Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches address only a narrowly defined set of tasks, often circumscribed within a particular domain. To bridge this gap, we introduce Tx-LLM, a generalist large language model (LLM) fine-tuned from PaLM-2 which encodes knowledge about diverse therapeutic modalities. Tx-LLM is trained using a collection of 709 datasets that target 66 tasks spanning various stages of the drug discovery pipeline. Using a single set of weights, Tx-LLM simultaneously processes a wide variety of chemical or biological entities(small molecules, proteins, nucleic acids, cell lines, diseases) interleaved with free-text, allowing it to predict a broad range of associated properties, achieving competitive with state-of-the-art (SOTA) performance on 43 out of 66 tasks and exceeding SOTA on 22. Among these, Tx-LLM is particularly powerful and exceeds best-in-class performance on average for tasks combining molecular SMILES representations with text such as cell line names or disease names, likely due to context learned during pretraining. We observe evidence of positive transfer between tasks with diverse drug types (e.g.,tasks involving small molecules and tasks involving proteins), and we study the impact of model size, domain finetuning, and prompting strategies on performance. We believe Tx-LLM represents an important step towards LLMs encoding biochemical knowledge and could have a future role as an end-to-end tool across the drug discovery development pipeline.

Amid growing concerns over AI's societal risks--ranging from civilizational collapse to misinformation and systemic bias--this study explores the perceptions of AI experts and the general US registered voters on the likelihood and impact of 18 specific AI risks, alongside their policy preferences for managing these risks. While both groups favor international oversight over national or corporate governance, our survey reveals a discrepancy: voters perceive AI risks as both more likely and more impactful than experts, and also advocate for slower AI development. Specifically, our findings indicate that policy interventions may best assuage collective concerns if they attempt to more carefully balance mitigation efforts across all classes of societal-scale risks, effectively nullifying the near-vs-long-term debate over AI risks. More broadly, our results will serve not only to enable more substantive policy discussions for preventing and mitigating AI risks, but also to underscore the challenge of consensus building for effective policy implementation.

Cognitive systems generally require a human to translate a problem definition into some specification that the cognitive system can use to attempt to solve the problem or perform the task. In this paper, we illustrate that large language models (LLMs) can be utilized to map a problem class, defined in natural language, into a semi-formal specification that can then be utilized by an existing reasoning and learning system to solve instances from the problem class. We present the design of LLM-enabled cognitive task analyst agent(s). Implemented with LLM agents, this system produces a definition of problem spaces for tasks specified in natural language. LLM prompts are derived from the definition of problem spaces in the AI literature and general problem-solving strategies (Polya's How to Solve It). A cognitive system can then use the problem-space specification, applying domain-general problem solving strategies ("weak methods" such as search), to solve multiple instances of problems from the problem class. This result, while preliminary, suggests the potential for speeding cognitive systems research via disintermediation of problem formulation while also retaining core capabilities of cognitive systems, such as robust inference and online learning.

Phishing, whether through email, SMS, or malicious websites, poses a major threat to organizations by using social engineering to trick users into revealing sensitive information. It not only compromises company's data security but also incurs significant financial losses. In this paper, we investigate whether the remarkable performance of Large Language Models (LLMs) can be leveraged for particular task like text classification, particularly detecting malicious content and compare its results with state-of-the-art Deberta V3 (DeBERTa using ELECTRA-Style Pre-Training with Gradient-Disentangled Embedding Sharing) model. We systematically assess the potential and limitations of both approaches using comprehensive public datasets comprising diverse data sources such as email, HTML, URL, SMS, and synthetic data generation. Additionally, we demonstrate how LLMs can generate convincing phishing emails, making it harder to spot scams and evaluate the performance of both models in this context. Our study delves further into the challenges encountered by DeBERTa V3 during its training phases, fine-tuning methodology and transfer learning processes. Similarly, we examine the challenges associated with LLMs and assess their respective performance. Among our experimental approaches, the transformer-based DeBERTa method emerged as the most effective, achieving a test dataset (HuggingFace phishing dataset) recall (sensitivity) of 95.17% closely followed by GPT-4 providing a recall of 91.04%. We performed additional experiments with other datasets on the trained DeBERTa V3 model and LLMs like GPT 4 and Gemini 1.5. Based on our findings, we provide valuable insights into the effectiveness and robustness of these advanced language models, offering a detailed comparative analysis that can inform future research efforts in strengthening cybersecurity measures for detecting and mitigating phishing threats.

Multimodal Large Language Models (MLLMs) have demonstrated proficiency in processing di-verse modalities, including text, images, and audio. These models leverage extensive pre-existing knowledge, enabling them to address complex problems with minimal to no specific training examples, as evidenced in few-shot and zero-shot in-context learning scenarios. This paper investigates the use of MLLMs' visual capabilities to 'eyeball' solutions for the Traveling Salesman Problem (TSP) by analyzing images of point distributions on a two-dimensional plane. Our experiments aimed to validate the hypothesis that MLLMs can effectively 'eyeball' viable TSP routes. The results from zero-shot, few-shot, self-ensemble, and self-refine zero-shot evaluations show promising outcomes. We anticipate that these findings will inspire further exploration into MLLMs' visual reasoning abilities to tackle other combinatorial problems.

In the contemporary world of AI and data-driven applications, supervised machines often derive their understanding, which they mimic and reproduce, through annotations--typically conveyed in the form of words or labels. However, such annotations are often divorced from or lack contextual information, and as such hold the potential to inadvertently introduce biases when subsequently used for training. This paper introduces SituAnnotate, a novel ontology explicitly crafted for 'situated grounding,' aiming to anchor the ground truth data employed in training AI systems within the contextual and culturally-bound situations from which those ground truths emerge. SituAnnotate offers an ontology-based approach to structured and context-aware data annotation, addressing potential bias issues associated with isolated annotations. Its representational power encompasses situational context, including annotator details, timing, location, remuneration schemes, annotation roles, and more, ensuring semantic richness. Aligned with the foundational Dolce Ultralight ontology, it provides a robust and consistent framework for knowledge representation. As a method to create, query, and compare label-based datasets, SituAnnotate empowers downstream AI systems to undergo training with explicit consideration of context and cultural bias, laying the groundwork for enhanced system interpretability and adaptability, and enabling AI models to align with a multitude of cultural contexts and viewpoints.

Outlier detection is an essential capability in safety-critical applications of supervised visual recognition. Most of the existing methods deliver best results by encouraging standard closed-set models to produce low-confidence predictions in negative training data. However, that approach conflates prediction uncertainty with recognition of the negative class. We therefore reconsider direct prediction of K+1 logits that correspond to K groundtruth classes and one outlier class. This setup allows us to formulate a novel anomaly score as an ensemble of in-distribution uncertainty and the posterior of the outlier class which we term negative objectness. Now outliers can be independently detected due to i) high prediction uncertainty or ii) similarity with negative data. We embed our method into a dense prediction architecture with mask-level recognition over K+2 classes. The training procedure encourages the novel K+2-th class to learn negative objectness at pasted negative instances. Our models outperform the current state-of-the art on standard benchmarks for image-wide and pixel-level outlier detection with and without training on real negative data.

Time series data has been demonstrated to be crucial in various research fields. The management of large quantities of time series data presents challenges in terms of deep learning tasks, particularly for training a deep neural network. Recently, a technique named \textit{Dataset Condensation} has emerged as a solution to this problem. This technique generates a smaller synthetic dataset that has comparable performance to the full real dataset in downstream tasks such as classification. However, previous methods are primarily designed for image and graph datasets, and directly adapting them to the time series dataset leads to suboptimal performance due to their inability to effectively leverage the rich information inherent in time series data, particularly in the frequency domain. In this paper, we propose a novel framework named Dataset \textit{\textbf{Cond}}ensation for \textit{\textbf{T}}ime \textit{\textbf{S}}eries \textit{\textbf{C}}lassification via Dual Domain Matching (\textbf{CondTSC}) which focuses on the time series classification dataset condensation task. Different from previous methods, our proposed framework aims to generate a condensed dataset that matches the surrogate objectives in both the time and frequency domains. Specifically, CondTSC incorporates multi-view data augmentation, dual domain training, and dual surrogate objectives to enhance the dataset condensation process in the time and frequency domains. Through extensive experiments, we demonstrate the effectiveness of our proposed framework, which outperforms other baselines and learns a condensed synthetic dataset that exhibits desirable characteristics such as conforming to the distribution of the original data.

A good translation should be faithful to the source and should respect the norms of the target language. We address a theoretical puzzle about the relationship between these objectives. On one hand, intuition and some prior work suggest that accuracy and fluency should trade off against each other, and that capturing every detail of the source can only be achieved at the cost of fluency. On the other hand, quality assessment researchers often suggest that accuracy and fluency are highly correlated and difficult for human raters to distinguish (Callison-Burch et al., 2007). We show that the tension between these views is an instance of Simpson's paradox, and that accuracy and fluency are positively correlated at the level of the corpus but trade off at the level of individual source segments. We further suggest that the relationship between accuracy and fluency is best evaluated at the segment (or sentence) level, and that the trade off between these dimensions has implications both for assessing translation quality and developing improved MT systems.

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zeroshot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets. Our pretrained model is available online.