, generating edge chains using multiple classes of edge pixels, generating edge chains using the plurality of scaled transformations, and/or filtering spurious edges at one scale based on edges detected at another scale.

Abstract: A video compression method and apparatus uses an active decoder. The corresponding encoder can produce an encoded bitstream with a greatly reduced overhead by encoding a reference frame based on the structural information inherent to the image (e.g., image segmentation, geometry, color, and/or brightness), and then predicting other frames relative to the structural information. Typically, the description of a predicted frame would include kinetic information (e.g., segment motion data and/or associated residues representing information in previously occluded areas and/or inexact matches and appearance of new information, and portion of the segment evolution that is not captured by motion per se, etc.). Because the decoder is capable of independently determining the structural information (and relationships thereamong) underlying the predicted frame, such information need not be explicitly transmitted to the decoder.

Abstract: A method and apparatus for predicting and coding motion vectors in a video compression scheme is disclosed. An ordered list of segments for a reference frame is used to create a hierarchy of segments with a plurality of levels. Motion vectors for segments in the top level are entropy coded, and these vectors are used to predict vectors for segments at the next level. Residual vectors are entropy coded to correct these predictions, and the process of prediction from above and coding residuals continues recursively down through the hierarchy of segment levels. Information about the previous motion of segments may be exploited in the prediction process. A complementary method and apparatus for decoding motion vectors is also disclosed. The same segment hierarchy is used to predict motion vectors by the same method used during encoding, and these predicted vectors are added to residual motion vectors to reconstruct the actual motion vectors.

Abstract: A process and apparatus for identifying abrupt cuts or scene changes in any ordered sequence of images. In one specific embodiment, two or more consecutive images from a sequence are introduced to a segmenter as digital frames. The segmenter independently divides each of these frames into pixel regions or segments according to some common characteristic so that every pixel belongs to exactly one segment. A segment analysis unit then performs some statistical analysis on the segment data for each of the frames and generates composite statistics for each frame. A frame comparison unit then examines these composite statistics to determine whether these frames belong to a consistent scene of images. If the composite statistics for these frames differ sufficiently, the comparison unit declares the latter frame in the sequence to belong to a new scene. This information may then be transmitted back to the data source for the purpose of marking the scene change or for any other purpose.

Abstract: A video compression method and apparatus uses an active decoder. The corresponding encoder can produce an encoded bitstream with a greatly reduced overhead by encoding a reference frame based on the structural information inherent to the image (e.g., image segmentation, geometry, color, and/or brightness), and then predicting other frames relative to the structural information. Typically, the description of a predicted frame would include kinetic information (e.g., segment motion data and/or associated residues representing information in previously occluded areas and/or inexact matches and appearance of new information, and portion of the segment evolution that is not captured by motion per se, etc.). Because the decoder is capable of independently determining the structural information (and relationships thereamong) underlying the predicted frame, such information need not be explicitly transmitted to the decoder.