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Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…
Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…
Large Language Models (LLMs) have become extremely potent instruments with exceptional capacities for comprehending and producing human-like text in a wide range of applications. However, the increasing size and complexity of LLMs present…
Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…
Engineering information systems for scientific data analysis presents significant challenges: complex workflows requiring exploration of large solution spaces, close collaboration with domain specialists, and the need for maintainable,…
Large language models (LLMs) have demonstrated significant success in complex reasoning tasks such as math and coding. In contrast to these tasks where deductive reasoning predominates, inductive reasoning-the ability to derive general…
Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and…
Design Research Methodology (DRM) supports systematic design research through representations such as Reference Models and Impact Models. However, the practical construction and maintenance of these models often remains manual, requiring…
Large language models (LLMs) have shown remarkable success in recent years, enabling a wide range of applications, including intelligent assistants that support users' daily life and work. A critical factor in building such assistants is…
Using Large Language Models (LLMs) to generate semantic features has been demonstrated as a powerful paradigm for enhancing Sequential Recommender Systems (SRS). This typically involves three stages: processing item text, extracting…
The art of heuristic design has traditionally been a human pursuit. While Large Language Models (LLMs) can generate code for search heuristics, their application has largely been confined to adjusting simple functions within human-crafted…
Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…
Autoregressive Large Language Models (AR-LLMs) are widely used in software engineering (SE) but face limitations in processing code structure information and suffer from high inference latency. Diffusion LLMs (DLLMs) offer a promising…
Optimal use of computing resources requires extensive coding, tuning and benchmarking. To boost developer productivity in these time consuming tasks, we introduce the Experimental Linear Algebra Performance Studies framework (ELAPS), a…
We study how large language models can be used in combination with evolutionary computation techniques to automatically discover optimization algorithms for the design of photonic structures. Building on the Large Language Model…
Large Language Models (LLMs) are showing remarkable performance in generating source code, yet the generated code often has issues like compilation errors or incorrect code. Researchers and developers often face wasted effort in…
Large Language Models (LLMs) have become dominant in the Natural Language Processing (NLP) field causing a huge surge in progress in a short amount of time. However, their limitations are still a mystery and have primarily been explored…
Large Language Models (LLMs) excel at many tasks, yet they struggle to produce truly creative, diverse ideas. In this paper, we introduce a novel approach that enhances LLM creativity. We apply LLMs for translating between natural language…
Diffusion models have achieved remarkable success in image and video generation. However, their inherently multiple step inference process imposes substantial computational overhead, hindering real-world deployment. Accelerating diffusion…
AI agents powered by large language models (LLMs) are being used to solve increasingly complex software engineering challenges, but struggle with hardware design tasks. Register Transfer Level (RTL) code presents a unique challenge for…