相关论文: RNA secondary structure design

We present a general setting for structure-sequence comparison in a large class of RNA structures that unifies and generalizes a number of recent works on specific families on structures. Our approach is based on tree decomposition of…

The contact map of a protein fold is a graph that represents the patterns of contacts in the fold. It is known that the contact map can be decomposed into stacks and queues. RNA secondary structures are special stacks in which the degree of…

In this paper we enumerate $k$-noncrossing RNA pseudoknot structures with given minimum stack-length. We show that the numbers of $k$-noncrossing structures without isolated base pairs are significantly smaller than the number of all…

Artificial neural network (NN) architecture design is a nontrivial and time-consuming task that often requires a high level of human expertise. Neural architecture search (NAS) serves to automate the design of NN architectures and has…

Neural Architectures Search (NAS) becomes more and more popular over these years. However, NAS-generated models tends to suffer greater vulnerability to various malicious attacks. Lots of robust NAS methods leverage adversarial training to…

In recent years, deep neural networks have had great success in machine learning and pattern recognition. Architecture size for a neural network contributes significantly to the success of any neural network. In this study, we optimize the…

Deep unrolling, or unfolding, is an emerging learning-to-optimize method that unrolls a truncated iterative algorithm in the layers of a trainable neural network. However, the convergence guarantees and generalizability of the unrolled…

The world is structured in countless ways. It may be prudent to enforce corresponding structural properties to a learning algorithm's solution, such as incorporating prior beliefs, natural constraints, or causal structures. Doing so may…

The rational design of molecules with desired properties is a long-standing challenge in chemistry. Generative neural networks have emerged as a powerful approach to sample novel molecules from a learned distribution. Here, we propose a…

Inverse design of morphing slender structures with programmable curvature has significant applications in various engineering fields. Most existing studies formulate it as an optimization problem, which requires repeatedly solving the…

Accurate RNA structure modeling remains difficult because RNA backbones are highly flexible, non-canonical interactions are prevalent, and experimentally determined 3D structures are comparatively scarce. We introduce \emph{RiboSphere}, a…

A key challenge that threatens the widespread use of neural networks in safety-critical applications is their vulnerability to adversarial attacks. In this paper, we study the second-order behavior of continuously differentiable deep neural…

Protein structures are a very special class among all possible structures. It was suggested that a ``designability principle'' plays a crucial role in nature's selection of protein sequences and structures. Here we provide a theoretical…

In this paper, we investigate a new variant of neural architecture search (NAS) paradigm -- searching with random labels (RLNAS). The task sounds counter-intuitive for most existing NAS algorithms since random label provides few information…

Higher-dimensional rewriting is founded on a duality of rewrite systems and cell complexes, connecting computational mathematics to higher categories and homotopy theory: the two sides of a rewrite rule are two halves of the boundary of an…

The relationship between sequences and secondary structures or shapes in RNA exhibits robust statistical properties summarized by three notions: (1) the notion of a typical shape (that among all sequences of fixed length certain shapes are…

Given a two-level regular fractional factorial design of resolution IV, the method of doubling produces another design of resolution IV which doubles both the run size and the number of factors of the initial design. On the other hand, the…

Among an infinite number of possible folds, nature has chosen only about 1000 distinct folds to form protein structures. Theoretical studies suggest that selected folds are intrinsically more designable than others; these selected folds are…

For large classes of group testing problems, we derive lower bounds for the probability that all significant items are uniquely identified using specially constructed random designs. These bounds allow us to optimize parameters of the…

Neural networks are prone to misclassify slightly modified input images. Recently, many defences have been proposed, but none have improved the robustness of neural networks consistently. Here, we propose to use adversarial attacks as a…