Molecular relational learning (MRL) focuses on understanding the interaction dynamics between molecules and has gained significant attention from researchers thanks to its diverse applications [20]. For instance, understanding how a medication dissolves in different solvents (medication-solvent interaction) is vital in pharmacy [30, 26, 3], while predicting the optical and photophysical properties of chromophores in various solvents (chromophore-solvent interaction) is essential for material discovery [16]. Because of the expensive time and financial costs associated with conducting wet lab experiments to test the interaction behavior of all possible molecular pairs [31], machine learning methods have been quickly embraced for MRL. Despite recent advancements in MRL, previous works tend to ignore molecules' 3D geometric information and instead focus solely on their 2D topological structures. However, in molecular science, the 3D geometric information of molecules (Figure 1 (a)) is crucial for understanding and predicting molecular behavior across various contexts, ranging from physical properties [1] to biological functions [10, 46]. This is particularly important in MRL, as geometric information plays a key role in molecular interactions by determining how molecules recognize, interact, and bind with one another in their interaction environment [34]. In traditional molecular dynamics simulations, explicit solvent models, which directly consider the detailed environment of molecular interaction, have demonstrated superior performance compared to implicit solvent models, which simplify the solvent as a continuous medium, highlighting the significance of explicitly modeling the complex geometries of interaction environments [47]. However, acquiring stereochemical structures of molecules is often very costly, resulting in limited availability of such 3D geometric information for downstream tasks [23].

Recent studies have explored the addition of virtual edges to word co-occurrence networks using word embeddings to enhance graph representations, particularly for short texts. While these enriched networks have demonstrated some success, the impact of incorporating semantic edges into traditional co-occurrence networks remains uncertain. In this study, we investigate two key statistical properties of text-based network models. First, we assess whether network metrics can effectively distinguish between meaningless and meaningful texts. Second, we analyze whether these metrics are more sensitive to syntactic or semantic aspects of the text. Our results show that incorporating virtual edges can have both positive and negative effects, depending on the specific network metric. For instance, the informativeness of the average shortest path and closeness centrality improves in short texts, while the clustering coefficient's informativeness decreases as more virtual edges are added. Additionally, we found that including stopwords affects the statistical properties of enriched networks. Our results can serve as a guideline for determining which network metrics are most appropriate for specific applications, depending on the typical text size and the nature of the problem.

In this work, we propose a minimalistic swarm flocking approach for multirotor unmanned aerial vehicles (UAVs). Our approach allows the swarm to achieve cohesively and aligned flocking (collective motion), in a random direction, without externally provided directional information exchange (alignment control). The method relies on minimalistic sensory requirements as it uses only the relative range and bearing of swarm agents in local proximity obtained through onboard sensors on the UAV. Thus, our method is able to stabilize and control the flock of a general shape above a steep terrain without any explicit communication between swarm members. To implement proximal control in a three-dimensional manner, the Lennard-Jones potential function is used to maintain cohesiveness and avoid collisions between robots. The performance of the proposed approach was tested in real-world conditions by experiments with a team of nine UAVs. Experiments also present the usage of our approach on UAVs that are independent of external positioning systems such as the Global Navigation Satellite System (GNSS). Relying only on a relative visual localization through the ultraviolet direction and ranging (UVDAR) system, previously proposed by our group, the experiments verify that our system can be applied in GNSS-denied environments. The degree achieved of alignment and cohesiveness was evaluated using the metrics of order and steady-state value.

Sycophancy refers to the tendency of a large language model to align its outputs with the user's perceived preferences, beliefs, or opinions, in order to look favorable, regardless of whether those statements are factually correct. This behavior can lead to undesirable consequences, such as reinforcing discriminatory biases or amplifying misinformation. Given that sycophancy is often linked to human feedback training mechanisms, this study explores whether sycophantic tendencies negatively impact user trust in large language models or, conversely, whether users consider such behavior as favorable. To investigate this, we instructed one group of participants to answer ground-truth questions with the assistance of a GPT specifically designed to provide sycophantic responses, while another group used the standard version of ChatGPT. Initially, participants were required to use the language model, after which they were given the option to continue using it if they found it trustworthy and useful. Trust was measured through both demonstrated actions and self-reported perceptions. The findings consistently show that participants exposed to sycophantic behavior reported and exhibited lower levels of trust compared to those who interacted with the standard version of the model, despite the opportunity to verify the accuracy of the model's output.

This paper addresses the problem of thrust estimation and control for the rotors of small-sized multirotors Uncrewed Aerial Vehicles (UAVs). Accurate control of the thrust generated by each rotor during flight is one of the main challenges for robust control of quadrotors. The most common approach is to approximate the mapping of rotor speed to thrust with a simple quadratic model. This model is known to fail under non-hovering flight conditions, introducing errors into the control pipeline. One of the approaches to modeling the aerodynamics around the propellers is the Blade Element Momentum Theory (BEMT). Here, we propose a novel BEMT-based closed-loop thrust estimator and control to eliminate the laborious calibration step of finding several aerodynamic coefficients. We aim to reuse known values as a baseline and fit the thrust estimate to values closest to the real ones with a simple test bench experiment, resulting in a single scaling value. A feedforward PID thrust control was implemented for each rotor, and the methods were validated by outdoor experiments with two multirotor UAV platforms: 250mm and 500mm. A statistical analysis of the results showed that the thrust estimation and control provided better robustness under aerodynamically varying flight conditions compared to the quadratic model.

We introduce GLM-4-Voice, an intelligent and human-like end-to-end spoken chatbot. It supports both Chinese and English, engages in real-time voice conversations, and varies vocal nuances such as emotion, intonation, speech rate, and dialect according to user instructions. GLM-4-Voice uses an ultra-low bitrate (175bps), single-codebook speech tokenizer with 12.5Hz frame rate derived from an automatic speech recognition (ASR) model by incorporating a vector-quantized bottleneck into the encoder. To efficiently transfer knowledge from text to speech modalities, we synthesize speech-text interleaved data from existing text pre-training corpora using a text-to-token model. We continue pre-training from the pre-trained text language model GLM-4-9B with a combination of unsupervised speech data, interleaved speech-text data, and supervised speech-text data, scaling up to 1 trillion tokens, achieving state-of-the-art performance in both speech language modeling and spoken question answering. We then fine-tune the pre-trained model with high-quality conversational speech data, achieving superior performance compared to existing baselines in both conversational ability and speech quality.

Adversarial attacks pose significant challenges in many machine learning applications, particularly in the setting of distributed training and federated learning, where malicious agents seek to corrupt the training process with the goal of jeopardizing and compromising the performance and reliability of the final models. In this paper, we address the problem of robust federated learning in the presence of such attacks by formulating the training task as a bi-level optimization problem. We conduct a theoretical analysis of the resilience of consensus-based bi-level optimization (CB$^2$O), an interacting multi-particle metaheuristic optimization method, in adversarial settings. Specifically, we provide a global convergence analysis of CB$^2$O in mean-field law in the presence of malicious agents, demonstrating the robustness of CB$^2$O against a diverse range of attacks. Thereby, we offer insights into how specific hyperparameter choices enable to mitigate adversarial effects. On the practical side, we extend CB$^2$O to the clustered federated learning setting by proposing FedCB$^2$O, a novel interacting multi-particle system, and design a practical algorithm that addresses the demands of real-world applications. Extensive experiments demonstrate the robustness of the FedCB$^2$O algorithm against label-flipping attacks in decentralized clustered federated learning scenarios, showcasing its effectiveness in practical contexts.

We propose a new approach to visual perception for relative localization of agents within large-scale swarms of UAVs. Inspired by biological perception utilized by schools of sardines, swarms of bees, and other large groups of animals capable of moving in a decentralized yet coherent manner, our method does not rely on detecting individual neighbors by each agent and estimating their relative position, but rather we propose to regress a neighbor density over distance. This allows for a more accurate distance estimation as well as better scalability with respect to the number of neighbors. Additionally, a novel swarm control algorithm is proposed to make it compatible with the new relative localization method. We provide a thorough evaluation of the presented methods and demonstrate that the regressing approach to distance estimation is more robust to varying relative pose of the targets and that it is suitable to be used as the main source of relative localization for swarm stabilization.

Recently, Large Language Models (LLMs) have garnered increasing attention in the field of natural language processing, revolutionizing numerous downstream tasks with powerful reasoning and generation abilities. For example, In-Context Learning (ICL) introduces a fine-tuning-free paradigm, allowing out-of-the-box LLMs to execute downstream tasks by analogy learning without any fine-tuning. Besides, in a fine-tuning-dependent paradigm where substantial training data exists, Parameter-Efficient Fine-Tuning (PEFT), as the cost-effective methods, enable LLMs to achieve excellent performance comparable to full fine-tuning. However, these fascinating techniques employed by LLMs have not been fully exploited in the ABSA field. Previous works probe LLMs in ABSA by merely using randomly selected input-output pairs as demonstrations in ICL, resulting in an incomplete and superficial evaluation. In this paper, we shed light on a comprehensive evaluation of LLMs in the ABSA field, involving 13 datasets, 8 ABSA subtasks, and 6 LLMs. Specifically, we design a unified task formulation to unify ``multiple LLMs for multiple ABSA subtasks in multiple paradigms.'' For the fine-tuning-dependent paradigm, we efficiently fine-tune LLMs using instruction-based multi-task learning. For the fine-tuning-free paradigm, we propose 3 demonstration selection strategies to stimulate the few-shot abilities of LLMs. Our extensive experiments demonstrate that LLMs achieve a new state-of-the-art performance compared to fine-tuned Small Language Models (SLMs) in the fine-tuning-dependent paradigm. More importantly, in the fine-tuning-free paradigm where SLMs are ineffective, LLMs with ICL still showcase impressive potential and even compete with fine-tuned SLMs on some ABSA subtasks.

Recent text-to-image diffusion models leverage cross-attention layers, which have been effectively utilized to enhance a range of visual generative tasks. However, our understanding of cross-attention layers remains somewhat limited. In this study, we present a method for constructing Head Relevance Vectors (HRVs) that align with useful visual concepts. An HRV for a given visual concept is a vector with a length equal to the total number of cross-attention heads, where each element represents the importance of the corresponding head for the given visual concept. We develop and employ an ordered weakening analysis to demonstrate the effectiveness of HRVs as interpretable features. To demonstrate the utility of HRVs, we propose concept strengthening and concept adjusting methods and apply them to enhance three visual generative tasks. We show that misinterpretations of polysemous words in image generation can be corrected in most cases, five challenging attributes in image editing can be successfully modified, and catastrophic neglect in multi-concept generation can be mitigated. Overall, our work provides an advancement in understanding cross-attention layers and introduces new approaches for fine-controlling these layers at the head level.