Many applications of machine learning require a model to make accurate predictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to this challenge is to pre-train a model on related tasks where data is abundant, and then fine-tune it on a downstream task of interest. While pre-training has been effective in many language and vision domains, it remains an open question how to effectively use pre-training on graph datasets. In this paper, we develop a new strategy and self-supervised methods for pre-training Graph Neural Networks (GNNs). The key to the success of our strategy is to pre-train an expressive GNN at the level of individual nodes as well as entire graphs so that the GNN can learn useful local and global representations simultaneously. We systematically study pre-training on multiple graph classification datasets. We find that naïve strategies, which pre-train GNNs at the level of either entire graphs or individual nodes, give limited improvement and can even lead to negative transfer on many downstream tasks. In contrast, our strategy avoids negative transfer and improves generalization significantly across downstream tasks, leading up to 9.4% absolute improvements in ROC-AUC over non-pre-trained models and achieving state-of-the-art performance for molecular property prediction and protein function prediction.However, pre-training on graph datasets remains a hard challenge. Several key studies (

Molecular machine learning has been maturing rapidly over the last few years.Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the lack of a standard benchmark to compare the efficacy of proposed methods; most new algorithms are benchmarked on different datasets making it challenging to gauge the quality of proposed methods. This work introduces MoleculeNet, a large scale benchmark for molecular machine learning. MoleculeNet curates multiple public datasets, establishes metrics for evaluation, and offers high quality open-source implementations of multiple previously proposed molecular featurization and learning algorithms (released as part of the DeepChem

The recent increase in public and academic interest in preserving biodiversity has led to the growth of the field of conservation technology. This field involves designing and constructing tools that utilize technology to aid in the conservation of wildlife. In this article, we will use case studies to demonstrate the importance of designing conservation tools with human-wildlife interaction in mind and provide a framework for creating successful tools. These case studies include a range of complexities, from simple cat collars to machine learning and game theory methodologies. Our goal is to introduce and inform current and future researchers in the field of conservation technology and provide references for educating the next generation of conservation technologists. Conservation technology not only has the potential to benefit biodiversity but also has broader impacts on fields such as sustainability and environmental protection. By using innovative technologies to address conservation challenges, we can find more effective and efficient solutions to protect and preserve our planet's resources.

As various city agencies and mobility operators navigate toward innovative mobility solutions, there is a need for strategic flexibility in well-timed investment decisions in the design and timing of mobility service regions, i.e. cast as "real options" (RO). This problem becomes increasingly challenging with multiple interacting RO in such investments. We propose a scalable machine learning based RO framework for multi-period sequential service region design & timing problem for mobility-on-demand services, framed as a Markov decision process with non-stationary stochastic variables. A value function approximation policy from literature uses multi-option least squares Monte Carlo simulation to get a policy value for a set of interdependent investment decisions as deferral options (CR policy). The goal is to determine the optimal selection and timing of a set of zones to include in a service region. However, prior work required explicit enumeration of all possible sequences of investments. To address the combinatorial complexity of such enumeration, we propose a new variant "deep" RO policy using an efficient recurrent neural network (RNN) based ML method (CR-RNN policy) to sample sequences to forego the need for enumeration, making network design & timing policy tractable for large scale implementation. Experiments on multiple service region scenarios in New York City (NYC) shows the proposed policy substantially reduces the overall computational cost (time reduction for RO evaluation of > 90% of total investment sequences is achieved), with zero to near-zero gap compared to the benchmark. A case study of sequential service region design for expansion of MoD services in Brooklyn, NYC show that using the CR-RNN policy to determine optimal RO investment strategy yields a similar performance (0.5% within CR policy value) with significantly reduced computation time (about 5.4 times faster).

Stress has a great effect on people's lives that can not be understated. While it can be good, since it helps humans to adapt to new and different situations, it can also be harmful when not dealt with properly, leading to chronic stress. The objective of this paper is developing a stress monitoring solution, that can be used in real life, while being able to tackle this challenge in a positive way. The SMILE data set was provided to team Anxolotl, and all it was needed was to develop a robust model. We developed a supervised learning model for classification in Python, presenting the final result of 64.1% in accuracy and a f1-score of 54.96%. The resulting solution stood the robustness test, presenting low variation between runs, which was a major point for it's possible integration in the Anxolotl app in the future.

The combination of conduct, emotion, motivation, and thinking is referred to as personality. To shortlist candidates more effectively, many organizations rely on personality predictions. The firm can hire or pick the best candidate for the desired job description by grouping applicants based on the necessary personality preferences. A model is created to identify applicants' personality types so that employers may find qualified candidates by examining a person's facial expression, speech intonation, and resume. Additionally, the paper emphasises detecting the changes in employee behaviour. Employee attitudes and behaviour towards each set of questions are being examined and analysed. Here, the K-Modes clustering method is used to predict employee well-being, including job pressure, the working environment, and relationships with peers, utilizing the OCEAN Model and the CNN algorithm in the AVI-AI administrative system. Findings imply that AVIs can be used for efficient candidate screening with an AI decision agent. The study of the specific field is beyond the current explorations and needed to be expanded with deeper models and new configurations that can patch extremely complex operations.

The Elo algorithm, due to its simplicity, is widely used for rating in sports competitions as well as in other applications where the rating/ranking is a useful tool for predicting future results. However, despite its widespread use, a detailed understanding of the convergence properties of the Elo algorithm is still lacking. Aiming to fill this gap, this paper presents a comprehensive (stochastic) analysis of the Elo algorithm, considering round-robin (one-on-one) competitions. Specifically, analytical expressions are derived characterizing the behavior/evolution of the skills and of important performance metrics. Then, taking into account the relationship between the behavior of the algorithm and the step-size value, which is a hyperparameter that can be controlled, some design guidelines as well as discussions about the performance of the algorithm are provided. To illustrate the applicability of the theoretical findings, experimental results are shown, corroborating the very good match between analytical predictions and those obtained from the algorithm using real-world data (from the Italian SuperLega, Volleyball League).

Correct scoring of a driver's risk is of great significance to auto insurance companies. While the current tools used in this field have been proven in practice to be quite efficient and beneficial, we argue that there is still a lot of room for development and improvement in the auto insurance risk estimation process. To this end, we develop a framework based on a combination of a neural network together with a dimensionality reduction technique t-SNE (t-distributed stochastic neighbour embedding). This enables us to visually represent the complex structure of the risk as a two-dimensional surface, while still preserving the properties of the local region in the features space. The obtained results, which are based on real insurance data, reveal a clear contrast between the high and low risk policy holders, and indeed improve upon the actual risk estimation performed by the insurer. Due to the visual accessibility of the portfolio in this approach, we argue that this framework could be advantageous to the auto insurer, both as a main risk prediction tool and as an additional validation stage in other approaches.

As language models (LMs) scale, they develop many novel behaviors, good and bad, exacerbating the need to evaluate how they behave. Prior work creates evaluations with crowdwork (which is time-consuming and expensive) or existing data sources (which are not always available). Here, we automatically generate evaluations with LMs. We explore approaches with varying amounts of human effort, from instructing LMs to write yes/no questions to making complex Winogender schemas with multiple stages of LM-based generation and filtering. Crowdworkers rate the examples as highly relevant and agree with 90-100% of labels, sometimes more so than corresponding human-written datasets. We generate 154 datasets and discover new cases of inverse scaling where LMs get worse with size. Larger LMs repeat back a dialog user's preferred answer ("sycophancy") and express greater desire to pursue concerning goals like resource acquisition and goal preservation. We also find some of the first examples of inverse scaling in RL from Human Feedback (RLHF), where more RLHF makes LMs worse. For example, RLHF makes LMs express stronger political views (on gun rights and immigration) and a greater desire to avoid shut down. Overall, LM-written evaluations are high-quality and let us quickly discover many novel LM behaviors.

We present Azimuth, an open-source and easy-to-use tool to perform error analysis for text classification. Compared to other stages of the ML development cycle, such as model training and hyper-parameter tuning, the process and tooling for the error analysis stage are less mature. However, this stage is critical for the development of reliable and trustworthy AI systems. To make error analysis more systematic, we propose an approach comprising dataset analysis and model quality assessment, which Azimuth facilitates. We aim to help AI practitioners discover and address areas where the model does not generalize by leveraging and integrating a range of ML techniques, such as saliency maps, similarity, uncertainty, and behavioral analyses, all in one tool. Our code and documentation are available at github.com/servicenow/azimuth.