This paper systematically reviews recent advances in artificial intelligence (AI), with a particular focus on machine learning (ML), across the entire drug discovery pipeline. Due to the inherent complexity, escalating costs, prolonged timelines, and high failure rates of traditional drug discovery methods, there is a critical need to comprehensively understand how AI/ML can be effectively integrated throughout the full process. Currently available literature reviews often narrowly focus on specific phases or methodologies, neglecting the dependence between key stages such as target identification, hit screening, and lead optimization. To bridge this gap, our review provides a detailed and holistic analysis of AI/ML applications across these core phases, highlighting significant methodological advances and their impacts at each stage. We further illustrate the practical impact of these techniques through an in-depth case study focused on hyperuricemia, gout arthritis, and hyperuricemic nephropathy, highlighting real-world successes in molecular target identification and therapeutic candidate discovery. Additionally, we discuss significant challenges facing AI/ML in drug discovery and outline promising future research directions. Ultimately, this review serves as an essential orientation for researchers aiming to leverage AI/ML to overcome existing bottlenecks and accelerate drug discovery.

This work focuses on two subtasks related to hate speech detection and target identification in Devanagari-scripted languages, specifically Hindi, Marathi, Nepali, Bhojpuri, and Sanskrit. Subtask B involves detecting hate speech in online text, while Subtask C requires identifying the specific targets of hate speech, such as individuals, organizations, or communities. We propose the MultilingualRobertaClass model, a deep neural network built on the pretrained multilingual transformer model ia-multilingual-transliterated-roberta, optimized for classification tasks in multilingual and transliterated contexts. The model leverages contextualized embeddings to handle linguistic diversity, with a classifier head for binary classification. We received 88.40% accuracy in Subtask B and 66.11% accuracy in Subtask C, in the test set.

The rapid advancements in unmanned aerial vehicles (UAVs) have unlocked numerous applications, including environmental monitoring, disaster response, and agricultural surveying. Enhancing the collective behavior of multiple decentralized UAVs can significantly improve these applications through more efficient and coordinated operations. In this study, we explore a Recurrent PPO model for target localization in perceptually degraded environments like places without GNSS/GPS signals. We first developed a single-drone approach for target identification, followed by a decentralized two-drone model. Our approach can utilize two types of sensors on the UAVs, a detection sensor and a target signal sensor. The single-drone model achieved an accuracy of 93%, while the two-drone model achieved an accuracy of 86%, with the latter requiring fewer average steps to locate the target. This demonstrates the potential of our method in UAV swarms, offering efficient and effective localization of radiant targets in complex environmental conditions.

Social media abounds with multimodal sarcasm, and identifying sarcasm targets is particularly challenging due to the implicit incongruity not directly evident in the text and image modalities. Current methods for Multimodal Sarcasm Target Identification (MSTI) predominantly focus on superficial indicators in an end-to-end manner, overlooking the nuanced understanding of multimodal sarcasm conveyed through both the text and image. This paper proposes a versatile MSTI framework with a coarse-to-fine paradigm, by augmenting sarcasm explainability with reasoning and pre-training knowledge. Inspired by the powerful capacity of Large Multimodal Models (LMMs) on multimodal reasoning, we first engage LMMs to generate competing rationales for coarser-grained pre-training of a small language model on multimodal sarcasm detection. We then propose fine-tuning the model for finer-grained sarcasm target identification. Our framework is thus empowered to adeptly unveil the intricate targets within multimodal sarcasm and mitigate the negative impact posed by potential noise inherently in LMMs. Experimental results demonstrate that our model far outperforms state-of-the-art MSTI methods, and markedly exhibits explainability in deciphering sarcasm as well.

Understanding social interactions involving both verbal and non-verbal cues is essential for effectively interpreting social situations. However, most prior works on multimodal social cues focus predominantly on single-person behaviors or rely on holistic visual representations that are not aligned to utterances in multi-party environments. Consequently, they are limited in modeling the intricate dynamics of multi-party interactions. In this paper, we introduce three new challenging tasks to model the fine-grained dynamics between multiple people: speaking target identification, pronoun coreference resolution, and mentioned player prediction. We contribute extensive data annotations to curate these new challenges in social deduction game settings. Furthermore, we propose a novel multimodal baseline that leverages densely aligned language-visual representations by synchronizing visual features with their corresponding utterances. This facilitates concurrently capturing verbal and non-verbal cues pertinent to social reasoning. Experiments demonstrate the effectiveness of the proposed approach with densely aligned multimodal representations in modeling fine-grained social interactions. Project website: https://sangmin-git.github.io/projects/MMSI.

Unmanned Aerial Vehicles(UAVs) are attaining more and more maneuverability and sensory ability as a promising teleoperation platform for intelligent interaction with the environments. This work presents a novel 5-degree-of-freedom (DoF) unmanned aerial vehicle (UAV) cyber-physical system for aerial manipulation. This UAV's body is capable of exerting powerful propulsion force in the longitudinal direction, decoupling the translational dynamics and the rotational dynamics on the longitudinal plane. A high-level impedance control law is proposed to drive the vehicle for trajectory tracking and interaction with the environments. In addition, a vision-based real-time target identification and tracking method integrating a YOLO v3 real-time object detector with feature tracking, and morphological operations is proposed to be implemented onboard the vehicle with support of model compression techniques to eliminate latency caused by video wireless transmission and heavy computation burden on traditional teleoperation platforms.

Targeted training-set attacks inject malicious instances into the training set to cause a trained model to mislabel one or more specific test instances. This work proposes the task of target identification, which determines whether a specific test instance is the target of a training-set attack. Target identification can be combined with adversarial-instance identification to find (and remove) the attack instances, mitigating the attack with minimal impact on other predictions. Rather than focusing on a single attack method or data modality, we build on influence estimation, which quantifies each training instance's contribution to a model's prediction. We show that existing influence estimators' poor practical performance often derives from their over-reliance on training instances and iterations with large losses. Our renormalized influence estimators fix this weakness; they far outperform the original estimators at identifying influential groups of training examples in both adversarial and non-adversarial settings, even finding up to 100% of adversarial training instances with no clean-data false positives. Target identification then simplifies to detecting test instances with anomalous influence values. We demonstrate our method's effectiveness on backdoor and poisoning attacks across various data domains, including text, vision, and speech, as well as against a gray-box, adaptive attacker that specifically optimizes the adversarial instances to evade our method. Our source code is available at https://github.com/ZaydH/target_identification.

The rapid proliferation of omics data, which provides essential information regarding bio-molecular activity within cells, is transforming drug discovery. Equipped with this data, DeepLife, a next generation systems biology company, has established a platform for creating digital twins of human cells, enabling scientists to rapidly evaluate how unhealthy cells respond to drug candidates in silico. DeepLife has deployed and established proof-of-concept for its platform, and is now actively seeking partners for target identification and drug repositioning projects enabled by its digital twin technology. All diseases, and efforts to treat them, start at the cellular level. Small changes in the trillions of chemical interactions that make up human cells, which can be triggered by mutations or external forces, can cause cells to enter pathological states that ultimately manifest in diseases.

It typically takes 15 years and 2.6 billion dollars to go from a small molecule in the lab to an approved drug1,2,3, and for natural products and phenotypic screen derived small molecules, one of the greatest bottlenecks is identifying the targets of any candidate molecules2,4. Proper understanding of binding targets can position drugs for ideal indications and patients, allow for better analog design, and explain observed adverse events. There exist a number of experimental approaches for target identification ranging from affinity pull-downs to genome-wide knockdown screens4,5, but these approaches are labor, resource, and time intensive, not to mention failure prone. Computational approaches have the potential to substantially reduce the work and resources needed for drug target identification. Traditionally, ligand-based approaches take known binding targets for a given drug and attempt to find other drugs or proteins that are sufficiently similar6.

Looking at patient clinical and biomedical data we try to dig into molecular-level detail to redefine the disease and better endotyping for two main purposes: target identification and designing better clinical trials. There is an abundance of patient data created e.g. With increasing amounts of data being generated, we need AI models to help make meaningful discoveries. Precision medicine is the future of medicine. Our belief is that by better understanding the underlying mechanisms of diseases in patients and identifying more specific and precise endotypes, we will be able to provide better medicines that are efficient in the specific patients groups they are developed for.