Large language models (LLMs) have made impressive progress in chemistry applications, including molecular property prediction, molecular generation, experimental protocol design, etc. However, the community lacks a dialogue-based model specifically designed for chemistry. The challenge arises from the fact that most chemical data and scientific knowledge are primarily stored in structured databases, and the direct use of these structured data compromises the model's ability to maintain coherent dialogue. To tackle this issue, we develop a novel template-based instruction construction method that transforms structured knowledge into plain dialogue, making it suitable for language model training. By leveraging this approach, we develop ChemLLM, the first large language model dedicated to chemistry, capable of performing various tasks across chemical disciplines with smooth dialogue interaction. ChemLLM beats GPT-3.5 on all three principal tasks in chemistry, i.e., name conversion, molecular caption, and reaction prediction, and surpasses GPT-4 on two of them. Remarkably, ChemLLM also shows exceptional adaptability to related mathematical and physical tasks despite being trained mainly on chemical-centric corpora. Furthermore, ChemLLM demonstrates proficiency in specialized NLP tasks within chemistry, such as literature translation and cheminformatic programming. ChemLLM opens up a new avenue for exploration within chemical studies, while our method of integrating structured chemical knowledge into dialogue systems sets a new frontier for developing LLMs across various scientific fields. Codes, Datasets, and Model weights are publicly accessible at hf.co/AI4Chem/ChemLLM-7B-Chat.

We present a distributed quasi-Newton (DQN) method, which enables a group of agents to compute an optimal solution of a separable multi-agent optimization problem locally using an approximation of the curvature of the aggregate objective function. Each agent computes a descent direction from its local estimate of the aggregate Hessian, obtained from quasi-Newton approximation schemes using the gradient of its local objective function. Moreover, we introduce a distributed quasi-Newton method for equality-constrained optimization (EC-DQN), where each agent takes Karush-Kuhn-Tucker-like update steps to compute an optimal solution. In our algorithms, each agent communicates with its one-hop neighbors over a peer-to-peer communication network to compute a common solution. We prove convergence of our algorithms to a stationary point of the optimization problem. In addition, we demonstrate the competitive empirical convergence of our algorithm in both well-conditioned and ill-conditioned optimization problems, in terms of the computation time and communication cost incurred by each agent for convergence, compared to existing distributed first-order and second-order methods. Particularly, in ill-conditioned problems, our algorithms achieve a faster computation time for convergence, while requiring a lower communication cost, across a range of communication networks with different degrees of connectedness, by leveraging information on the curvature of the problem.

The continuing deployment of renewables and battery energy storage systems is likely to lead to increased price volatility Martinez-Anido et al. (2016); Eurostat (2022). The Balancing Market (BM) is the last stage for trading electric energy, exhibiting far higher volatility compared to both the Day-Ahead Market (DAM) and Intra Day Market (IDM). It plays an essential role (in particular in regions where storage of large quantities of electric energy is not economically convenient Mazzi & Pinson (2017)) as production and consumption levels must match during the operation of electric power systems. The growing importance of accurate forecasts of BM prices to participants is outlined in Ortner & Totschnig (2019), where forecast errors of variable renewable electricity will drive demand for BM participation. Historically, the focus on the DAM is intuitive, given that it is a cornerstone of the European electricity market. In addition, the datasets required for forecasting the DAM are widely available. The lack of analysis of the BM is likely the result of a combination of factors including not all jurisdictions having a BM, the rules governing it can differ from region to region and the identification and acquisition of the relevant datasets can be complicated and expensive (with no open access dataset). In recent years, given access to additional datasets and increasing GPU speeds, the application of Deep Learning (DL) models has become an attractive option.

Point clouds and high-resolution 3D data have become increasingly important in various fields, including surveying, construction, and virtual reality. However, simply having this data is not enough; to extract useful information, semantic labeling is crucial. In this context, we propose a method to transfer annotations from a labeled to an unlabeled point cloud using an octree structure. The structure also analyses changes between the point clouds. Our experiments confirm that our method effectively transfers annotations while addressing changes. The primary contribution of this project is the development of the method for automatic label transfer between two different point clouds that represent the same real-world object. The proposed method can be of great importance for data-driven deep learning algorithms as it can also allow circumventing stochastic transfer learning by deterministic label transfer between datasets depicting the same objects.

Time series analysis is relevant in various disciplines such as physics, biology, chemistry, and Time series analysis plays a pivotal role in extracting valuable finance. In this paper, we present a novel neural insights from sequential data, uncovering patterns, network architecture that integrates elements trends, and underlying structures that drive temporal dynamics from ResNet structures, while introducing the innovative (Zhang, 2003; Tang et al., 1991). The ubiquity incorporation of the Taylor series framework. of time series data across diverse domains, including finance, This approach demonstrates notable enhancements healthcare, and environmental science, underscores in test accuracy across many of the the critical need for accurate and efficient analytical methods baseline datasets investigated.

Sponge attacks aim to increase the energy consumption and computation time of neural networks deployed on hardware accelerators. Existing sponge attacks can be performed during inference via sponge examples or during training via Sponge Poisoning. Sponge examples leverage perturbations added to the model's input to increase energy and latency, while Sponge Poisoning alters the objective function of a model to induce inference-time energy/latency effects. In this work, we propose a novel sponge attack called SpongeNet. SpongeNet is the first sponge attack that is performed directly on the parameters of a pre-trained model. Our experiments show that SpongeNet can successfully increase the energy consumption of vision models with fewer samples required than Sponge Poisoning. Our experiments indicate that poisoning defenses are ineffective if not adjusted specifically for the defense against Sponge Poisoning (i.e., they decrease batch normalization bias values). Our work shows that SpongeNet is more effective on StarGAN than the state-of-the-art. Additionally, SpongeNet is stealthier than the previous Sponge Poisoning attack as it does not require significant changes in the victim model's weights. Our experiments indicate that the SpongeNet attack can be performed even when an attacker has access to only 1% of the entire dataset and reach up to 11% energy increase.

Optimal power flow (OPF) is used to perform generation redispatch in power system real-time operations. N-1 OPF can ensure safe grid operations under diverse contingency scenarios. For large and intricate power networks with numerous variables and constraints, achieving an optimal solution for real-time N-1 OPF necessitates substantial computational resources. To mitigate this challenge, machine learning (ML) is introduced as an additional tool for predicting congested or heavily loaded lines dynamically. In this paper, an advanced ML model known as the augmented hierarchical graph neural network (AHGNN) was proposed to predict critical congested lines and create N-1 reduced OPF (N-1 ROPF). The proposed AHGNN-enabled N-1 ROPF can result in a remarkable reduction in computing time while retaining the solution quality. Several variations of GNN-based ML models are also implemented as benchmark to demonstrate effectiveness of the proposed AHGNN approach. Case studies prove the proposed AHGNN and the associated N-1 ROPF are highly effective in reducing computation time while preserving solution quality, highlighting the promising potential of ML, particularly GNN in enhancing power system operations.

The power requirements posed by the fifth-generation and beyond cellular networks are an important constraint in network deployment and require energy-efficient solutions. In this work, we propose a novel user load transfer approach using airborne base stations (BS) mounted on drones for reliable and secure power redistribution across the micro-grid network comprising green small cell BSs. Depending on the user density and the availability of an aerial BS, the energy requirement of a cell with an energy deficit is accommodated by migrating the aerial BS from a high-energy to a low-energy cell. The proposed hybrid drone-based framework integrates long short-term memory with unique cost functions using an evolutionary neural network for drones and BSs and efficiently manages energy and load redistribution. The proposed algorithm reduces power outages at BSs and maintains consistent throughput stability, thereby demonstrating its capability to boost the reliability and robustness of wireless communication systems.

The news: In the biggest mass-market AI launch yet, Google is rolling out Gemini, its family of large language models, across almost all its products, from Android to the iOS Google app to Gmail to Docs and more. A new subscription plan will also give users access to Gemini Ultra, the most powerful version of the model, for the first time. Why it matters: ChatGPT, released by Microsoft-backed OpenAI just 14 months ago, changed people's expectations of what computers could do. Google has been racing to catch up ever since and unveiled its Gemini family of models in December. By baking Gemini into its ubiquitous tools, it will be hoping to make up any lost ground, and even overtake its rival.

According to The Information, Apple has created two clamshell-style foldable iPhone prototypes, though they're all in the early stages of development. If Apple were to move forward with foldable iPhones, they likely wouldn't come to market until at least 2026. Companies have so far been unable to address the technical issues of foldables. The first Samsung Galaxy Fold notoriously had a gap between the two halves of the screen, which debris fell into. Second, Apple's designers have found it tough to create a foldable iPhone compelling enough to exist beyond the iPhone's current form factor.