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As computer scientists working in bioinformatics/computational biology, we often face the challenge of coming up with an algorithm to answer a biological question. This occurs in many areas, such as variant calling, alignment, and assembly.…

Data Structures and Algorithms · Computer Science 2018-01-04 Paul Medvedev

We present Diagrammatica, a symbolic computation extension to the HEPTAPOD agentic framework, which enables LLM agents to plan and execute multi-step theoretical calculations. Symbolic computation poses a distinctive reliability challenge…

High Energy Physics - Phenomenology · Physics 2026-03-31 Tony Menzo , Alexander Roman , George T. Fleming , Sergei Gleyzer , Konstantin T. Matchev , Stephen Mrenna

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

In this work, we investigate a challenging problem, which has been considered to be an important criterion in designing codewords for DNA computing purposes, namely secondary structure avoidance in single-stranded DNA molecules. In short,…

Information Theory · Computer Science 2023-02-28 Tuan Thanh Nguyen , Kui Cai , Han Mao Kiah , Duc Tu Dao , Kees A. Schouhamer Immink

We describe here a library aimed at automating the solution of partial differential equations using the finite element method. By employing novel techniques for automated code generation, the library combines a high level of expressiveness…

Mathematical Software · Computer Science 2012-05-15 Anders Logg , Garth N. Wells

We study the amount of reliable information that can be stored in a DNA-based storage system composed of short DNA molecules. In this regime, Shomorony and Heckel (2022) put forward a conjecture on the scaling of the number of information…

Information Theory · Computer Science 2025-11-19 Ran Tamir , Nir Weinberger , Albert Guillén i Fàbregas

A common requirement of quantum simulations and algorithms is the preparation of complex states through sequences of 2-qubit gates. For a generic quantum state, the number of gates grows exponentially with the number of qubits, becoming…

Quantum Physics · Physics 2024-07-08 Matan Ben Dov , David Shnaiderov , Adi Makmal , Emanuele G. Dalla Torre

Designing short DNA words is a problem of constructing a set (i.e., code) of n DNA strings (i.e., words) with the minimum length such that the Hamming distance between each pair of words is at least k and the n words satisfy a set of…

Data Structures and Algorithms · Computer Science 2012-02-01 Ming-Yang Kao , Henry C. M. Leung , He Sun , Yong Zhang

DNA synthesis is considered as one of the most expensive components in current DNA storage systems. In this paper, focusing on a common synthesis machine, which generates multiple DNA strands in parallel following a fixed supersequence,we…

Information Theory · Computer Science 2025-05-13 Yajuan Liu , Tolga M. Duman

Creating high performance implementations of deep learning primitives on CPUs is a challenging task. Multiple considerations including multi-level cache hierarchy, and wide SIMD units of CPU platforms influence the choice of program…

Programming Languages · Computer Science 2021-04-13 Sanket Tavarageri , Gagandeep Goyal , Sasikanth Avancha , Bharat Kaul , Ramakrishna Upadrasta

Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…

Machine Learning · Computer Science 2019-09-04 Jordan Hoffmann , Louis Maestrati , Yoshihide Sawada , Jian Tang , Jean Michel Sellier , Yoshua Bengio

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio

Maximum length CA has wide range of applications in design of linear block code, cryptographic primitives and VLSI testing particularly in Built-In-Self-Test. In this paper, an algorithm to compute all $n$-cell maximum length CA-rule…

Other Computer Science · Computer Science 2015-03-16 Jaydeb Bhaumik

Machine-learning methods are gradually being adopted in a wide variety of social, economic, and scientific contexts, yet they are notorious for struggling with exact mathematics. A typical example is computer algebra, which includes tasks…

Machine Learning · Computer Science 2024-11-06 Lennart Dabelow , Masahito Ueda

Despite the remarkable code generation abilities of large language models LLMs, they still face challenges in complex task handling. Robot development, a highly intricate field, inherently demands human involvement in task allocation and…

Robotics · Computer Science 2024-02-19 Zhirong Luan , Yujun Lai , Rundong Huang , Xiaruiqi Lan , Liangjun Chen , Badong Chen

Efficient deep learning computing requires algorithm and hardware co-design to enable specialization: we usually need to change the algorithm to reduce memory footprint and improve energy efficiency. However, the extra degree of freedom…

Machine Learning · Computer Science 2019-04-25 Song Han , Han Cai , Ligeng Zhu , Ji Lin , Kuan Wang , Zhijian Liu , Yujun Lin

Mathematical methods provide useful framework for the analysis and design of complex systems. In newer contexts such as biology, however, there is a need to both adapt existing methods as well as to develop new ones. Using a combination of…

Molecular Networks · Quantitative Biology 2017-12-06 Abhishek Dey , Shaunak Sen

Machine learning has the potential to automate molecular design and drastically accelerate the discovery of new functional compounds. Towards this goal, generative models and reinforcement learning (RL) using string and graph…

Machine Learning · Computer Science 2022-02-02 Daniel Flam-Shepherd , Alexander Zhigalin , Alán Aspuru-Guzik

In today's software world with its cornucopia of reusable software libraries, when a programmer is faced with a programming task that they suspect can be completed through the use of a library, they often look for code examples using a…

Software Engineering · Computer Science 2021-10-08 Geert Heyman , Rafael Huysegems , Pascal Justen , Tom Van Cutsem

In this review paper, we delve into the nascent field of molecular data storage, focusing on system implementations and code constructions. We start by providing an overview of basic concepts in synthetic and computational biology.…

Emerging Technologies · Computer Science 2023-10-10 Olgica Milenkovic , Chao Pan