We propose an instruction-based process for trustworthy data curation in materials science (MatSci-Instruct), which we then apply to finetune a LLaMa-based language model targeted for materials science (HoneyBee). MatSci-Instruct helps alleviate the scarcity of relevant, high-quality materials science textual data available in the open literature, and HoneyBee is the first billion-parameter language model specialized to materials science. In MatSci-Instruct we improve the trustworthiness of generated data by prompting multiple commercially available large language models for generation with an Instructor module (e.g. Chat-GPT) and verification from an independent Verifier module (e.g. Claude). Using MatSci-Instruct, we construct a dataset of multiple tasks and measure the quality of our dataset along multiple dimensions, including accuracy against known facts, relevance to materials science, as well as completeness and reasonableness of the data. Moreover, we iteratively generate more targeted instructions and instruction-data in a finetuning-evaluation-feedback loop leading to progressively better performance for our finetuned HoneyBee models. Our evaluation on the MatSci-NLP benchmark shows HoneyBee's outperformance of existing language models on materials science tasks and iterative improvement in successive stages of instruction-data refinement. We study the quality of HoneyBee's language modeling through automatic evaluation and analyze case studies to further understand the model's capabilities and limitations. Our code and relevant datasets are publicly available at \url{//github.com/BangLab-UdeM-Mila/NLP4MatSci-HoneyBee}.
Despite the recent success of Neural Radiance Field (NeRF), it is still challenging to render large-scale driving scenes with long trajectories, particularly when the rendering quality and efficiency are in high demand. Existing methods for such scenes usually involve with spatial warping, geometric supervision from zero-shot normal or depth estimation, or scene division strategies, where the synthesized views are often blurry or fail to meet the requirement of efficient rendering. To address the above challenges, this paper presents a novel framework that learns a density space from the scenes to guide the construction of a point-based renderer, dubbed as DGNR (Density-Guided Neural Rendering). In DGNR, geometric priors are no longer needed, which can be intrinsically learned from the density space through volumetric rendering. Specifically, we make use of a differentiable renderer to synthesize images from the neural density features obtained from the learned density space. A density-based fusion module and geometric regularization are proposed to optimize the density space. By conducting experiments on a widely used autonomous driving dataset, we have validated the effectiveness of DGNR in synthesizing photorealistic driving scenes and achieving real-time capable rendering.
Simulators can provide valuable insights for researchers and practitioners who wish to improve recommender systems, because they allow one to easily tweak the experimental setup in which recommender systems operate, and as a result lower the cost of identifying general trends and uncovering novel findings about the candidate methods. A key requirement to enable this accelerated improvement cycle is that the simulator is able to span the various sources of complexity that can be found in the real recommendation environment that it simulates. With the emergence of interactive and data-driven methods - e.g., reinforcement learning or online and counterfactual learning-to-rank - that aim to achieve user-related goals beyond the traditional accuracy-centric objectives, adequate simulators are needed. In particular, such simulators must model the various mechanisms that render the recommendation environment dynamic and interactive, e.g., the effect of recommendations on the user or the effect of biased data on subsequent iterations of the recommender system. We therefore propose SARDINE, a flexible and interpretable recommendation simulator that can help accelerate research in interactive and data-driven recommender systems. We demonstrate its usefulness by studying existing methods within nine diverse environments derived from SARDINE, and even uncover novel insights about them.
Current methods based on Neural Radiance Fields (NeRF) significantly lack the capacity to quantify uncertainty in their predictions, particularly on the unseen space including the occluded and outside scene content. This limitation hinders their extensive applications in robotics, where the reliability of model predictions has to be considered for tasks such as robotic exploration and planning in unknown environments. To address this, we propose a novel approach to estimate a 3D Uncertainty Field based on the learned incomplete scene geometry, which explicitly identifies these unseen regions. By considering the accumulated transmittance along each camera ray, our Uncertainty Field infers 2D pixel-wise uncertainty, exhibiting high values for rays directly casting towards occluded or outside the scene content. To quantify the uncertainty on the learned surface, we model a stochastic radiance field. Our experiments demonstrate that our approach is the only one that can explicitly reason about high uncertainty both on 3D unseen regions and its involved 2D rendered pixels, compared with recent methods. Furthermore, we illustrate that our designed uncertainty field is ideally suited for real-world robotics tasks, such as next-best-view selection.
With the rapid growth of research in trojaning deep neural models of source code, we observe that there is a need of developing a benchmark trojaned models for testing various trojan detection and unlearning techniques. In this work, we aim to provide the scientific community with a diverse pool of trojaned code models using which they can experiment with such techniques. We present \textsc{TrojanedCM}, a publicly available repository of clean and poisoned models of source code. We provide poisoned models for two code classification tasks (defect detection and clone detection) and a code generation task (text-to-code generation). We finetuned popular pretrained code models such as CodeBERT, PLBART, CodeT5, CodeT5+, on poisoned datasets that we generated from benchmark datasets (Devign, BigCloneBench, CONCODE) for the above mentioned tasks. The repository also provides full access to the architecture and weights of the models, allowing practitioners to investigate different white-box analysis techniques. In addition to the poisoned models, we also provide a poisoning framework using which practitioners can deploy various poisoning strategies for the different tasks and models of source code. All the material are accessible via this link: //github.com/UH-SERG/TrojanedCM.
In the last ten years, various automated machine learning (AutoM ) systems have been proposed to build end-to-end machine learning (ML) pipelines with minimal human interaction. Even though such automatically synthesized ML pipelines are able to achieve a competitive performance, recent studies have shown that users do not trust models constructed by AutoML due to missing transparency of AutoML systems and missing explanations for the constructed ML pipelines. In a requirements analysis study with 36 domain experts, data scientists, and AutoML researchers from different professions with vastly different expertise in ML, we collect detailed informational needs for AutoML. We propose XAutoML, an interactive visual analytics tool for explaining arbitrary AutoML optimization procedures and ML pipelines constructed by AutoML. XAutoML combines interactive visualizations with established techniques from explainable artificial intelligence (XAI) to make the complete AutoML procedure transparent and explainable. By integrating XAutoML with JupyterLab, experienced users can extend the visual analytics with ad-hoc visualizations based on information extracted from XAutoML. We validate our approach in a user study with the same diverse user group from the requirements analysis. All participants were able to extract useful information from XAutoML, leading to a significantly increased understanding of ML pipelines produced by AutoML and the AutoML optimization itself.
Nowadays, the research on Large Vision-Language Models (LVLMs) has been significantly promoted thanks to the success of Large Language Models (LLM). Nevertheless, these Vision-Language Models (VLMs) are suffering from the drawback of hallucination -- due to insufficient understanding of vision and language modalities, VLMs may generate incorrect perception information when doing downstream applications, for example, captioning a non-existent entity. To address the hallucination phenomenon, on the one hand, we introduce a Contrastive Instruction Evaluation Method (CIEM), which is an automatic pipeline that leverages an annotated image-text dataset coupled with an LLM to generate factual/contrastive question-answer pairs for the evaluation of the hallucination of VLMs. On the other hand, based on CIEM, we further propose a new instruction tuning method called CIT (the abbreviation of Contrastive Instruction Tuning) to alleviate the hallucination of VLMs by automatically producing high-quality factual/contrastive question-answer pairs and corresponding justifications for model tuning. Through extensive experiments on CIEM and CIT, we pinpoint the hallucination issues commonly present in existing VLMs, the disability of the current instruction-tuning dataset to handle the hallucination phenomenon and the superiority of CIT-tuned VLMs over both CIEM and public datasets.
Automation can transform productivity in research activities that use liquid handling, such as organic synthesis, but it has made less impact in materials laboratories, which require sample preparation steps and a range of solid-state characterization techniques. For example, powder X-ray diffraction (PXRD) is a key method in materials and pharmaceutical chemistry, but its end-to-end automation is challenging because it involves solid powder handling and sample processing. Here we present a fully autonomous solid-state workflow for PXRD experiments that can match or even surpass manual data quality. The workflow involves 12 steps performed by a team of three multipurpose robots, illustrating the power of flexible, modular automation to integrate complex, multitask laboratories.
In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.
As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.
We study the problem of learning to reason in large scale knowledge graphs (KGs). More specifically, we describe a novel reinforcement learning framework for learning multi-hop relational paths: we use a policy-based agent with continuous states based on knowledge graph embeddings, which reasons in a KG vector space by sampling the most promising relation to extend its path. In contrast to prior work, our approach includes a reward function that takes the accuracy, diversity, and efficiency into consideration. Experimentally, we show that our proposed method outperforms a path-ranking based algorithm and knowledge graph embedding methods on Freebase and Never-Ending Language Learning datasets.