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While the open-source software development model has led to successful large-scale collaborations in building software systems, data science projects are frequently developed by individuals or small teams. We describe challenges to scaling…

Nowadays, this is very popular to use the deep architectures in machine learning. Deep Belief Networks (DBNs) are deep architectures that use stack of Restricted Boltzmann Machines (RBM) to create a powerful generative model using training…

We present VLMEvalKit: an open-source toolkit for evaluating large multi-modality models based on PyTorch. The toolkit aims to provide a user-friendly and comprehensive framework for researchers and developers to evaluate existing…

The electronic design automation (EDA) community has been actively exploring machine learning (ML) for very large-scale integrated computer-aided design (VLSI CAD). Many studies explored learning-based techniques for cross-stage prediction…

Machine learning has proved to be a useful tool for extracting knowledge from scientific data in numerous research fields, including astrophysics, genomics, and molecular dynamics. Often, data sets from these research areas need to be…

Scientific progress is tightly coupled to the emergence of new research tools. Today, machine learning (ML)-especially deep learning (DL)-has become a transformative instrument for quantum science and technology. Owing to the intrinsic…

As machine learning (ML) systems are increasingly adopted in high-stakes decision-making domains, ensuring fairness in their outputs has become a central challenge. At the core of fair ML research are the datasets used to investigate bias…

It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…

While the Machine Learning (ML) landscape is evolving rapidly, there has been a relative lag in the development of the "learning systems" needed to enable broad adoption. Furthermore, few such systems are designed to support the specialized…

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted…

Understanding and predicting the properties of inorganic materials is crucial for accelerating advancements in materials science and driving applications in energy, electronics, and beyond. Integrating material structure data with…

Recent years have seen the development of many open-source ML fairness toolkits aimed at helping ML practitioners assess and address unfairness in their systems. However, there has been little research investigating how ML practitioners…

YAMLE: Yet Another Machine Learning Environment is an open-source framework that facilitates rapid prototyping and experimentation with machine learning (ML) models and methods. The key motivation is to reduce repetitive work when…

The impressive multimodal capabilities demonstrated by OpenAI's GPT-4 have generated significant interest in the development of Multimodal Large Language Models (MLLMs). Visual instruction tuning of MLLMs with machine-generated…

Current trends point to a future where large-scale scientific applications are tightly-coupled HPC/AI hybrids. Hence, we urgently need to invest in creating a seamless, scalable framework where HPC and AI/ML can efficiently work together…

Collaborative filtering (CF) is widely adopted in industrial recommender systems (RecSys) for modeling user-item interactions across numerous applications, but often struggles with cold-start and data-sparse scenarios. Recent advancements…

The rapid advancements in Large Language Models (LLMs) have significantly expanded their applications, ranging from multilingual support to domain-specific tasks and multimodal integration. In this paper, we present OmniEvalKit, a novel…

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

MDL, Multimodal Deep Learning Library, is a deep learning framework that supports multiple models, and this document explains its philosophy and functionality. MDL runs on Linux, Mac, and Unix platforms. It depends on OpenCV.

Large language models (LLMs) have exhibited remarkable capabilities across various domains. The ability to call external tools further expands their capability to handle real-world tasks. However, LLMs often follow an opaque reasoning…