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Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…
High-fidelity simulation models are widely used to analyze complex stochastic systems, but their high computational cost motivates the development of cheaper surrogate models that approximate the simulation model's input-output…
Recent advancements in software and hardware technologies have enabled the use of AI/ML models in everyday applications has significantly improved the quality of service rendered. However, for a given application, finding the right AI/ML…
Attention-based encoder decoder network uses a left-to-right beam search algorithm in the inference step. The current beam search expands hypotheses and traverses the expanded hypotheses at the next time step. This traversal is implemented…
For stochastic process models, parameter inference is often severely bottlenecked by computationally expensive likelihood functions. Simulation-based inference (SBI) bypasses this restriction by constructing amortized surrogate likelihoods,…
A key goal of modern materials science is accelerating the pace of materials discovery. Self-driving labs, or systems that select experiments using machine learning and then execute them using automation, are designed to fulfil this promise…
Speculative decoding accelerates LLM inference by using a smaller draft model to speculate tokens that a larger target model verifies. Verification is often the bottleneck (e.g. verification is $4\times$ slower than token generation when a…
Speculative Decoding has gained popularity as an effective technique for accelerating the auto-regressive inference process of Large Language Models. However, Speculative Decoding entirely relies on the availability of efficient draft…
Large language models (LLMs) often face a bottleneck in inference speed due to their reliance on auto-regressive decoding. Recently, parallel decoding has shown significant promise in enhancing inference efficiency. However, we have…
Training large language models with reinforcement learning (RL) against verifiable rewards significantly enhances their reasoning abilities, yet remains computationally expensive due to inefficient uniform prompt sampling. We introduce…
Duplicate marking is a critical preprocessing step in gene sequence analysis to flag redundant reads arising from polymerase chain reaction(PCR) amplification and sequencing artifacts. Although Picard MarkDuplicates is widely recognized as…
The practice of speculative decoding, whereby inference is probabilistically supported by a smaller, cheaper, ``drafter'' model, has become a standard technique for systematically reducing the decoding time of large language models. This…
Monte Carlo simulation is often used for the reliability assessment of power systems, but it converges slowly when the system is complex. Multilevel Monte Carlo (MLMC) can be applied to speed up computation without compromises on model…
Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…
Recent advancements in Machine Learning (ML) have substantially improved its predictive and computational abilities, offering promising opportunities for surrogate modeling in scientific applications. By accurately approximating complex…
When designing evidence-based policies and programs, decision-makers must distill key information from a vast and rapidly growing literature base. Identifying relevant literature from raw search results is time and resource intensive, and…
This paper analyzes the computational complexity of validated interval methods for uncertain nonlinear systems and steady-state enclosure. Interval analysis produces guaranteed enclosures that account for uncertainty and round-off, but its…
Recent advances in reasoning models have demonstrated significant improvements in accuracy by employing detailed and comprehensive reasoning processes. However, generating these lengthy reasoning sequences is computationally expensive and…
Short answer scoring (SAS) is the task of grading short text written by a learner. In recent years, deep-learning-based approaches have substantially improved the performance of SAS models, but how to guarantee high-quality predictions…
In high performance computing environments, we observe an ongoing increase in the available numbers of cores. This development calls for re-emphasizing performance (scalability) analysis and speedup laws as suggested in the literature…