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Transforming organic chemistry research paradigms: moving from manual efforts to the intersection of automation and artificial intelligence

arXiv.org Artificial Intelligence

Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive approach to a new era dominated by automation and artificial intelligence (AI). This transformative shift is being driven by technological advances, the ever-increasing demand for greater research efficiency and accuracy, and the burgeoning growth of interdisciplinary research. AI models, supported by computational power and algorithms, are drastically reshaping synthetic planning and introducing groundbreaking ways to tackle complex molecular synthesis. In addition, autonomous robotic systems are rapidly accelerating the pace of discovery by performing tedious tasks with unprecedented speed and precision. This article examines the multiple opportunities and challenges presented by this paradigm shift and explores its far-reaching implications. It provides valuable insights into the future trajectory of organic chemistry research, which is increasingly defined by the synergistic interaction of automation and AI.


Class-Adaptive Sampling Policy for Efficient Continual Learning

arXiv.org Artificial Intelligence

Continual learning (CL) aims to acquire new knowledge while preserving information from previous experiences without forgetting. Though buffer-based methods (i.e., retaining samples from previous tasks) have achieved acceptable performance, determining how to allocate the buffer remains a critical challenge. Most recent research focuses on refining these methods but often fails to sufficiently consider the varying influence of samples on the learning process, and frequently overlooks the complexity of the classes/concepts being learned. Generally, these methods do not directly take into account the contribution of individual classes. However, our investigation indicates that more challenging classes necessitate preserving a larger number of samples compared to less challenging ones. To address this issue, we propose a novel method and policy named 'Class-Adaptive Sampling Policy' (CASP), which dynamically allocates storage space within the buffer. By utilizing concepts of class contribution and difficulty, CASP adaptively manages buffer space, allowing certain classes to occupy a larger portion of the buffer while reducing storage for others. This approach significantly improves the efficiency of knowledge retention and utilization. CASP provides a versatile solution to boost the performance and efficiency of CL. It meets the demand for dynamic buffer allocation, accommodating the varying contributions of different classes and their learning complexities over time.


Students' interest in knowledge acquisition in Artificial Intelligence

arXiv.org Artificial Intelligence

Some students' expectations and points of view related to the Artificial Intelligence course are explored and analyzed in this study. We anonymous collected answers from 58 undergraduate students out of 200 enrolled in the Computer Science specialization. The answers were analysed and interpreted using thematic analysis to find out their interests and attractive and unattractive aspects related to the Artificial Intelligence study topic. We concluded that students are interested in Artificial Intelligence due to its trendiness, applicability, their passion and interest in the subject, the potential for future growth, and high salaries. However, the students' expectations were mainly related to achieving medium knowledge in the Artificial Intelligence field, and men seem to be more interested in acquiring high-level skills than women. The most common part that wasn't enjoyed by the students was the mathematical aspect used in Artificial Intelligence. Some of them (a small group) were also aware of the Artificial Intelligence potential which could be used in an unethical manner for negative purposes. Our study also provides a short comparison to the Databases course, in which students were not that passionate or interested in achieving medium knowledge, their interest was related to DB usage and basic information.


A Comparative and Experimental Study on Automatic Question Answering Systems and its Robustness against Word Jumbling

arXiv.org Artificial Intelligence

We aim to understand and improve the performance of these state of the art Question answer generation using Natural Language models on different levels of noise. A model that Processing models is ubiquitous in the is robust to context corruption can increase the satisfaction world around us. It is used in many use cases such of the users of the system, especially for as the building of chat bots, suggestive prompts in people whose English is not their native language. It is and answer questions appropriately. This is highly relevant because a frequently asked questions relevant because many times we do not have control (FAQ) list can only have a finite amount of of the sources of data and how it is generated. In such cases, it becomes highly important to be able to answer new questions accurately as for the models to be able to understand and process long as it is a relevant question. In commercial this text which is riddled with noise.


Concept Distillation: Leveraging Human-Centered Explanations for Model Improvement

arXiv.org Artificial Intelligence

Humans use abstract concepts for understanding instead of hard features. Recent interpretability research has focused on human-centered concept explanations of neural networks. Concept Activation Vectors (CAVs) estimate a model's sensitivity and possible biases to a given concept. In this paper, we extend CAVs from post-hoc analysis to ante-hoc training in order to reduce model bias through fine-tuning using an additional Concept Loss. Concepts were defined on the final layer of the network in the past. We generalize it to intermediate layers using class prototypes. This facilitates class learning in the last convolution layer, which is known to be most informative. We also introduce Concept Distillation to create richer concepts using a pre-trained knowledgeable model as the teacher. Our method can sensitize or desensitize a model towards concepts. We show applications of concept-sensitive training to debias several classification problems. We also use concepts to induce prior knowledge into IID, a reconstruction problem. Concept-sensitive training can improve model interpretability, reduce biases, and induce prior knowledge. Please visit https://avani17101.github.io/Concept-Distilllation/ for code and more details.


Double Reverse Regularization Network Based on Self-Knowledge Distillation for SAR Object Classification

arXiv.org Artificial Intelligence

In current synthetic aperture radar (SAR) object classification, one of the major challenges is the severe overfitting issue due to the limited dataset (few-shot) and noisy data. Considering the advantages of knowledge distillation as a learned label smoothing regularization, this paper proposes a novel Double Reverse Regularization Network based on Self-Knowledge Distillation (DRRNet-SKD). Specifically, through exploring the effect of distillation weight on the process of distillation, we are inspired to adopt the double reverse thought to implement an effective regularization network by combining offline and online distillation in a complementary way. Then, the Adaptive Weight Assignment (AWA) module is designed to adaptively assign two reverse-changing weights based on the network performance, allowing the student network to better benefit from both teachers. The experimental results on OpenSARShip and FUSAR-Ship demonstrate that DRRNet-SKD exhibits remarkable performance improvement on classical CNNs, outperforming state-of-the-art self-knowledge distillation methods.


ChatGPT and Beyond: The Generative AI Revolution in Education

arXiv.org Artificial Intelligence

The wide adoption and usage of generative artificial intelligence (AI) models, particularly ChatGPT, has sparked a surge in research exploring their potential applications in the educational landscape. This survey examines academic literature published between November, 2022, and July, 2023, specifically targeting high-impact research from Scopus-indexed Q1 and Q2 journals. This survey delves into the practical applications and implications of generative AI models across a diverse range of educational contexts. Through a comprehensive and rigorous evaluation of recent academic literature, this survey seeks to illuminate the evolving role of generative AI models, particularly ChatGPT, in education. By shedding light on the potential benefits, challenges, and emerging trends in this dynamic field, the survey endeavors to contribute to the understanding of the nexus between artificial intelligence and education. The findings of this review will empower educators, researchers, and policymakers to make informed decisions about the integration of AI technologies into learning environments.


Neural Network Models of Becoming a Cardinal Principle Knower

arXiv.org Artificial Intelligence

As children enter elementary school, their understanding of the ordinal structure of numbers transitions from a memorized count list of the first 50-100 numbers to knowing the successor function and understanding the countably infinite. We investigate this developmental change in two neural network models that learn the successor function on the pairs (N, N+1) for N in (0, 98). The first uses a one-hot encoding of the input and output values and corresponds to children memorizing a count list, while the second model uses a place-value encoding and corresponds to children learning the language rules for naming numbers. The place-value model showed a predicted drop in representational similarity across tens boundaries. Counting across a tens boundary can be understood as a vector operation in 2D space, where the numbers with the same tens place are organized in a linearly separable manner, whereas those with the same ones place are grouped together. A curriculum learning simulation shows that, in the expanding numerical environment of the developing child, representations of smaller numbers continue to be sharpened even as larger numbers begin to be learned. These models set the stage for future work using recurrent architectures to move beyond learning the successor function to simulating the counting process more generally, and point towards a deeper understanding of what it means to understand the countably infinite.


Education distillation:getting student models to learn in shcools

arXiv.org Artificial Intelligence

Knowledge distillation is one of the methods for model compression, and existing knowledge distillation techniques focus on how to improve the distillation algorithm so as to enhance the distillation efficiency. This paper introduces dynamic incremental learning into knowledge distillation and proposes a distillation strategy for education distillation. Specifically, it is proposed to take fragmented student models divided from the complete student model as lower-grade models. As the grade level rises, fragmented student models deepen in conjunction with designed teaching reference layers, while learning and distilling from more teacher models. By moving from lower to higher grades, fragmented student models were gradually integrated into a complete target student model, and the performance of the student models gradually improved from lower to higher grades of the stage. Education distillation strategies combined with distillation algorithms outperform the results of single distillation algorithms on the public dataset CIFAR100,Caltech256, Food-101 dataset.


Mirror: A Universal Framework for Various Information Extraction Tasks

arXiv.org Artificial Intelligence

Sharing knowledge between information extraction tasks has always been a challenge due to the diverse data formats and task variations. Meanwhile, this divergence leads to information waste and increases difficulties in building complex applications in real scenarios. Recent studies often formulate IE tasks as a triplet extraction problem. However, such a paradigm does not support multi-span and n-ary extraction, leading to weak versatility. To this end, we reorganize IE problems into unified multi-slot tuples and propose a universal framework for various IE tasks, namely Mirror. Specifically, we recast existing IE tasks as a multi-span cyclic graph extraction problem and devise a non-autoregressive graph decoding algorithm to extract all spans in a single step. It is worth noting that this graph structure is incredibly versatile, and it supports not only complex IE tasks, but also machine reading comprehension and classification tasks. We manually construct a corpus containing 57 datasets for model pretraining, and conduct experiments on 30 datasets across 8 downstream tasks. The experimental results demonstrate that our model has decent compatibility and outperforms or reaches competitive performance with SOTA systems under few-shot and zero-shot settings. The code, model weights, and pretraining corpus are available at https://github.com/Spico197/Mirror .