Search for: All records

Computer-aided synthesis planning (CASP) algorithms have demonstrated expertlevel abilities in planning retrosynthetic routes to molecules of low to moderate complexity. However, current search methods assume the sufficiency of reaching arbitrary building blocks, failing to address the common real-world constraint where using specific molecules is desired. To this end, we present a formulation of synthesis planning with starting material constraints. Under this formulation, we propose Double-Ended Synthesis Planning (DESP), a novel CASP algorithm under a bidirectional graph search scheme that interleaves expansions from the target and from the goal starting materials to ensure constraint satisfiability. The search algorithm is guided by a goal-conditioned cost network learned offline from a partially observed hypergraph of valid chemical reactions. We demonstrate the utility of DESP in improving solve rates and reducing the number of search expansions by biasing synthesis planning towards expert goals on multiple new benchmarks. DESP can make use of existing one-step retrosynthesis models, and we anticipate its performance to scale as these one-step model capabilities improve. 

Anatomy education is an indispensable part of medical training, but traditional methods face challenges like limited resources for dissection in large classes and difficulties understanding 2D anatomy in textbooks. Advanced technologies, such as 3D visualization and augmented reality (AR), are transforming anatomy learning. This paper presents two in-house solutions that use handheld tablets or screen-based AR to visualize 3D anatomy models with informative labels and in-situ visualizations of the muscle anatomy. To assess these tools, a user study of muscle anatomy education involved 236 premedical students in dyadic teams, with results showing that the tablet-based 3D visualization and screen-based AR tools led to significantly higher learning experience scores than traditional textbook. While knowledge retention didn’t differ significantly, ethnographic and gender analysis showed that male students generally reported more positive learning experiences than female students. This study discusses the implications for anatomy and medical education, highlighting the potential of these innovative learning tools considering gender and team dynamics in body painting anatomy learning interventions. 

Recently, utilizing ReRAM crossbar array to accelerate DNN inference on single task has been widely studied. However, using the crossbar array for multiple task adaption has not been well explored. In this paper, for the first time, we propose XBM, a novel crossbar column-wise binary mask learning method for multiple task adaption in ReRAM crossbar DNN accelerator. XBM leverages the mask-based learning algorithm's benefit to avoid catastrophic forgetting to learn a task-specific mask for each new task. With our hardware-aware design innovation, the required masking operation to adapt for a new task could be easily implemented in existing crossbar based convolution engine with minimal hardware/ memory overhead and, more importantly, no need of power hungry cell re-programming, unlike prior works. The extensive experimental results show that compared with state-of-the-art multiple task adaption methods, XBM keeps the similar accuracy on new tasks while only requires 1.4% mask memory size compared with popular piggyback. Moreover, the elimination of cell re-programming or tuning saves up to 40% energy during new task adaption.