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Multi-Objective Bayesian Optimization for Networked Black-Box Systems: A Path to Greener Profits and Smarter Designs

arXiv.org Machine Learning

Designing modern industrial systems requires balancing several competing objectives, such as profitability, resilience, and sustainability, while accounting for complex interactions between technological, economic, and environmental factors. Multi-objective optimization (MOO) methods are commonly used to navigate these tradeoffs, but selecting the appropriate algorithm to tackle these problems is often unclear, particularly when system representations vary from fully equation-based (white-box) to entirely data-driven (black-box) models. While grey-box MOO methods attempt to bridge this gap, they typically impose rigid assumptions on system structure, requiring models to conform to the underlying structural assumptions of the solver rather than the solver adapting to the natural representation of the system of interest. In this chapter, we introduce a unifying approach to grey-box MOO by leveraging network representations, which provide a general and flexible framework for modeling interconnected systems as a series of function nodes that share various inputs and outputs. Specifically, we propose MOBONS, a novel Bayesian optimization-inspired algorithm that can efficiently optimize general function networks, including those with cyclic dependencies, enabling the modeling of feedback loops, recycle streams, and multi-scale simulations - features that existing methods fail to capture. Furthermore, MOBONS incorporates constraints, supports parallel evaluations, and preserves the sample efficiency of Bayesian optimization while leveraging network structure for improved scalability. We demonstrate the effectiveness of MOBONS through two case studies, including one related to sustainable process design. By enabling efficient MOO under general graph representations, MOBONS has the potential to significantly enhance the design of more profitable, resilient, and sustainable engineering systems.


Safe Reinforcement Learning for Real-World Engine Control

arXiv.org Artificial Intelligence

This work introduces a toolchain for applying Reinforcement Learning (RL), specifically the Deep Deterministic Policy Gradient (DDPG) algorithm, in safety-critical real-world environments. As an exemplary application, transient load control is demonstrated on a single-cylinder internal combustion engine testbench in Homogeneous Charge Compression Ignition (HCCI) mode, that offers high thermal efficiency and low emissions. However, HCCI poses challenges for traditional control methods due to its nonlinear, autoregressive, and stochastic nature. RL provides a viable solution, however, safety concerns, such as excessive pressure rise rates, must be addressed when applying to HCCI. A single unsuitable control input can severely damage the engine or cause misfiring and shut down. Additionally, operating limits are not known a priori and must be determined experimentally. To mitigate these risks, real-time safety monitoring based on the k-nearest neighbor algorithm is implemented, enabling safe interaction with the testbench. The feasibility of this approach is demonstrated as the RL agent learns a control policy through interaction with the testbench. A root mean square error of 0.1374 bar is achieved for the indicated mean effective pressure, comparable to neural network-based controllers from the literature. The toolchain's flexibility is further demonstrated by adapting the agent's policy to increase ethanol energy shares, promoting renewable fuel use while maintaining safety. This RL approach addresses the longstanding challenge of applying RL to safety-critical real-world environments. The developed toolchain, with its adaptability and safety mechanisms, paves the way for future applicability of RL in engine testbenches and other safety-critical settings.


A generalizable framework for unlocking missing reactions in genome-scale metabolic networks using deep learning

arXiv.org Artificial Intelligence

Incomplete knowledge of metabolic processes hinders the accuracy of GEnome-scale Metabolic models (GEMs), which in turn impedes advancements in systems biology and metabolic engineering. Existing gap-filling methods typically rely on phenotypic data to minimize the disparity between computational predictions and experimental results. However, there is still a lack of an automatic and precise gap-filling method for initial state GEMs before experimental data and annotated genomes become available. In this study, we introduce CLOSEgaps, a deep learning-driven tool that addresses the gap-filling issue by modeling it as a hyperedge prediction problem within GEMs. Specifically, CLOSEgaps maps metabolic networks as hypergraphs and learns their hyper-topology features to identify missing reactions and gaps by leveraging hypothetical reactions. This innovative approach allows for the characterization and curation of both known and hypothetical reactions within metabolic networks. Extensive results demonstrate that CLOSEgaps accurately gap-filling over 96% of artificially introduced gaps for various GEMs. Furthermore, CLOSEgaps enhances phenotypic predictions for 24 GEMs and also finds a notable improvement in producing four crucial metabolites (Lactate, Ethanol, Propionate, and Succinate) in two organisms. As a broadly applicable solution for any GEM, CLOSEgaps represents a promising model to automate the gap-filling process and uncover missing connections between reactions and observed metabolic phenotypes.


Induction Heads as an Essential Mechanism for Pattern Matching in In-context Learning

arXiv.org Artificial Intelligence

As Large language models have shown a remarkable a significant milestone in this area, Elhage et al. ability to learn and perform complex tasks through (2021) demonstrated the existence of induction in-context learning (ICL) (Brown et al., 2020; Touvron heads in Transformer LMs. These heads scan the et al., 2023b). In ICL, the model receives context for previous instances of the current token a demonstration context and a query question as using a prefix matching mechanism, which identifies a prompt for prediction. Unlike supervised learning, if and where a token has appeared before. ICL utilises the pretrained model's capabilities If a matching token is found, the head employs to recognise and replicate patterns within the a copying mechanism to increase the probability demonstration context, thereby enabling accurate of the subsequent token, facilitating exact or approximate predictions for the query without the use of gradient repetition of sequences and embodying updates.


The Download: Sam Altman on AI's killer function, and the problem with ethanol

MIT Technology Review

Sam Altman, CEO of OpenAI, has a vision for how AI tools will become enmeshed in our daily lives. During a sit-down chat with MIT Technology Review in Cambridge, Massachusetts, he described how he sees the killer app for AI as a "super-competent colleague that knows absolutely everything about my whole life, every email, every conversation I've ever had, but doesn't feel like an extension." In the new paradigm, as Altman sees it, AI will be capable of helping us outside the chat interface and taking real-world tasks off our plates. Read more about Altman's thoughts on the future of AI hardware, where training data will come from next, and who is best poised to create AGI. Eliminating carbon pollution from aviation is one of the most challenging parts of the climate puzzle, simply because large commercial airlines are too heavy and need too much power during takeoff for today's batteries to do the job.


Task Contamination: Language Models May Not Be Few-Shot Anymore

arXiv.org Artificial Intelligence

Large language models (LLMs) offer impressive performance in various zero-shot and few-shot tasks. However, their success in zero-shot and few-shot settings may be affected by task contamination, a potential limitation that has not been thoroughly examined. This paper investigates how zero-shot and few-shot performance of LLMs has changed chronologically over time. Utilizing GPT-3 series models and several other recent open-sourced LLMs, and controlling for dataset difficulty, we find that on datasets released before the LLM training data creation date, LLMs perform surprisingly better than on datasets released after. This strongly indicates that, for many LLMs, there exists task contamination on zero-shot and few-shot evaluation for datasets released prior to the LLMs' training data creation date. Additionally, we utilize training data inspection, task example extraction, and a membership inference attack, which reveal further evidence of task contamination. Importantly, we find that for classification tasks with no possibility of task contamination, LLMs rarely demonstrate statistically significant improvements over simple majority baselines, in both zero and few-shot settings.


GistScore: Learning Better Representations for In-Context Example Selection with Gist Bottlenecks

arXiv.org Artificial Intelligence

Large language models (LLMs) have the ability to perform in-context learning (ICL) of new tasks by conditioning on prompts comprising a few task examples. This work studies the problem of selecting the best examples given a candidate pool to improve ICL performance on given a test input. Existing approaches either require training with feedback from a much larger LLM or are computationally expensive. We propose a novel metric, GistScore, based on Example Gisting, a novel approach for training example retrievers for ICL using an attention bottleneck via Gisting, a recent technique for compressing task instructions. To tradeoff performance with ease of use, we experiment with both fine-tuning gist models on each dataset and multi-task training a single model on a large collection of datasets. On 21 diverse datasets spanning 9 tasks, we show that our fine-tuned models get state-of-the-art ICL performance with 20% absolute average gain over off-the-shelf retrievers and 7% over the best prior methods. Our multi-task model generalizes well out-of-the-box to new task categories, datasets, and prompt templates with retrieval speeds that are consistently thousands of times faster than the best prior training-free method.


Enhanced Crop Forecasting for Ethanol Producers

#artificialintelligence

The combination of data-rich remote sensing and new machine learning approaches is creating a revolution in yield forecasting, with accurate and …


How a 30-Ton Robot Could Help Crops Withstand Climate Change

WSJ.com: WSJD - Technology

The 70-foot-tall colossus, called a "Field Scanalyzer," is the world's biggest agricultural robot, the project's researchers say. Resembling an oversize scaffold with a box perched in its middle, it lumbers daily over 2 acres of crops including sorghum, lettuce and wheat, its cluster of electronic eyes assessing their temperature, shape and hue, the angle of each leaf. The Scanalyzer beams this data--up to 10 terabytes a day, roughly equivalent to about 2.6 million copies of Tolstoy's "War and Peace"--to computers in Illinois and Missouri. Analyzing the range and depth of data generated is possible only with machine-learning algorithms, according to data scientists at George Washington University and St. Louis University, where researchers are teaching the computers to identify connections between specific genes and plant traits the Scanalyzer observes. Deep learning, a form of AI that uses conclusions from data to further refine a system, can also help pinpoint how some varieties of a plant may subtly differ from one another in ways that plant scientists may not anticipate, researchers say.


IIT Hyderabad Researchers Use Machine Learning Algorithms To Study Supply Chain Network Of Biofuels

#artificialintelligence

IIT Hyderabad Researchers are using computational methods to understand the factors and impediments in incorporating biofuels into the fuel sector in India. This work has been spurred by the increasing need to replace fossil fuels by bio-derived fuels, which, in turn, is driven by the dwindling fossil fuel reserves all over the world, and pollution issues associated with the use of fossil fuels. The model developed by the IIT Hyderabad team has shown that in the area of bioethanol integration into mainstream fuel use, the production cost is the highest (43 per cent) followed by import (25 per cent), transport (17 per cent), infrastructure (15 per cent) and inventory (0.43 per cent) costs. The model has also shown that feed availability to the tune of at least 40 per cent of the capacity is needed to meet the projected demands. A unique feature of this work is that the framework considers revenue generation not only as an outcome of sales of the biofuel but also in terms of carbon credits via greenhouse gas emission savings throughout the project lifecycle.