Generative neural network designs novel 3D molecules with specified properties.
arXiv research
A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
Trend · papers per month
Generative model designs drug combinations for improved efficacy and reduced side effects.
PaDGAN generates diverse, high-quality designs with improved performance.
A novel neural network approach for optimization problems.
We propose a novel method that makes use of deep neural networks and gradient decent to perform automated design on complex real world engineering tasks. Our approach works by training a neural network to mimic the fitness function of a design optimization task and then, using the differential nature of the neural netw…
Topology design optimization offers tremendous opportunity in design and manufacturing freedoms by designing and producing a part from the ground-up without a meaningful initial design as required by conventional shape design optimization approaches. Ideally, with adequate problem statements, to formulate and solve the…
New layer improves neural networks' flexibility and speed.
Web crawling, snowball sampling, and respondent-driven sampling (RDS) are three types of network sampling techniques used to contact individuals in hard-to-reach populations. This paper studies these procedures as a Markov process on the social network that is indexed by a tree. Each node in this tree corresponds to an…
A new diffusion model generates novel protein backbones without relying on pretrained networks.
Single-Path NAS designs efficient ConvNets for mobile devices in hours.
Novel neural network approximates exact distance for robust classification.
Deep neural networks (DNN) excel at extracting patterns. Through representation learning and automated feature engineering on large datasets, such models have been highly successful in computer vision and natural language applications. Designing optimal network architectures from a principled or rational approach howev…
This thesis aims to automate deep neural network design for efficiency and complexity reduction.
Significant advances have been made recently on training neural networks, where the main challenge is in solving an optimization problem with abundant critical points. However, existing approaches to address this issue crucially rely on a restrictive assumption: the training data is drawn from a Gaussian distribution. …
GraphNAS uses reinforcement learning to automatically design graph neural network architectures.
Meta-learning improves drone trajectory design for dynamic wireless networks.
We present a novel condition, which we term the net- work nullspace property, which ensures accurate recovery of graph signals representing massive network-structured datasets from few signal values. The network nullspace property couples the cluster structure of the underlying network-structure with the geometry of th…
Adaptive graph auto-encoder improves general data clustering.
We propose a novel computational strategy for de novo design of molecules with desired properties termed ReLeaSE (Reinforcement Learning for Structural Evolution). Based on deep and reinforcement learning approaches, ReLeaSE integrates two deep neural networks - generative and predictive - that are trained separately b…
In de novo drug design, computational strategies are used to generate novel molecules with good affinity to the desired biological target. In this work, we show that recurrent neural networks can be trained as generative models for molecular structures, similar to statistical language models in natural language process…
StrNN uses neural network structures to learn conditional independencies.
This paper presents a stochastic logic time delay reservoir design. The reservoir is analyzed using a number of metrics, such as kernel quality, generalization rank, performance on simple benchmarks, and is also compared to a deterministic design. A novel re-seeding method is introduced to reduce the adverse effects of…
Deep neural networks are powerful learning models that achieve state-of-the-art performance on many computer vision, speech, and language processing tasks. In this paper, we study a fundamental question that arises when designing deep network architectures: Given a target network architecture can we design a smaller ne…
Deep CapsNet improves sign language recognition from wearable IMUs.
XceptionTime improves hand gesture recognition accuracy using novel deep learning.
A new framework designs experiments for better decision-making.
In this study, a novel topology optimization approach based on conditional Wasserstein generative adversarial networks (CWGAN) is developed to replicate the conventional topology optimization algorithms in an extremely computationally inexpensive way. CWGAN consists of a generator and a discriminator, both of which are…
Can an algorithm create original and compelling fashion designs to serve as an inspirational assistant? To help answer this question, we design and investigate different image generation models associated with different loss functions to boost creativity in fashion generation. The dimensions of our explorations include…
A novel model-selection method for dynamic networks using synthetic data.
Optimal sensor placement minimizes information loss from simulations.
Novel approach to learn CTBNs from data with minimal interventions.
Improved GAN performance with a novel local attention mechanism.
New method optimizes experiments under constraints.
Deep neural network architectures have traditionally been designed and explored with human expertise in a long-lasting trial-and-error process. This process requires huge amount of time, expertise, and resources. To address this tedious problem, we propose a novel algorithm to optimally find hyperparameters of a deep n…
Study on shortcuts in deep networks, revealing their layer-wise distribution and impact.
A novel method to propagate uncertainty through the soft-thresholding nonlinearity is proposed in this paper. At every layer the current distribution of the target vector is represented as a spike and slab distribution, which represents the probabilities of each variable being zero, or Gaussian-distributed. Using the p…
Survey of GANs challenges and solutions for better model design and optimization.
In this paper, we propose a method that disentangles the effects of multiple input conditions in Generative Adversarial Networks (GANs). In particular, we demonstrate our method in controlling color, texture, and shape of a generated garment image for computer-aided fashion design. To disentangle the effect of input at…
A new multi-kernel RBFNN design improves performance and speed.
EPINE enhances network embedding by improving adjacency matrix-based high-order proximity.
The study examines deep convolutional neural networks and their learning ability.
New methods optimize transport and sampling for neural networks.
Deep neural networks suffer from over-fitting and catastrophic forgetting when trained with small data. One natural remedy for this problem is data augmentation, which has been recently shown to be effective. However, previous works either assume that intra-class variances can always be generalized to new classes, or e…
Few-shot unsupervised image-to-image translation model learns from a few examples.
Paper presents a novel hyperbolic neural network for efficient data representation.
Deep learning algorithms excel at extracting patterns from raw data, and with large datasets, they have been very successful in computer vision and natural language applications. However, in other domains, large datasets on which to learn representations from may not exist. In this work, we develop a novel multimodal C…
Semantic segmentation remains a computationally intensive algorithm for embedded deployment even with the rapid growth of computation power. Thus efficient network design is a critical aspect especially for applications like automated driving which requires real-time performance. Recently, there has been a lot of resea…
When designing fully-convolutional neural network, there is a trade-off between receptive field size, number of parameters and spatial resolution of features in deeper layers of the network. In this work we present a novel network design based on combination of many convolutional and recurrent layers that solves these …