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Guess & Check (GC) codes are systematic binary codes that can correct multiple deletions, with high probability. GC codes have logarithmic redundancy in the length of the message $k$, and the encoding and decoding algorithms of these codes…
Large language models (LLMs) are increasingly used for high-stakes decision-making, yet existing approaches struggle to reconcile scalability, interpretability, and reproducibility. Black-box models obscure their reasoning, while recent…
Coarse-grained (CG) molecular dynamics simulations extend the length and time scale of atomistic simulations by replacing groups of correlated atoms with CG beads. Machine-learned coarse-graining (MLCG) has recently emerged as a promising…
In parameter estimation problems one computes a posterior distribution over uncertain parameters defined jointly by a prior distribution, a model, and noisy data. Markov Chain Monte Carlo (MCMC) is often used for the numerical solution of…
Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat…
GEneral Matrix Multiply (GEMM) is a central operation in deep learning and corresponds to the largest chunk of the compute footprint. Therefore, improving its efficiency is an active topic of ongoing research. A popular strategy is the use…
Advances in Geometric Semantic Genetic Programming (GSGP) have shown that this variant of Genetic Programming (GP) reaches better results than its predecessor for supervised machine learning problems, particularly in the task of symbolic…
With the advent of automatic vectorization tools (e.g., JAX's $\texttt{vmap}$), writing multi-chain MCMC algorithms is often now as simple as invoking those tools on single-chain code. Whilst convenient, for various MCMC algorithms this…
Coded distributed matrix multiplication (CDMM) schemes, such as MatDot codes, seek efficient ways to distribute matrix multiplication task(s) to a set of $N$ distributed servers so that the answers returned from any $R$ servers are…
In the modern era of large-scale computing systems, a crucial use of error correcting codes is to judiciously introduce redundancy to ensure recoverability from failure. To get the most out of every byte, practitioners and theorists have…
Commit Message Generation (CMG) approaches aim to automatically generate commit messages based on given code diffs, which facilitate collaboration among developers and play a critical role in Open-Source Software (OSS). Very recently, Large…
Matrix multiplication (hereafter we use the acronym MM) is among the most fundamental operations of modern computations. The efficiency of its performance depends on various factors, in particular vectorization, data movement and arithmetic…
Model Predictive Control (MPC) is a powerful technique to control nonlinear, multi-input multi-output systems subject to input and state constraints. It is now a standard tool for trajectory tracking control of automated vehicles. As such…
Generative Adversarial Network(GAN) provides a good generative framework to produce realistic samples, but suffers from two recognized issues as mode collapse and unstable training. In this work, we propose to employ explicit manifold…
Graph Neural Networks (GNNs) have achieved strong results in molecular property prediction, but polymers present distinct challenges: labeled datasets are scarce and small (typically in the order of hundreds of polymers) due to the need for…
The hull of linear codes plays an important role in quantum information and coding theory. In the present paper, by investigating the Galois hulls of generalized Reed-Solomon (GRS) codes and extended GRS codes over the finite field Fq, we…
Molecular Dynamics (MD) simulations are essential for accurately predicting the physical and chemical properties of large molecular systems across various pressure and temperature ensembles. However, the high computational costs associated…
Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…
Randomized linear system solvers have become popular as they have the potential to reduce floating point complexity while still achieving desirable convergence rates. One particularly promising class of methods, random sketching solvers,…
Applying Gaussian processes (GPs) to very large datasets remains a challenge due to limited computational scalability. Matrix structures, such as the Kronecker product, can accelerate operations significantly, but their application commonly…