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In this work, we demonstrate that affine mappings between residual streams of language models is a cheap way to effectively transfer represented features between models. We apply this technique to transfer the weights of Sparse Autoencoders…
Thompson Sampling is a principled method for balancing exploration and exploitation, but its real-world adoption faces computational challenges in large-scale or non-conjugate settings. While ensemble-based approaches offer partial…
In this paper, an energy-efficient cross-layer design framework is proposed for cooperative relaying networks, which takes into account the influence of spectrum utilization probability. Specifically, random arrival traffic is considered…
Many proteins in cells are capable of sensing and responding to piconewton scale forces, a regime in which conformational changes are small but significant for biological processes. In order to efficiently and effectively sample the…
Understanding the principles of protein folding is a cornerstone of computational biology, with implications for drug design, bioengineering, and the understanding of fundamental biological processes. Lattice protein folding models offer a…
Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In…
Advances in additive manufacturing (AM) enable new opportunities to design compact heat exchangers (cHEXs) by leveraging flexible geometries to improve energy and material efficiency. However, it is well known that reducing size in…
Replica exchange molecular dynamics (REMD) becomes more efficient as the frequency of swap between the temperatures is increased. Recently in [Plattner et al, J. Chem. Phys. 135, 134111 (2011)] a method was proposed to implement infinite…
Understanding the impact of extractant functionalization in solvent extraction is essential to guide the development of better separations processes. Traditionally, computational extractant design uses electronic structure calculations to…
Most recent state of the art architectures rely on combinations and variations of three approaches: convolutional, recurrent and self-attentive methods. Our work attempts in laying the basis for a new research direction for sequence…
A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…
Increasing the size of a Transformer does not always lead to enhanced performance. This phenomenon cannot be explained by the empirical scaling laws. Furthermore, the model's enhanced performance is closely associated with its memorization…
Sampling from multimodal distributions is a central challenge in Bayesian inference and machine learning. In light of hardness results for sampling -- classical MCMC methods, even with tempering, can suffer from exponential mixing times --…
A novel approach to investigate the electron transport of cis- and trans-polyacetylene chains in the single-electron approximation is presented by using microwave emulation measurements and tight-binding calculations. In the emulation we…
Mutual exclusion is one of the most commonly used techniques to handle contention in concurrent systems. Traditionally, mutual exclusion algorithms have been designed under the assumption that a process does not fail while…
We consider the problem of constructing exact goodness-of-fit tests for discrete exponential family models. This classical problem remains practically unsolved for many types of structured or sparse data, as it rests on a computationally…
Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has…
The extension elasticity of rod-coil mutliblock copolymers is analyzed for two experimentally accessible situations. In the quenched case, when the architecture is fixed by the synthesis, the force law is distinguished by a sharp change in…
Sampling complex potential energies is one of the most pressing challenges of contemporary computational science. Inspired by recent efforts that use quantum effects and discretized Feynman's path integrals to overcome large barriers we…
Exponential increases in scientific experimental data are outstripping the rate of progress in silicon technology. As a result, heterogeneous combinations of architectures and process or device technologies are increasingly important to…