Recent advances in self-supervised deep learning have improved our ability to quantify cellular morphological changes in high-throughput microscopy screens, a process known as morphological profiling. However, most current methods only learn from images, despite many screens being inherently multimodal, as they involve both a chemical or genetic perturbation as well as an image-based readout. We hypothesized that incorporating chemical compound structure during self-supervised pre-training could improve learned representations of images in high-throughput microscopy screens. We introduce a representation learning framework, MICON (Molecular-Image Contrastive Learning), that models chemical compounds as treatments that induce counterfactual transformations of cell phenotypes. MICON significantly outperforms classical hand-crafted features such as CellProfiler and existing deep-learning-based representation learning methods in challenging evaluation settings where models must identify reproducible effects of drugs across independent replicates and data-generating centers. We demonstrate that incorporating chemical compound information into the learning process provides consistent improvements in our evaluation setting and that modeling compounds specifically as treatments in a causal framework outperforms approaches that directly align images and compounds in a single representation space. Our findings point to a new direction for representation learning in morphological profiling, suggesting that methods should explicitly account for the multimodal nature of microscopy screening data.

Machine learning and Bayesian optimization (BO) algorithms can significantly accelerate the optimization of chemical reactions. Transfer learning can bolster the effectiveness of BO algorithms in low-data regimes by leveraging pre-existing chemical information or data outside the direct optimization task (i.e., source data). Large language models (LLMs) have demonstrated that chemical information present in foundation training data can give them utility for processing chemical data. Furthermore, they can be augmented with and help synthesize potentially multiple modalities of source chemical data germane to the optimization task. In this work, we examine how chemical information from LLMs can be elicited and used for transfer learning to accelerate the BO of reaction conditions to maximize yield. Specifically, we show that a survey-like prompting scheme and preference learning can be used to infer a utility function which models prior chemical information embedded in LLMs over a chemical parameter space; we find that the utility function shows modest correlation to true experimental measurements (yield) over the parameter space despite operating in a zero-shot setting. Furthermore, we show that the utility function can be leveraged to focus BO efforts in promising regions of the parameter space, improving the yield of the initial BO query and enhancing optimization in 4 of the 6 datasets studied. Overall, we view this work as a step towards bridging the gap between the chemistry knowledge embedded in LLMs and the capabilities of principled BO methods to accelerate reaction optimization.

This story was originally published by WIRED and is reproduced here as part of the Climate Desk collaboration. Last Tuesday, President Donald Trump held a press conference to announce the signing of executive orders intended to shape American energy policy in favor of one particular source: coal, the most carbon-intense fossil fuel. "I call it beautiful, clean coal," President Trump said while flanked by a crowd of miners at the White House. "I tell my people never use the word coal unless you put'beautiful, clean' before it." Trump has talked about saving coal, and coal jobs, for as long as he's been in politics.

Liquid argon time projection chambers are often used in neutrino physics and dark-matter searches because of their high spatial resolution. The images generated by these detectors are extremely sparse, as the energy values detected by most of the detector are equal to 0, meaning that despite their high resolution, most of the detector is unused in a particular interaction. Instead of representing all of the empty detections, the interaction is usually stored as a sparse matrix, a list of detection locations paired with their energy values. Traditional machine learning methods that have been applied to particle reconstruction such as convolutional neural networks (CNNs), however, cannot operate over data stored in this way and therefore must have the matrix fully instantiated as a dense matrix. Operating on dense matrices requires a lot of memory and computation time, in contrast to directly operating on the sparse matrix. We propose a machine learning model using a point set neural network that operates over a sparse matrix, greatly improving both processing speed and accuracy over methods that instantiate the dense matrix, as well as over other methods that operate over sparse matrices. Compared to competing state-of-the-art methods, our method improves classification performance by 14%, segmentation performance by more than 22%, while taking 80% less time and using 66% less memory. Compared to state-of-the-art CNN methods, our method improves classification performance by more than 86%, segmentation performance by more than 71%, while reducing runtime by 91% and reducing memory usage by 61%.

This photo posted by DOGE on Feb. 11, 2025, shows shelving and cardboard boxes which DODGE says workers at the underground mine facility use to store federal worker retirement papers. The White House announces that it will implement AI technology to improve efficiency in federal records keeping. HISTORIC EFFICIENCY: Fox News Digital has learned that the U.S. Office of Personnel Management (OPM) will post an updated Privacy Impact Assessment (PIA) at the close of business Wednesday that paves the way for artificial intelligence to improve government efficiency and enhance the federal record-keeping process. NOT IN KANSAS ANYMORE: The use of artifical intelligence to reimagine the classic film "The Wizard of Oz" will likely see mixed reactions from fans, experts told Fox News Digital. BAD-FAITH TACTICS: OpenAI escalated its legal battle with Elon Musk by countersuing the Tesla and xAI CEO, claiming in a lawsuit he "has tried every tool available to harm" the company.

This research explores the use of Natural Language Processing (NLP) techniques to locate geological resources, with a specific focus on industrial minerals. By using word embeddings trained with the GloVe model, we extract semantic relationships between target keywords and a corpus of geological texts. The text is filtered to retain only words with geographical significance, such as city names, which are then ranked by their cosine similarity to the target keyword. Dimensional reduction techniques, including Principal Component Analysis (PCA), Autoencoder, Variational Autoencoder (VAE), and VAE with Long Short-Term Memory (VAE-LSTM), are applied to enhance feature extraction and improve the accuracy of semantic relations. For benchmarking, we calculate the proximity between the ten cities most semantically related to the target keyword and identified mine locations using the haversine equation. The results demonstrate that combining NLP with dimensional reduction techniques provides meaningful insights into the spatial distribution of natural resources. Although the result shows to be in the same region as the supposed location, the accuracy has room for improvement.

Relocalization, the process of re-establishing a robot's position within an environment, is crucial for ensuring accurate navigation and task execution when external positioning information, such as GPS, is unavailable or has been lost. Subterranean environments present significant challenges for relocalization due to limited external positioning information, poor lighting that affects camera localization, irregular and often non-distinct surfaces, and dust, which can introduce noise and occlusion in sensor data. In this work, we propose a robust, computationally friendly framework for relocalization through point cloud registration utilizing a prior point cloud map. The framework employs Intrinsic Shape Signatures (ISS) to select feature points in both the target and prior point clouds. The Fast Point Feature Histogram (FPFH) algorithm is utilized to create descriptors for these feature points, and matching these descriptors yields correspondences between the point clouds. A 3D transformation is estimated using the matched points, which initializes a Normal Distribution Transform (NDT) registration. The transformation result from NDT is further refined using the Iterative Closest Point (ICP) registration algorithm. This framework enhances registration accuracy even in challenging conditions, such as dust interference and significant initial transformations between the target and source, making it suitable for autonomous robots operating in underground mines and tunnels. This framework was validated with experiments in simulated and real-world mine datasets, demonstrating its potential for improving relocalization.

Photon detection is important for liquid argon detectors for direct dark matter searches or neutrino property measurements. Precise simulation of photon transport is widely used to understand the probability of photon detection in liquid argon detectors. Traditional photon transport simulation, which tracks every photon using theGeant4simulation toolkit, is a major computational challenge for kilo-tonne-scale liquid argon detectors and GeV-level energy depositions. In this work, we propose a one-dimensional generative model which efficiently generates features using an OuterProduct-layer. This model bypasses photon transport simulation and predicts the number of photons detected by particular photon detectors at the same level of detail as theGeant4simulation. The application to simulating photon detection systems in kilo-tonne-scale liquid argon detectors demonstrates this novel generative model is able to reproduceGeant4simulation with good accuracy and 20 to 50 times faster. This generative model can be used to quickly predict photon detection probability in huge liquid argon detectors like ProtoDUNE or DUNE.

A pair of studies analyzing the effects of AI on our planet have been released and the news is fairly grim. Greenpeace studied the emissions generated from the production of the semiconductors used in AI chips and found that there was a fourfold increase in 2024. This analysis was completed using publicly available data. Many of the big chipmakers like NVIDIA rely on companies like Taiwan Semiconductor Manufacturing Co and SK Hynix Inc. for the components of GPUs and memory units. Most of this manufacturing happens in Taiwan, South Korea and Japan, where power grids are primarily reliant on fossil fuels.

Solving black-box optimization problems with Ising machines is increasingly common in materials science. However, their application to crystal structure prediction (CSP) is still ineffective due to symmetry agnostic encoding of atomic coordinates. We introduce CRYSIM, an algorithm that encodes the space group, the Wyckoff positions combination, and coordinates of independent atomic sites as separate variables. This encoding reduces the search space substantially by exploiting the symmetry in space groups. When CRYSIM is interfaced to Fixstars Amplify, a GPU-based Ising machine, its prediction performance was competitive with CALYPSO and Bayesian optimization for crystals containing more than 150 atoms in a unit cell. Although it is not realistic to interface CRYSIM to current small-scale quantum devices, it has the potential to become the standard CSP algorithm in the coming quantum age.