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Molecular conformation generation (MCG) is a fundamental and important problem in drug discovery. Many traditional methods have been developed to solve the MCG problem, such as systematic searching, model-building, random searching,…
The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve…
The development of robust artificial intelligence models for histopathology diagnosis is severely constrained by the scarcity of expert-annotated lesion data, particularly for rare pathologies and underrepresented disease subtypes. While…
Rapidly applying the effects of detector response to physics objects (e.g. electrons, muons, showers of particles) is essential in high energy physics. Currently available tools for the transformation from truth-level physics objects to…
Deep convolutional neural networks have achieved exceptional results on multiple detection and recognition tasks. However, the performance of such detectors are often evaluated in public benchmarks under constrained and non-realistic…
Recently, there has been a wealth of development in motion planning for robotic manipulation new motion planners are continuously proposed, each with their own unique strengths and weaknesses. However, evaluating new planners is challenging…
Process mining is a methodology for the derivation and analysis of process models based on the event log. When process mining is employed to analyze business processes, the process discovery step, the conformance checking step, and the…
Data science agents promise to accelerate discovery and insight-generation by turning data into executable analyses and findings. Yet existing data science benchmarks fall short due to fragmented evaluation interfaces that make…
Recent advancements in data-driven approaches, such as Neural Operator (NO), have demonstrated their effectiveness in reducing the solving time of Partial Differential Equations (PDEs). However, one major challenge faced by these approaches…
The de novo design of molecular structures using deep learning generative models introduces an encouraging solution to drug discovery in the face of the continuously increased cost of new drug development. From the generation of original…
Multi-task learning is a popular machine learning approach that enables simultaneous learning of multiple related tasks, improving algorithmic efficiency and effectiveness. In the hard parameter sharing approach, an encoder shared through…
When humans perform inductive learning, they often enhance the process with background knowledge. With the increasing availability of well-formed collaborative knowledge bases, the performance of learning algorithms could be significantly…
AI technologies are moving rapidly from research to production. With the popularity of Foundation Models (FMs) that generate text, images, and video, AI-based systems are increasing their complexity. Compared to traditional AI-based…
Dynamic Algorithm Configuration (DAC) aims to dynamically control a target algorithm's hyperparameters in order to improve its performance. Several theoretical and empirical results have demonstrated the benefits of dynamically controlling…
Numerical reasoning over hybrid data containing tables and long texts has recently received research attention from the AI community. To generate an executable reasoning program consisting of math and table operations to answer a question,…
In the Data-Centric Artificial Intelligence (AI) paradigm, improving data quality is essential for robust machine learning. However, many denoising methods rely on rigid statistical assumptions or require clean reference data, which limits…
Generating human motion that satisfies customized zero-shot goal functions, enabling applications such as controllable character animation and behavior synthesis for virtual agents, is a critical capability. While current approaches handle…
Progress in hardware model checking depends critically on high-quality benchmarks. However, the community faces a significant benchmark gap: existing suites are limited in number, often distributed only in representations such as BTOR2…
While language models (LMs) have proven remarkably adept at generating code, many programs are challenging for LMs to generate using their parametric knowledge alone. Providing external contexts such as library documentation can facilitate…
Dynamic contingency screening is a challenging task in dynamic security assessment, when traditional numerical approaches are computationally intensive and often not able to repeatedly solve full AC power flow for all possible contingencies…