In time series editing, we aim to modify some properties of a given time series without altering others. For example, when analyzing a hospital patient's blood pressure, we may add a sudden early drop and observe how it impacts their future while preserving other conditions. Existing diffusion-based editors rely on rigid, predefined attribute vectors as conditions and produce all-or-nothing edits through sampling. This attribute- and sampling-based approach limits flexibility in condition format and lacks customizable control over editing strength. To overcome these limitations, we introduce Instruction-based Time Series Editing, where users specify intended edits using natural language. This allows users to express a wider range of edits in a more accessible format. We then introduce InstructTime, the first instruction-based time series editor. InstructTime takes in time series and instructions, embeds them into a shared multi-modal representation space, then decodes their embeddings to generate edited time series. By learning a structured multi-modal representation space, we can easily interpolate between embeddings to achieve varying degrees of edit. To handle local and global edits together, we propose multi-resolution encoders. In our experiments, we use synthetic and real datasets and find that InstructTime is a state-of-the-art time series editor: InstructTime achieves high-quality edits with controllable strength, can generalize to unseen instructions, and can be easily adapted to unseen conditions through few-shot learning.

Large language models (LLMs) that fluently converse with humans are a reality - but do LLMs experience human-like processing difficulties? We systematically compare human and LLM sentence comprehension across seven challenging linguistic structures. We collect sentence comprehension data from humans and five families of state-of-the-art LLMs, varying in size and training procedure in a unified experimental framework. Our results show LLMs overall struggle on the target structures, but especially on garden path (GP) sentences. Indeed, while the strongest models achieve near perfect accuracy on non-GP structures (93.7% for GPT-5), they struggle on GP structures (46.8% for GPT-5). Additionally, when ranking structures based on average performance, rank correlation between humans and models increases with parameter count. For each target structure, we also collect data for their matched baseline without the difficult structure. Comparing performance on the target vs. baseline sentences, the performance gap observed in humans holds for LLMs, with two exceptions: for models that are too weak performance is uniformly low across both sentence types, and for models that are too strong the performance is uniformly high. Together, these reveal convergence and divergence in human and LLM sentence comprehension, offering new insights into the similarity of humans and LLMs.

Diffusion models have demonstrated remarkable success in various domains, including molecular generation.

In this work, we present the first general logic of attention. Attention is a powerful cognitive ability that allows agents to focus on potentially complex information, such as logically structured propositions, higher-order beliefs, or what other agents pay attention to. This ability is a strength, as it helps to ignore what is irrelevant, but it can also introduce biases when some types of information or agents are systematically ignored. Existing dynamic epistemic logics for attention cannot model such complex attention scenarios, as they only model attention to atomic formulas. Additionally, such logics quickly become cumbersome, as their size grows exponentially in the number of agents and announced literals. Here, we introduce a logic that overcomes both limitations. First, we generalize edge-conditioned event models, which we show to be as expressive as standard event models yet exponentially more succinct (generalizing both standard event models and generalized arrow updates). Second, we extend attention to arbitrary formulas, allowing agents to also attend to other agents' beliefs or attention. Our work treats attention as a modality, like belief or awareness. We introduce attention principles that impose closure properties on that modality and that can be used in its axiomatization. Throughout, we illustrate our framework with examples of AI agents reasoning about human attentional biases, demonstrating how such agents can discover attentional biases.

We define a digital twin (DT) of a physical system governed by partial differential equations (PDEs) as a model for real-time simulations and control of the system behavior under changing conditions. We construct DTs using the Karhunen-Lo\`{e}ve Neural Network (KL-NN) surrogate model and transfer learning (TL). The surrogate model allows fast inference and differentiability with respect to control parameters for control and optimization. TL is used to retrain the model for new conditions with minimal additional data. We employ the moment equations to analyze TL and identify parameters that can be transferred to new conditions. The proposed analysis also guides the control variable selection in DT to facilitate efficient TL. For linear PDE problems, the non-transferable parameters in the KL-NN surrogate model can be exactly estimated from a single solution of the PDE corresponding to the mean values of the control variables under new target conditions. Retraining an ML model with a single solution sample is known as one-shot learning, and our analysis shows that the one-shot TL is exact for linear PDEs. For nonlinear PDE problems, transferring of any parameters introduces errors. For a nonlinear diffusion PDE model, we find that for a relatively small range of control variables, some surrogate model parameters can be transferred without introducing a significant error, some can be approximately estimated from the mean-field equation, and the rest can be found using a linear residual least square problem or an ordinary linear least square problem if a small labeled dataset for new conditions is available. The former approach results in a one-shot TL while the latter approach is an example of a few-shot TL. Both methods are approximate for the nonlinear PDEs.

Deep generative models for molecular discovery have become a very popular choice in new high-throughput screening paradigms. These models have been developed inheriting from the advances in natural language processing and computer vision, achieving ever greater results. However, generative molecular modelling has unique challenges that are often overlooked. Chemical validity, interpretability of the generation process and flexibility to variable molecular sizes are among some of the remaining challenges for generative models in computational materials design. In this work, we propose an autoregressive approach that decomposes molecular generation into a sequence of discrete and interpretable steps using molecular fragments as units, a 'molecular story'. Enforcing chemical rules in the stories guarantees the chemical validity of the generated molecules, the discrete sequential steps of a molecular story makes the process transparent improving interpretability, and the autoregressive nature of the approach allows the size of the molecule to be a decision of the model. We demonstrate the validity of the approach in a multi-target inverse design of electroactive organic compounds, focusing on the target properties of solubility, redox potential, and synthetic accessibility. Our results show that the model can effectively bias the generation distribution according to the prompted multi-target objective.

Diffusion models have demonstrated remarkable success in various domains, including molecular generation. However, conditional molecular generation remains a fundamental challenge due to an intrinsic trade-off between targeting specific chemical properties and generating meaningful samples from the data distribution. In this work, we present Time-Aware Conditional Synthesis (TACS), a novel approach to conditional generation on diffusion models. It integrates adaptively controlled plug-and-play "online" guidance into a diffusion model, driving samples toward the desired properties while maintaining validity and stability. A key component of our algorithm is our new type of diffusion sampler, Time Correction Sampler (TCS), which is used to control guidance and ensure that the generated molecules remain on the correct manifold at each reverse step of the diffusion process at the same time. Our proposed method demonstrates significant performance in conditional 3D molecular generation and offers a promising approach towards inverse molecular design, potentially facilitating advancements in drug discovery, materials science, and other related fields.

Mechanisms are essential components designed to perform specific tasks in various mechanical systems. However, designing a mechanism that satisfies certain kinematic or quasi-static requirements is a challenging task. The kinematic requirements may include the workspace of a mechanism, while the quasi-static requirements of a mechanism may include its torque transmission, which refers to the ability of the mechanism to transfer power and torque effectively. In this paper, we propose a deep learning-based generative model for generating multiple crank-rocker four-bar linkage mechanisms that satisfy both the kinematic and quasi-static requirements aforementioned. The proposed model is based on a conditional generative adversarial network (cGAN) with modifications for mechanism synthesis, which is trained to learn the relationship between the requirements of a mechanism with respect to linkage lengths. The results demonstrate that the proposed model successfully generates multiple distinct mechanisms that satisfy specific kinematic and quasi-static requirements. To evaluate the novelty of our approach, we provide a comparison of the samples synthesized by the proposed cGAN, traditional cVAE and NSGA-II. Our approach has several advantages over traditional design methods. It enables designers to efficiently generate multiple diverse and feasible design candidates while exploring a large design space. Also, the proposed model considers both the kinematic and quasi-static requirements, which can lead to more efficient and effective mechanisms for real-world use, making it a promising tool for linkage mechanism design.

Conditional story generation is significant in human-machine interaction, particularly in producing stories with complex plots. While Large language models (LLMs) perform well on multiple NLP tasks, including story generation, it is challenging to generate stories with both complex and creative plots. Existing methods often rely on detailed prompts to guide LLMs to meet target conditions, which inadvertently restrict the creative potential of the generated stories. We argue that leveraging information from exemplary human-written stories facilitates generating more diverse plotlines. Delving deeper into story details helps build complex and credible plots. In this paper, we propose a retrieval-au\textbf{G}mented sto\textbf{R}y generation framework with a f\textbf{O}rest of e\textbf{V}id\textbf{E}nce (GROVE) to enhance stories' complexity. We build a retrieval repository for target conditions to produce few-shot examples to prompt LLMs. Additionally, we design an ``asking-why'' prompting scheme that extracts a forest of evidence, providing compensation for the ambiguities that may occur in the generated story. This iterative process uncovers underlying story backgrounds. Finally, we select the most fitting chains of evidence from the evidence forest and integrate them into the generated story, thereby enhancing the narrative's complexity and credibility. Experimental results and numerous examples verify the effectiveness of our method.