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Computational Design of Two New 5-HT1B Serotonin Receptor Agonists Derived from Naratriptan

Migraine headaches affect over one billion people internationally and can be defined as episodes of acute severe pain wrapping around the head and are normally accompanied by nausea, blurry vision, and sensitivity to light and sound. While triggers that cause migraines may vary among patients, evidence shows they are involved with the trigeminovascular system (a network of blood vessels in the brain in conjunction with the trigeminal nerve). Activation of the trigeminal neurons triggers the...

bioRxiv 11d ago

LIMCA: LLM for Automating Analog In-Memory Computing Architecture Design Exploration

arXiv:2503.13301v2 Announce Type: replace Abstract: Resistive crossbars enabling analog In-Memory Computing (IMC) have emerged as a promising architecture for Deep Neural Network (DNN) acceleration, offering high memory bandwidth and in-situ computation. However, the manual, knowledge-intensive design process and the lack of high-quality circuit netlists have significantly constrained design space exploration and optimization to behavioral system-level tools. In this work, we introduce...

arXiv CS 9d ago

Culturally-Aware AI for Cross-Boundary Community Learning: Undergraduate Innovation at the Intersection of Computation and Design

arXiv:2606.09041v1 Announce Type: new Abstract: Research on artificial intelligence in education (AIED) is rapidly expanding, yet technical progress often lacks human-centered grounding and adequate attention to cultural context. Community-Based Learning, a pedagogy rooted in social work, remains underrepresented in AIED research, particularly within Asia-Pacific contexts. This paper reports on cross-boundary Community-Based Learning where undergraduate students develop AI-enabled solutions...

arXiv CS 1d ago

CUCo: An Agentic Framework for Compute and Communication Co-design

Announce Type: replace Abstract: Computation and communication in distributed LLM training and inference are traditionally optimized in isolation; expert-crafted systems such as DeepEP, FLUX, and TokenWeave show the potential of co-design but require deep systems expertise and hardware-specific tuning; CUCo is an agentic framework that automates compute-communication co-design of CUDA kernels by combining a structured design-space formalization with a correctness-first fast-path agent for...

arXiv CS 5d ago

Compute-Optimal Network Design for Echocardiography Myocardial Segmentation and Perfusion Quantification using Neural Scaling Laws

Announce Type: cross Abstract: Myocardial perfusion quantification using contrast-enhanced ultrasound offers a bedside non-ionizing alternative to nuclear imaging modalities. However, its clinical adoption is hindered by time-consuming manual labelling. Automated segmentation has proved challenging due to a paucity of in-domain training data.

arXiv CS 2d ago

ALMAB-DC: Active Learning, Multi-Armed Bandits, and Distributed Computing for Sequential Experimental Design and Black-Box Optimization

arXiv:2603.21180v4 Announce Type: replace Abstract: Sequential experimental design under expensive, gradient-free objectives is a central challenge in computational statistics: evaluation budgets are tightly constrained and information must be extracted efficiently from each observation. We propose \textbf{ALMAB-DC}, a GP-based sequential design framework combining active learning, multi-armed bandits (MAB), and distributed asynchronous computing for expensive black-box experimentation. A...

arXiv CS 6d ago

Computer-Aided Tagging on Wikimedia Commons: Designing for Human-AI Collaboration in Open Knowledge Work

arXiv:2605.30800v1 Announce Type: new Abstract: This study investigates Wikimedia Commons contributors' lived experiences with the Computer-Aided Tagging (CAT) tool, an AI-assisted image tagging system designed to improve Commons' discoverability, searchability, accessibility, and multilingual support. Using a qualitative analysis of 595 CAT-related community comments from 11 wiki pages and 16 in-depth interviews, we identify seven key issues that contributed to CAT's mixed reception and...

arXiv CS 9d ago

Accuracy-Configurable Floating-Point Multiplier Design for SRAM-Based Compute-in-Memory

arXiv:2606.08430v1 Announce Type: new Abstract: Digital Compute-in-Memory (DCiM) reduces data movement and has become a promising solution for energy-efficient edge AI. However, most existing DCiM frameworks still primarily target integer or fixed-point arithmetic, and provide limited support for compiler-integrated and accuracy-configurable floating-point computation. Directly integrating conventional IEEE 754 floating-point units into dense SRAM-based DCiM arrays, however, incurs high area...

arXiv CS 1d ago

CHIMERA-Bench: A Benchmark Dataset for Epitope-Specific Antibody Design

arXiv:2603.13431v3 Announce Type: replace Abstract: Computational antibody design has seen rapid methodological progress, with dozens of deep generative methods proposed in the past three years, yet the field lacks a standardized benchmark for fair comparison and model development. These methods are evaluated on different SAbDab snapshots, non-overlapping test sets, and incompatible metrics, and the literature fragments the design problem into numerous sub-tasks with no common definition. We...

arXiv CS 1d ago

Mesh Graph Neural Network Framework for Accelerating Finite Element Simulation for Arbitrary Geometries

arXiv:2606.08287v1 Announce Type: new Abstract: Finite element analysis (FEA) is essential for structural design but remains computationally expensive, particularly when evaluating multiple design iterations or load scenarios. Machine learning surrogate models offer a promising alternative, yet most approaches struggle with a critical limitation: generalizing across varying geometries. This work presents a mesh graph network (MGN) for predicting von Mises stress fields in 2D structural...

arXiv CS 1d ago