Large language models are playing an increasingly significant role in molecular research, yet existing models often generate erroneous information, posing challenges to accurate molecular comprehension. Traditional evaluation metrics for generated content fail to assess a model's accuracy in molecular understanding. To rectify the absence of factual evaluation, we present MoleculeQA, a novel question answering (QA) dataset which possesses 62K QA pairs over 23K molecules. Each QA pair, composed of a manual question, a positive option and three negative options, has consistent semantics with a molecular description from authoritative molecular corpus. MoleculeQA is not only the first benchmark for molecular factual bias evaluation but also the largest QA dataset for molecular research. A comprehensive evaluation on MoleculeQA for existing molecular LLMs exposes their deficiencies in specific areas and pinpoints several particularly crucial factors for molecular understanding.
Fast and accurate depth sensing has long been a significant research challenge. Event camera, as a device that quickly responds to intensity changes, provides a new solution for structured light (SL) systems. In this paper, we introduce Gray code into event-based SL systems for the first time. Our setup includes an event camera and Digital Light Processing (DLP) projector, enabling depth estimation through high-speed projection and decoding of Gray code patterns. By employing spatio-temporal encoding for point matching, our method is immune to timestamp noise, realizing high-speed depth estimation without loss of accuracy. The binary nature of events and Gray code minimizes data redundancy, enabling us to fully utilize sensor bandwidth at 100%. Experimental results show that our approach achieves accuracy comparable to state-of-the-art scanning methods while surpassing them in data acquisition speed (up to 41 times improvement) without sacrificing accuracy. Our proposed approach offers a highly promising solution for ultra-fast, real-time, and high-precision dense depth estimation. Code and dataset will be publicly available.
Given the enormous number of users and items, industrial cascade recommendation systems (RS) are continuously expanded in size and complexity to deliver relevant items, such as news, services, and commodities, to the appropriate users. In a real-world scenario with hundreds of thousands requests per second, significant computation is required to infer personalized results for each request, resulting in a massive energy consumption and carbon emission that raises concern. This paper proposes GreenFlow, a practical computation allocation framework for RS, that considers both accuracy and carbon emission during inference. For each stage (e.g., recall, pre-ranking, ranking, etc.) of a cascade RS, when a user triggers a request, we define two actions that determine the computation: (1) the trained instances of models with different computational complexity; and (2) the number of items to be inferred in the stage. We refer to the combinations of actions in all stages as action chains. A reward score is estimated for each action chain, followed by dynamic primal-dual optimization considering both the reward and computation budget. Extensive experiments verify the effectiveness of the framework, reducing computation consumption by 41% in an industrial mobile application while maintaining commercial revenue. Moreover, the proposed framework saves approximately 5000kWh of electricity and reduces 3 tons of carbon emissions per day.
The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our novel contribution, InstructMol, a multi-modal LLM, effectively aligns molecular structures with natural language via an instruction-tuning approach, utilizing a two-stage training strategy that adeptly combines limited domain-specific data with molecular and textual information. InstructMol showcases substantial performance improvements in drug discovery-related molecular tasks, surpassing leading LLMs and significantly reducing the gap with specialized models, thereby establishing a robust foundation for a versatile and dependable drug discovery assistant.
In text documents such as news articles, the content and key events usually revolve around a subset of all the entities mentioned in a document. These entities, often deemed as salient entities, provide useful cues of the aboutness of a document to a reader. Identifying the salience of entities was found helpful in several downstream applications such as search, ranking, and entity-centric summarization, among others. Prior work on salient entity detection mainly focused on machine learning models that require heavy feature engineering. We show that fine-tuning medium-sized language models with a cross-encoder style architecture yields substantial performance gains over feature engineering approaches. To this end, we conduct a comprehensive benchmarking of four publicly available datasets using models representative of the medium-sized pre-trained language model family. Additionally, we show that zero-shot prompting of instruction-tuned language models yields inferior results, indicating the task's uniqueness and complexity.
The goal of sequential recommendation (SR) is to predict a user's potential interested items based on her/his historical interaction sequences. Most existing sequential recommenders are developed based on ID features, which, despite their widespread use, often underperform with sparse IDs and struggle with the cold-start problem. Besides, inconsistent ID mappings hinder the model's transferability, isolating similar recommendation domains that could have been co-optimized. This paper aims to address these issues by exploring the potential of multi-modal information in learning robust and generalizable sequence representations. We propose MISSRec, a multi-modal pre-training and transfer learning framework for SR. On the user side, we design a Transformer-based encoder-decoder model, where the contextual encoder learns to capture the sequence-level multi-modal synergy while a novel interest-aware decoder is developed to grasp item-modality-interest relations for better sequence representation. On the candidate item side, we adopt a dynamic fusion module to produce user-adaptive item representation, providing more precise matching between users and items. We pre-train the model with contrastive learning objectives and fine-tune it in an efficient manner. Extensive experiments demonstrate the effectiveness and flexibility of MISSRec, promising an practical solution for real-world recommendation scenarios.
Entity Linking (EL) is a fundamental task for Information Extraction and Knowledge Graphs. The general form of EL (i.e., end-to-end EL) aims to first find mentions in the given input document and then link the mentions to corresponding entities in a specific knowledge base. Recently, the paradigm of retriever-reader promotes the progress of end-to-end EL, benefiting from the advantages of dense entity retrieval and machine reading comprehension. However, the existing study only trains the retriever and the reader separately in a pipeline manner, which ignores the benefit that the interaction between the retriever and the reader can bring to the task. To advance the retriever-reader paradigm to perform more perfectly on end-to-end EL, we propose BEER$^2$, a Bidirectional End-to-End training framework for Retriever and Reader. Through our designed bidirectional end-to-end training, BEER$^2$ guides the retriever and the reader to learn from each other, make progress together, and ultimately improve EL performance. Extensive experiments on benchmarks of multiple domains demonstrate the effectiveness of our proposed BEER$^2$.
Hashing is very popular for remote sensing image search. This article proposes a multiview hashing with learnable parameters to retrieve the queried images for a large-scale remote sensing dataset. Existing methods always neglect that real-world remote sensing data lies on a low-dimensional manifold embedded in high-dimensional ambient space. Unlike previous methods, this article proposes to learn the consensus compact codes in a view-specific low-dimensional subspace. Furthermore, we have added a hyperparameter learnable module to avoid complex parameter tuning. In order to prove the effectiveness of our method, we carried out experiments on three widely used remote sensing data sets and compared them with seven state-of-the-art methods. Extensive experiments show that the proposed method can achieve competitive results compared to the other method.
Technology companies building consumer-facing platforms may have access to massive-scale user population. In recent years, promotion with quantifiable incentive has become a popular approach for increasing active users on such platforms. On one hand, increased user activities can introduce network effect, bring in advertisement audience, and produce other benefits. On the other hand, massive-scale promotion causes massive cost. Therefore making promotion campaigns efficient in terms of return-on-investment (ROI) is of great interest to many companies. This paper proposes a practical two-stage framework that can optimize the ROI of various massive-scale promotion campaigns. In the first stage, users' personal promotion-response curves are modeled by machine learning techniques. In the second stage, business objectives and resource constraints are formulated into an optimization problem, the decision variables of which are how much incentive to give to each user. In order to do effective optimization in the second stage, counterfactual prediction and noise-reduction are essential for the first stage. We leverage existing counterfactual prediction techniques to correct treatment bias in data. We also introduce a novel deep neural network (DNN) architecture, the deep-isotonic-promotion-network (DIPN), to reduce noise in the promotion response curves. The DIPN architecture incorporates our prior knowledge of response curve shape, by enforcing isotonicity and smoothness. It out-performed regular DNN and other state-of-the-art shape-constrained models in our experiments.