Spiking neural networks (SNNs) have demonstrated significant potential in real-time multi-sensor perception tasks due to their event-driven and parameter-efficient characteristics. A key challenge is the timestep-wise iterative update of neuronal hidden states (membrane potentials), which complicates the trade-off between accuracy and latency. SNNs tend to achieve better performance with longer timesteps, inevitably resulting in higher computational overhead and latency compared to artificial neural networks (ANNs). Moreover, many recent advances in SNNs rely on architecture-specific optimizations, which, while effective with fewer timesteps, often limit generalizability and scalability across modalities and models. To address these limitations, we propose Activation-wise Membrane Potential Propagation (AMP2), a unified hidden state update mechanism for SNNs. Inspired by the spatial propagation of membrane potentials in biological neurons, AMP2 enables dynamic transmission of membrane potentials among spatially adjacent neurons, facilitating spatiotemporal integration and cooperative dynamics of hidden states, thereby improving efficiency and accuracy while reducing reliance on extended temporal updates. This simple yet effective strategy significantly enhances SNN performance across various architectures, including MLPs and CNNs for point cloud and event-based data. Furthermore, ablation studies integrating AMP2 into Transformer-based SNNs for classification tasks demonstrate its potential as a general-purpose and efficient solution for spiking neural networks.

Multiple agents are increasingly combined to make decisions with the expectation of achieving complementary performance, where the decisions they make together outperform those made individually. However, knowing how to improve the performance of collaborating agents requires knowing what information and strategies each agent employs. With a focus on human-AI pairings, we contribute a decision-theoretic framework for characterizing the value of information. By defining complementary information, our approach identifies opportunities for agents to better exploit available information in AI-assisted decision workflows. We present a novel explanation technique (ILIV-SHAP) that adapts SHAP explanations to highlight human-complementing information. We validate the effectiveness of our framework and ILIV-SHAP through a study of human-AI decision-making, and demonstrate the framework on examples from chest X-ray diagnosis and deepfake detection. We find that presenting ILIV-SHAP with AI predictions leads to reliably greater reductions in error over non-AI assisted decisions more than vanilla SHAP.

Neural operators have shown great potential in surrogate modeling. However, training a well-performing neural operator typically requires a substantial amount of data, which can pose a major challenge in complex applications. In such scenarios, detailed physical knowledge can be unavailable or difficult to obtain, and collecting extensive data is often prohibitively expensive. To mitigate this challenge, we propose the Pseudo Physics-Informed Neural Operator (PPI-NO) framework. PPI-NO constructs a surrogate physics system for the target system using partial differential equations (PDEs) derived from simple, rudimentary physics principles, such as basic differential operators. This surrogate system is coupled with a neural operator model, using an alternating update and learning process to iteratively enhance the model's predictive power. While the physics derived via PPI-NO may not mirror the ground-truth underlying physical laws -- hence the term ``pseudo physics'' -- this approach significantly improves the accuracy of standard operator learning models in data-scarce scenarios, which is evidenced by extensive evaluations across five benchmark tasks and a fatigue modeling application.

Behavior cloning has shown success in many sequential decision-making tasks by learning from expert demonstrations, yet they can be very sample inefficient and fail to generalize to unseen scenarios. One approach to these problems is to introduce general domain knowledge, such that the policy can focus on the essential features and may generalize to unseen states by applying that knowledge. Although this knowledge is easy to acquire from the experts, it is hard to be combined with learning from individual examples due to the lack of semantic structure in neural networks and the time-consuming nature of feature engineering. To enable learning from both general knowledge and specific demonstration trajectories, we use a large language model's coding capability to instantiate a policy structure based on expert domain knowledge expressed in natural language and tune the parameters in the policy with demonstrations. We name this approach the Knowledge Informed Model (KIM) as the structure reflects the semantics of expert knowledge. In our experiments with lunar lander and car racing tasks, our approach learns to solve the tasks with as few as 5 demonstrations and is robust to action noise, outperforming the baseline model without domain knowledge. This indicates that with the help of large language models, we can incorporate domain knowledge into the structure of the policy, increasing sample efficiency for behavior cloning.

Path loss prediction is a beneficial tool for efficient use of the radio frequency spectrum. Building on prior research on high-resolution map-based path loss models, this paper studies convolutional neural network input representations in more detail. We investigate different methods of representing scalar features in convolutional neural networks. Specifically, we compare using frequency and distance as input channels to convolutional layers or as scalar inputs to regression layers. We assess model performance using three different feature configurations and find that representing scalar features as image channels results in the strongest generalization.

This work addresses the lack of multimodal generative models capable of producing high-quality videos with spatially aligned audio. While recent advancements in generative models have been successful in video generation, they often overlook the spatial alignment between audio and visuals, which is essential for immersive experiences. To tackle this problem, we establish a new research direction in benchmarking the Spatially Aligned Audio-Video Generation (SAVG) task. We introduce a spatially aligned audio-visual dataset, whose audio and video data are curated based on whether sound events are onscreen or not. We also propose a new alignment metric that aims to evaluate the spatial alignment between audio and video. Then, using the dataset and metric, we benchmark two types of baseline methods: one is based on a joint audio-video generation model, and the other is a two-stage method that combines a video generation model and a video-to-audio generation model. Our experimental results demonstrate that gaps exist between the baseline methods and the ground truth in terms of video and audio quality, as well as spatial alignment between the two modalities.

The success of large language models (LLMs) for time series has been demonstrated in previous work. Utilizing a symbolic time series representation, one can efficiently bridge the gap between LLMs and time series. However, the remaining challenge is to exploit the semantic information hidden in time series by using symbols or existing tokens of LLMs, while aligning the embedding space of LLMs according to the hidden information of time series. The symbolic time series approximation (STSA) method called adaptive Brownian bridge-based symbolic aggregation (ABBA) shows outstanding efficacy in preserving salient time series features by modeling time series patterns in terms of amplitude and period while using existing tokens of LLMs. In this paper, we introduce a method, called LLM-ABBA, that integrates ABBA into large language models for various downstream time series tasks. By symbolizing time series, LLM-ABBA compares favorably to the recent state-of-the-art (SOTA) in UCR and three medical time series classification tasks. Meanwhile, a fixed-polygonal chain trick in ABBA is introduced to avoid obvious drifting during forecasting tasks by significantly mitigating the effects of cumulative error arising from misused symbols during the transition from symbols to numerical values. In time series regression tasks, LLM-ABBA achieves the new SOTA on Time Series Extrinsic Regression (TSER) benchmarks. LLM-ABBA also shows competitive forecasting capability compared to recent SOTA time series forecasting results. We believe this framework can also seamlessly extend to other time series tasks. Our simulation code is publicly available at: https://github.com/inEXASCALE/llm-abba

Current image immunization defense techniques against diffusion-based editing embed imperceptible noise into target images to disrupt editing models. However, these methods face scalability challenges, as they require time-consuming optimization for each image separately, taking hours for small batches. To address these challenges, we introduce DiffVax, a scalable, lightweight, and optimization-free framework for image immunization, specifically designed to prevent diffusion-based editing. Our approach enables effective generalization to unseen content, reducing computational costs and cutting immunization time from days to milliseconds, achieving a speedup of 250,000x. This is achieved through a loss term that ensures the failure of editing attempts and the imperceptibility of the perturbations. Extensive qualitative and quantitative results demonstrate that our model is scalable, optimization-free, adaptable to various diffusion-based editing tools, robust against counter-attacks, and, for the first time, effectively protects video content from editing. More details are available in https://diffvax.github.io/ .

During multimodal model training and testing, certain data modalities may be absent due to sensor limitations, cost constraints, privacy concerns, or data loss, negatively affecting performance. Multimodal learning techniques designed to handle missing modalities can mitigate this by ensuring model robustness even when some modalities are unavailable. This survey reviews recent progress in Multimodal Learning with Missing Modality (MLMM), focusing on deep learning methods. It provides the first comprehensive survey that covers the motivation and distinctions between MLMM and standard multimodal learning setups, followed by a detailed analysis of current methods, applications, and datasets, concluding with challenges and future directions.

Depth estimation from a monocular 360 image is important to the perception of the entire 3D environment. However, the inherent distortion and large field of view (FoV) in 360 images pose great challenges for this task. To this end, existing mainstream solutions typically introduce additional perspective-based 360 representations ({e.g., Cubemap) to achieve effective feature extraction. Nevertheless, regardless of the introduced representations, they eventually need to be unified into the equirectangular projection (ERP) format for the subsequent depth estimation, which inevitably reintroduces the troublesome distortions. In this work, we propose an oriented distortion-aware Gabor Fusion framework (PGFuse) to address the above challenges. First, we introduce Gabor filters that analyze texture in the frequency domain, thereby extending the receptive fields and enhancing depth cues. To address the reintroduced distortions, we design a linear latitude-aware distortion representation method to generate customized, distortion-aware Gabor filters (PanoGabor filters). Furthermore, we design a channel-wise and spatial-wise unidirectional fusion module (CS-UFM) that integrates the proposed PanoGabor filters to unify other representations into the ERP format, delivering effective and distortion-free features. Considering the orientation sensitivity of the Gabor transform, we introduce a spherical gradient constraint to stabilize this sensitivity. Experimental results on three popular indoor 360 benchmarks demonstrate the superiority of the proposed PGFuse to existing state-of-the-art solutions. Code and models will be available at https://github.com/zhijieshen-bjtu/PGFuse

The First-Mile Last-Mile (FMLM) connectivity is crucial for improving public transit accessibility and efficiency, particularly in sprawling suburban regions where traditional fixed-route transit systems are often inadequate. Autonomous on-Demand Shuttles (AODS) hold a promising option for FMLM connections due to their cost-effectiveness and improved safety features, thereby enhancing user convenience and reducing reliance on personal vehicles. A critical issue in AODS service design is the optimization of travel paths, for which realistic traffic network assignment combined with optimal routing offers a viable solution. In this study, we have designed an AODS controller that integrates a mesoscopic simulation-based dynamic traffic assignment model with a greedy insertion heuristics approach to optimize the travel routes of the shuttles. The controller also considers the charging infrastructure/strategies and the impact of the shuttles on regular traffic flow for routes and fleet-size planning. The controller is implemented in Aimsun traffic simulator considering Lake Nona in Orlando, Florida as a case study. We show that, under the present demand based on 1% of total trips as transit riders, a fleet of 3 autonomous shuttles can serve about 80% of FMLM trip requests on-demand basis with an average waiting time below 4 minutes. Additional power sources have significant effect on service quality as the inactive waiting time for charging would increase the fleet size. We also show that low-speed autonomous shuttles would have negligible impact on regular vehicle flow, making them suitable for suburban areas. These findings have important implications for sustainable urban planning and public transit operations.

Achieving high-precision control for robotic systems is hindered by the low-fidelity dynamical model and external disturbances. Especially, the intricate coupling between internal uncertainties and external disturbances further exacerbates this challenge. This study introduces an effective and convergent algorithm enabling accurate estimation of the coupled disturbance via combining control and learning philosophies. Concretely, by resorting to Chebyshev series expansion, the coupled disturbance is firstly decomposed into an unknown parameter matrix and two known structures dependent on system state and external disturbance respectively. A regularized least squares algorithm is subsequently formalized to learn the parameter matrix using historical time-series data. Finally, a polynomial disturbance observer is specifically devised to achieve a high-precision estimation of the coupled disturbance by utilizing the learned portion. The proposed algorithm is evaluated through extensive simulations and real flight tests. We believe this work can offer a new pathway to integrate learning approaches into control frameworks for addressing longstanding challenges in robotic applications.

We present a novel approach for synthesizing realistic novel views using Neural Radiance Fields (NeRF) with uncontrolled photos in the wild. While NeRF has shown impressive results in controlled settings, it struggles with transient objects commonly found in dynamic and time-varying scenes. Our framework called \textit{Inpainting Enhanced NeRF}, or \ours, enhances the conventional NeRF by drawing inspiration from the technique of image inpainting. Specifically, our approach extends the Multi-Layer Perceptrons (MLP) of NeRF, enabling it to simultaneously generate intrinsic properties (static color, density) and extrinsic transient masks. We introduce an inpainting module that leverages the transient masks to effectively exclude occlusions, resulting in improved volume rendering quality. Additionally, we propose a new training strategy with frequency regularization to address the sparsity issue of low-frequency transient components. We evaluate our approach on internet photo collections of landmarks, demonstrating its ability to generate high-quality novel views and achieve state-of-the-art performance.

Recently, there has been a surge in interest in developing optimization algorithms for overparameterized models as achieving generalization is believed to require algorithms with suitable biases. This interest centers on minimizing sharpness of the original loss function; the Sharpness-Aware Minimization (SAM) algorithm has proven effective. However, most literature only considers a few sharpness measures, such as the maximum eigenvalue or trace of the training loss Hessian, which may not yield meaningful insights for non-convex optimization scenarios like neural networks. Additionally, many sharpness measures are sensitive to parameter invariances in neural networks, magnifying significantly under rescaling parameters. Motivated by these challenges, we introduce a new class of sharpness measures in this paper, leading to new sharpness-aware objective functions. We prove that these measures are \textit{universally expressive}, allowing any function of the training loss Hessian matrix to be represented by appropriate hyperparameters. Furthermore, we show that the proposed objective functions explicitly bias towards minimizing their corresponding sharpness measures, and how they allow meaningful applications to models with parameter invariances (such as scale-invariances). Finally, as instances of our proposed general framework, we present \textit{Frob-SAM} and \textit{Det-SAM}, which are specifically designed to minimize the Frobenius norm and the determinant of the Hessian of the training loss, respectively. We also demonstrate the advantages of our general framework through extensive experiments.

The extraction of chemical-gene relations plays a pivotal role in understanding the intricate interactions between chemical compounds and genes, with significant implications for drug discovery, disease understanding, and biomedical research. This paper presents a data set created by merging the ChemProt and DrugProt datasets to augment sample counts and improve model accuracy. We evaluate the merged dataset using two state of the art relationship extraction algorithms: Bidirectional Encoder Representations from Transformers (BERT) specifically BioBERT, and Graph Convolutional Networks (GCNs) combined with BioBERT. While BioBERT excels at capturing local contexts, it may benefit from incorporating global information essential for understanding chemical-gene interactions. This can be achieved by integrating GCNs with BioBERT to harness both global and local context. Our results show that by integrating the ChemProt and DrugProt datasets, we demonstrated significant improvements in model performance, particularly in CPR groups shared between the datasets. Incorporating the global context using GCN can help increase the overall precision and recall in some of the CPR groups over using just BioBERT.

Constructing confidence intervals that are simultaneously valid across a class of estimates is central to tasks such as multiple mean estimation, generalization guarantees, and adaptive experimental design. We frame this as an ``error estimation problem," where the goal is to determine a high-probability upper bound on the maximum error for a class of estimates. We propose an entirely data-driven approach that derives such bounds for both finite and infinite class settings, naturally adapting to a potentially unknown correlation structure of random errors. Notably, our method does not require class complexity as an input, overcoming a major limitation of existing approaches. We present our simple yet general solution and demonstrate applications to simultaneous confidence intervals, excess-risk control and optimizing exploration in contextual bandit algorithms.

Modern AI systems such as self-driving cars and game-playing agents achieve superhuman performance, but often lack human-like generalization, interpretability, and inter-operability with human users. Inspired by the rich interactions between language and decision-making in humans, we introduce Policy Learning with a Language Bottleneck (PLLB), a framework enabling AI agents to generate linguistic rules that capture the high-level strategies underlying rewarding behaviors. PLLB alternates between a *rule generation* step guided by language models, and an *update* step where agents learn new policies guided by rules, even when a rule is insufficient to describe an entire complex policy. Across five diverse tasks, including a two-player signaling game, maze navigation, image reconstruction, and robot grasp planning, we show that PLLB agents are not only able to learn more interpretable and generalizable behaviors, but can also share the learned rules with human users, enabling more effective human-AI coordination. We provide source code for our experiments at https://github.com/meghabyte/bottleneck .

Large language models contain noisy general knowledge of the world, yet are hard to train or fine-tune. On the other hand cognitive architectures have excellent interpretability and are flexible to update but require a lot of manual work to instantiate. In this work, we combine the best of both worlds: bootstrapping a cognitive-based model with the noisy knowledge encoded in large language models. Through an embodied agent doing kitchen tasks, we show that our proposed framework yields better efficiency compared to an agent based entirely on large language models. Our experiments indicate that large language models are a good source of information for cognitive architectures, and the cognitive architecture in turn can verify and update the knowledge of large language models to a specific domain.

Group-invariant probability distributions appear in many data-generative models in machine learning, such as graphs, point clouds, and images. In practice, one often needs to estimate divergences between such distributions. In this work, we study how the inherent invariances, with respect to any smooth action of a Lie group on a manifold, improve sample complexity when estimating the 1-Wasserstein distance, the Sobolev Integral Probability Metrics (Sobolev IPMs), the Maximum Mean Discrepancy (MMD), and also the complexity of the density estimation problem (in the $L^2$ and $L^\infty$ distance). Our results indicate a two-fold gain: (1) reducing the sample complexity by a multiplicative factor corresponding to the group size (for finite groups) or the normalized volume of the quotient space (for groups of positive dimension); (2) improving the exponent in the convergence rate (for groups of positive dimension). These results are completely new for groups of positive dimension and extend recent bounds for finite group actions.

The rise of singing voice synthesis presents critical challenges to artists and industry stakeholders over unauthorized voice usage. Unlike synthesized speech, synthesized singing voices are typically released in songs containing strong background music that may hide synthesis artifacts. Additionally, singing voices present different acoustic and linguistic characteristics from speech utterances. These unique properties make singing voice deepfake detection a relevant but significantly different problem from synthetic speech detection. In this work, we propose the singing voice deepfake detection task. We first present SingFake, the first curated in-the-wild dataset consisting of 28.93 hours of bonafide and 29.40 hours of deepfake song clips in five languages from 40 singers. We provide a train/validation/test split where the test sets include various scenarios. We then use SingFake to evaluate four state-of-the-art speech countermeasure systems trained on speech utterances. We find these systems lag significantly behind their performance on speech test data. When trained on SingFake, either using separated vocal tracks or song mixtures, these systems show substantial improvement. However, our evaluations also identify challenges associated with unseen singers, communication codecs, languages, and musical contexts, calling for dedicated research into singing voice deepfake detection. The SingFake dataset and related resources are available at https://www.singfake.org/.

In practice, encoding invariances into models improves sample complexity. In this work, we study this phenomenon from a theoretical perspective. In particular, we provide minimax optimal rates for kernel ridge regression on compact manifolds, with a target function that is invariant to a group action on the manifold. Our results hold for any smooth compact Lie group action, even groups of positive dimension. For a finite group, the gain effectively multiplies the number of samples by the group size. For groups of positive dimension, the gain is observed by a reduction in the manifold's dimension, in addition to a factor proportional to the volume of the quotient space. Our proof takes the viewpoint of differential geometry, in contrast to the more common strategy of using invariant polynomials. This new geometric viewpoint on learning with invariances may be of independent interest.

Offensive speech detection is a key component of content moderation. However, what is offensive can be highly subjective. This paper investigates how machine and human moderators disagree on what is offensive when it comes to real-world social web political discourse. We show that (1) there is extensive disagreement among the moderators (humans and machines); and (2) human and large-language-model classifiers are unable to predict how other human raters will respond, based on their political leanings. For (1), we conduct a noise audit at an unprecedented scale that combines both machine and human responses. For (2), we introduce a first-of-its-kind dataset of vicarious offense. Our noise audit reveals that moderation outcomes vary wildly across different machine moderators. Our experiments with human moderators suggest that political leanings combined with sensitive issues affect both first-person and vicarious offense. The dataset is available through https://github.com/Homan-Lab/voiced.

The rapid proliferation of generative 3D models has created a critical bottleneck in animation pipelines: rigging. Existing automated methods are fundamentally limited by their approach to skinning, treating it as an ill-posed, high-dimensional regression task that is inefficient to optimize and is typically decoupled from skeleton generation. We posit this is a representation problem and introduce SkinTokens: a learned, compact, and discrete representation for skinning weights. By leveraging an FSQ-CVAE to capture the intrinsic sparsity of skinning, we reframe the task from continuous regression to a more tractable token sequence prediction problem. This representation enables TokenRig, a unified autoregressive framework that models the entire rig as a single sequence of skeletal parameters and SkinTokens, learning the complicated dependencies between skeletons and skin deformations. The unified model is then amenable to a reinforcement learning stage, where tailored geometric and semantic rewards improve generalization to complex, out-of-distribution assets. Quantitatively, the SkinTokens representation leads to a 98%-133% percents improvement in skinning accuracy over state-of-the-art methods, while the full TokenRig framework, refined with RL, enhances bone prediction by 17%-22%. Our work presents a unified, generative approach to rigging that yields higher fidelity and robustness, offering a scalable solution to a long-standing challenge in 3D content creation.

A controller -- a software module managing hardware behavior -- is a key component of a typical robot system. While control theory gives safety guarantees for standard controller designs, the practical implementation of controllers in software introduces complexities that are often overlooked. Controllers are often designed in continuous space, while the software is executed in discrete space, undermining some of the theoretical guarantees. Despite extensive research on control theory and control modeling, little attention has been paid to the implementations of controllers and how their theoretical guarantees are ensured in real-world software systems. We investigate 184 real-world controller implementations in open-source robot software. We examine their application context, the implementation characteristics, and the testing methods employed to ensure correctness. We find that the implementations often handle discretization in an ad hoc manner, leading to potential issues with real-time reliability. Challenges such as timing inconsistencies, lack of proper error handling, and inadequate consideration of real-time constraints further complicate matters. Testing practices are superficial, no systematic verification of theoretical guarantees is used, leaving possible inconsistencies between expected and actual behavior. Our findings highlight the need for improved implementation guidelines and rigorous verification techniques to ensure the reliability and safety of robotic controllers in practice.

We introduce PuppetAI, a modular soft robot interaction platform. This platform offers a scalable cable-driven actuation system and a customizable, puppet-inspired robot gesture framework, supporting a multitude of interaction gesture robot design formats. The platform comprises a four-layer decoupled software architecture that includes perceptual processing, affective modeling, motion scheduling, and low-level actuation. We also implemented an affective expression loop that connects human input to the robot platform by producing real-time emotional gestural responses to human vocal input. For our own designs, we have worked with nuanced gestures enacted by "soft robots" with enhanced dexterity and "pleasant-to-touch" plush exteriors. By reducing operational complexity and production costs while enhancing customizability, our work creates an adaptable and accessible foundation for future tactile-based expressive robot research. Our goal is to provide a platform that allows researchers to independently construct or refine highly specific gestures and movements performed by social robots.

Drawing on constructs from psychology, prior work has identified a distinction between explicit and implicit bias in large language models (LLMs). While many LLMs undergo post-training alignment and safety procedures to avoid expressions of explicit social bias, they still exhibit significant implicit biases on indirect tasks resembling the Implicit Association Test (IAT). Recent work has further shown that inference-time reasoning can impair LLM performance on tasks that rely on implicit statistical learning. Motivated by a theoretical link between implicit associations and statistical learning in human cognition, we examine how reasoning-enabled inference affects implicit bias in LLMs. We find that enabling reasoning significantly reduces measured implicit bias on an IAT-style evaluation for some model classes across fifteen stereotype topics. This effect appears specific to social bias domains, as we observe no corresponding reduction for non-social implicit associations. As reasoning is increasingly enabled by default in deployed LLMs, these findings suggest that it can meaningfully alter fairness evaluation outcomes in some systems, while also raising questions about how alignment procedures interact with inference-time reasoning to drive variation in bias reduction across model types. More broadly, this work highlights how theory from cognitive science and psychology can complement AI evaluation research by providing methodological and interpretive frameworks that reveal new insights into model behavior.

A complete understanding of heterogeneous treatment effects involves characterizing the full conditional distribution of potential outcomes. To this end, we propose the Conditional Counterfactual Mean Embeddings (CCME), a framework that embeds conditional distributions of counterfactual outcomes into a reproducing kernel Hilbert space (RKHS). Under this framework, we develop a two-stage meta-estimator for CCME that accommodates any RKHS-valued regression in each stage. Based on this meta-estimator, we develop three practical CCME estimators: (1) Ridge Regression estimator, (2) Deep Feature estimator that parameterizes the feature map by a neural network, and (3) Neural-Kernel estimator that performs RKHS-valued regression, with the coefficients parameterized by a neural network. We provide finite-sample convergence rates for all estimators, establishing that they possess the double robustness property. Our experiments demonstrate that our estimators accurately recover distributional features including multimodal structure of conditional counterfactual distributions.

The introduction of large language models ignited great retooling and rethinking of the software development models. The ensuing response of software engineering research yielded a massive body of tools and approaches. In this paper, we join the hassle by introducing agentic AI solutions for two tasks. First, we developed a solution for automatic test scenario generation from a detailed requirements description. This approach relies on specialized worker agents forming a star topology with the supervisor agent in the middle. We demonstrate its capabilities on a real-world example. Second, we developed an agentic AI solution for the document retrieval task in the context of software engineering documents. Our solution enables performing various use cases on a body of documents related to the development of a single software, including search, question answering, tracking changes, and large document summarization. In this case, each use case is handled by a dedicated LLM-based agent, which performs all subtasks related to the corresponding use case. We conclude by hinting at the future perspectives of our line of research.

Molecular representations are inherently task-dependent, yet most pre-trained molecular encoders are not. Task conditioning promises representations that reorganize based on task descriptions, but existing approaches rely on expensive labeled data. We show that weak supervision on programmatically derived molecular motifs is sufficient. Our Adaptive Chemical Embedding Model (ACE-Mol) learns from hundreds of motifs paired with natural language descriptors that are cheap to compute, trivial to scale. Conventional encoders slowly search the embedding space for task-relevant structure, whereas ACE-Mol immediately aligns its representations with the task. ACE-Mol achieves state-of-the-art performance across molecular property prediction benchmarks with interpretable, chemically meaningful representations.

Root-cause analysis in controlled time dependent systems poses a major challenge in applications. Especially energy systems are difficult to handle as they exhibit instantaneous as well as delayed effects and if equipped with storage, do have a memory. In this paper we adapt the causal root-cause analysis method of Budhathoki et al. [2022] to general time-dependent systems, as it can be regarded as a strictly causal definition of the term "root-cause". Particularly, we discuss two truncation approaches to handle the infinite dependency graphs present in time-dependent systems. While one leaves the causal mechanisms intact, the other approximates the mechanisms at the start nodes. The effectiveness of the different approaches is benchmarked using a challenging data generation process inspired by a problem in factory energy management: the avoidance of peaks in the power consumption. We show that given enough lags our extension is able to localize the root-causes in the feature and time domain. Further the effect of mechanism approximation is discussed.