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We study semantic models of probabilistic programming languages over graphs, and establish a connection to graphons from graph theory and combinatorics. We show that every well-behaved equational theory for our graph probabilistic programming language corresponds to a graphon, and conversely, every graphon arises in this way. We provide three constructions for showing that every graphon arises from an equational theory. The first is an abstract construction, using Markov categories and monoidal indeterminates. The second and third are more concrete. The second is in terms of traditional measure theoretic probability, which covers 'black-and-white' graphons. The third is in terms of probability monads on the nominal sets of Gabbay and Pitts. Specifically, we use a variation of nominal sets induced by the theory of graphs, which covers Erd\H{o}s-R\'enyi graphons. In this way, we build new models of graph probabilistic programming from graphons.

With the rise of large language models (LLMs) and concerns about potential misuse, watermarks for generative LLMs have recently attracted much attention. An important aspect of such watermarks is the trade-off between their identifiability and their impact on the quality of the generated text. This paper introduces a systematic approach to this trade-off in terms of a multi-objective optimization problem. For a large class of robust, efficient watermarks, the associated Pareto optimal solutions are identified and shown to outperform the currently default watermark.

In recent years, the Adaptive Antoulas-Anderson AAA algorithm has established itself as the method of choice for solving rational approximation problems. Data-driven Model Order Reduction (MOR) of large-scale Linear Time-Invariant (LTI) systems represents one of the many applications in which this algorithm has proven to be successful since it typically generates reduced-order models (ROMs) efficiently and in an automated way. Despite its effectiveness and numerical reliability, the classical AAA algorithm is not guaranteed to return a ROM that retains the same structural features of the underlying dynamical system, such as the stability of the dynamics. In this paper, we propose a novel algebraic characterization for the stability of ROMs with transfer function obeying the AAA barycentric structure. We use this characterization to formulate a set of convex constraints on the free coefficients of the AAA model that, whenever verified, guarantee by construction the asymptotic stability of the resulting ROM. We suggest how to embed such constraints within the AAA optimization routine, and we validate experimentally the effectiveness of the resulting algorithm, named stabAAA, over a set of relevant MOR applications.

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper, rather than pursuing state-of-the-art performance, we aim to evaluate capabilities of LLMs in a wide range of tasks across the chemistry domain. We identify three key chemistry-related capabilities including understanding, reasoning and explaining to explore in LLMs and establish a benchmark containing eight chemistry tasks. Our analysis draws on widely recognized datasets facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry. Five LLMs (GPT-4, GPT-3.5, Davinci-003, Llama and Galactica) are evaluated for each chemistry task in zero-shot and few-shot in-context learning settings with carefully selected demonstration examples and specially crafted prompts. Our investigation found that GPT-4 outperformed other models and LLMs exhibit different competitive levels in eight chemistry tasks. In addition to the key findings from the comprehensive benchmark analysis, our work provides insights into the limitation of current LLMs and the impact of in-context learning settings on LLMs' performance across various chemistry tasks. The code and datasets used in this study are available at //github.com/ChemFoundationModels/ChemLLMBench.

Multi-modal language models (LM) have recently shown promising performance in high-level reasoning tasks on videos. However, existing methods still fall short in tasks like causal or compositional spatiotemporal reasoning over actions, in which model predictions need to be grounded in fine-grained low-level details, such as object motions and object interactions. In this work, we propose training an LM end-to-end on low-level surrogate tasks, including object detection, re-identification, and tracking, to endow the model with the required low-level visual capabilities. We show that a two-stream video encoder with spatiotemporal attention is effective at capturing the required static and motion-based cues in the video. By leveraging the LM's ability to perform the low-level surrogate tasks, we can cast reasoning in videos as the three-step process of Look, Remember, Reason wherein visual information is extracted using low-level visual skills step-by-step and then integrated to arrive at a final answer. We demonstrate the effectiveness of our framework on diverse visual reasoning tasks from the ACRE, CATER, and Something-Else datasets. Our approach is trainable end-to-end and surpasses state-of-the-art task-specific methods across these tasks by a large margin.

Generative AI, such as image generation models and large language models, stands to provide tremendous value to end-user programmers in creative and knowledge workflows. Current research methods struggle to engage end-users in a realistic conversation that balances the actually existing capabilities of generative AI with the open-ended nature of user workflows and the many opportunities for the application of this technology. In this work-in-progress paper, we introduce participatory prompting, a method for eliciting opportunities for generative AI in end-user workflows. The participatory prompting method combines a contextual inquiry and a researcher-mediated interaction with a generative model, which helps study participants interact with a generative model without having to develop prompting strategies of their own. We discuss the ongoing development of a study whose aim will be to identify end-user programming opportunities for generative AI in data analysis workflows.

As advancements in artificial intelligence (AI) propel progress in the life sciences, they may also enable the weaponisation and misuse of biological agents. This article differentiates two classes of AI tools that could pose such biosecurity risks: large language models (LLMs) and biological design tools (BDTs). LLMs, such as GPT-4 and its successors, might provide dual-use information and thus remove some barriers encountered by historical biological weapons efforts. As LLMs are turned into multi-modal lab assistants and autonomous science tools, this will increase their ability to support non-experts in performing laboratory work. Thus, LLMs may in particular lower barriers to biological misuse. In contrast, BDTs will expand the capabilities of sophisticated actors. Concretely, BDTs may enable the creation of pandemic pathogens substantially worse than anything seen to date and could enable forms of more predictable and targeted biological weapons. In combination, the convergence of LLMs and BDTs could raise the ceiling of harm from biological agents and could make them broadly accessible. A range of interventions would help to manage risks. Independent pre-release evaluations could help understand the capabilities of models and the effectiveness of safeguards. Options for differentiated access to such tools should be carefully weighed with the benefits of openly releasing systems. Lastly, essential for mitigating risks will be universal and enhanced screening of gene synthesis products.

Incorporating prior knowledge into pre-trained language models has proven to be effective for knowledge-driven NLP tasks, such as entity typing and relation extraction. Current pre-training procedures usually inject external knowledge into models by using knowledge masking, knowledge fusion and knowledge replacement. However, factual information contained in the input sentences have not been fully mined, and the external knowledge for injecting have not been strictly checked. As a result, the context information cannot be fully exploited and extra noise will be introduced or the amount of knowledge injected is limited. To address these issues, we propose MLRIP, which modifies the knowledge masking strategies proposed by ERNIE-Baidu, and introduce a two-stage entity replacement strategy. Extensive experiments with comprehensive analyses illustrate the superiority of MLRIP over BERT-based models in military knowledge-driven NLP tasks.

We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We will share our code based on the Timm library and pre-trained models.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.