Recent advances in geometric deep learning and generative modeling have enabled the design of novel proteins with a wide range of desired properties. However, current state-of-the-art approaches are typically restricted to generating proteins with only static target properties, such as motifs and symmetries. In this work, we take a step towards overcoming this limitation by proposing a framework to condition structure generation on flexibility, which is crucial for key functionalities such as catalysis or molecular recognition. We first introduce BackFlip, an equivariant neural network for predicting per-residue flexibility from an input backbone structure. Relying on BackFlip, we propose FliPS, an SE(3)-equivariant conditional flow matching model that solves the inverse problem, that is, generating backbones that display a target flexibility profile. In our experiments, we show that FliPS is able to generate novel and diverse protein backbones with the desired flexibility, verified by Molecular Dynamics (MD) simulations. FliPS and BackFlip are available at https://github.com/graeter-group/flips .

This project implements a ResNet-based pipeline for land use and land cover (LULC) classification on Sentinel-2 imagery, benchmarked across three heterogeneous GPUs. The workflow automates data acquisition, geospatial preprocessing, tiling, model training, and visualization, and is fully containerized for reproducibility. Performance evaluation reveals up to a 2x training speed-up on an NVIDIA RTX 3060 and a Tesla T4 compared to the Apple M3 Pro baseline, while maintaining high classification accuracy on the EuroSAT dataset. These results demonstrate the feasibility of deploying deep learning LULC models on consumer and free cloud GPUs for scalable geospatial analytics.

Deep learning has transformed computer vision (CV), achieving outstanding performance in classification, segmentation, and related tasks. Such AI-based CV systems are becoming prevalent, with applications spanning from medical imaging to surveillance. State of the art models such as convolutional neural networks (CNNs) and vision transformers (ViTs) are often regarded as ``black boxes,'' offering limited transparency into their decision-making processes. Despite a recent advancement in explainable AI (XAI), explainability remains underutilized in practical CV deployments. A primary obstacle is the absence of integrated software solutions that connect XAI techniques with robust knowledge management and monitoring frameworks. To close this gap, we have developed Obz AI, a comprehensive software ecosystem designed to facilitate state-of-the-art explainability and observability for vision AI systems. Obz AI provides a seamless integration pipeline, from a Python client library to a full-stack analytics dashboard. With Obz AI, a machine learning engineer can easily incorporate advanced XAI methodologies, extract and analyze features for outlier detection, and continuously monitor AI models in real time. By making the decision-making mechanisms of deep models interpretable, Obz AI promotes observability and responsible deployment of computer vision systems.

Memory decay makes it harder for the human brain to recognize visual objects and retain details. Consequently, recorded brain signals become weaker, uncertain, and contain poor visual context over time. This paper presents one of the first vision-learning approaches to address this problem. First, we statistically and experimentally demonstrate the existence of inconsistency in brain signals and its impact on the Vision-Brain Understanding (VBU) model. Our findings show that brain signal representations shift over recording sessions, leading to compounding bias, which poses challenges for model learning and degrades performance. Then, we propose a new Bias-Mitigation Continual Learning (BRAIN) approach to address these limitations. In this approach, the model is trained in a continual learning setup and mitigates the growing bias from each learning step. A new loss function named De-bias Contrastive Learning is also introduced to address the bias problem. In addition, to prevent catastrophic forgetting, where the model loses knowledge from previous sessions, the new Angular-based Forgetting Mitigation approach is introduced to preserve learned knowledge in the model. Finally, the empirical experiments demonstrate that our approach achieves State-of-the-Art (SOTA) performance across various benchmarks, surpassing prior and non-continual learning methods.

Evaluating whether vision-language models (VLMs) reason consistently across representations is challenging because modality comparisons are typically confounded by task differences and asymmetric information. We introduce SEAM, a benchmark that pairs semantically equivalent inputs across four domains that have existing standardized textual and visual notations. By employing distinct notation systems across modalities, in contrast to OCR-based image-text pairing, SEAM provides a rigorous comparative assessment of the textual-symbolic and visual-spatial reasoning capabilities of VLMs. Across 21 contemporary models, we observe systematic modality imbalance: vision frequently lags language in overall performance, despite the problems containing semantically equivalent information, and cross-modal agreement is relatively low. Our error analysis reveals two main drivers: textual perception failures from tokenization in domain notation and visual perception failures that induce hallucinations. We also show that our results are largely robust to visual transformations. SEAM establishes a controlled, semantically equivalent setting for measuring and improving modality-agnostic reasoning.

The ``black-box'' nature of deep learning models presents a significant barrier to their adoption for scientific discovery, where interpretability is paramount. This challenge is especially pronounced in discovering the governing equations of dynamical processes on networks or graphs, since even their topological structure further affects the processes' behavior. This paper provides a rigorous, comparative assessment of state-of-the-art symbolic regression techniques for this task. We evaluate established methods, including sparse regression and MLP-based architectures, and introduce a novel adaptation of Kolmogorov-Arnold Networks (KANs) for graphs, designed to exploit their inherent interpretability. Across a suite of synthetic and real-world dynamical systems, our results demonstrate that both MLP and KAN-based architectures can successfully identify the underlying symbolic equations, significantly surpassing existing baselines. Critically, we show that KANs achieve this performance with greater parsimony and transparency, as their learnable activation functions provide a clearer mapping to the true physical dynamics. This study offers a practical guide for researchers, clarifying the trade-offs between model expressivity and interpretability, and establishes the viability of neural-based architectures for robust scientific discovery on complex systems.

Large Language Models (LLMs) have demonstrated remarkable capabilities in understanding and generating human-like text, yet they largely operate as reactive agents, responding only when directly prompted. This passivity creates an "awareness gap," limiting their potential as truly collaborative partners in dynamic human discussions. We introduce $\textit{DiscussLLM}$, a framework designed to bridge this gap by training models to proactively decide not just $\textit{what}$ to say, but critically, $\textit{when}$ to speak. Our primary contribution is a scalable two-stage data generation pipeline that synthesizes a large-scale dataset of realistic multi-turn human discussions. Each discussion is annotated with one of five intervention types (e.g., Factual Correction, Concept Definition) and contains an explicit conversational trigger where an AI intervention adds value. By training models to predict a special silent token when no intervention is needed, they learn to remain quiet until a helpful contribution can be made. We explore two architectural baselines: an integrated end-to-end model and a decoupled classifier-generator system optimized for low-latency inference. We evaluate these models on their ability to accurately time interventions and generate helpful responses, paving the way for more situationally aware and proactive conversational AI.

The combination of Transformer-based encoders with contrastive learning represents the current mainstream paradigm for sentence representation learning. This paradigm is typically based on the hidden states of the last Transformer block of the encoder. However, within Transformer-based encoders, different blocks exhibit varying degrees of semantic perception ability. From the perspective of interpretability, the semantic perception potential of knowledge neurons is modulated by stimuli, thus rational cross-block representation fusion is a direction worth optimizing. To balance the semantic redundancy and loss across block fusion, we propose a sentence representation selection mechanism S\textsuperscript{2}Sent, which integrates a parameterized nested selector downstream of the Transformer-based encoder. This selector performs spatial selection (SS) and nested frequency selection (FS) from a modular perspective. The SS innovatively employs a spatial squeeze based self-gating mechanism to obtain adaptive weights, which not only achieves fusion with low information redundancy but also captures the dependencies between embedding features. The nested FS replaces GAP with different DCT basis functions to achieve spatial squeeze with low semantic loss. Extensive experiments have demonstrated that S\textsuperscript{2}Sent achieves significant improvements over baseline methods with negligible additional parameters and inference latency, while highlighting high integrability and scalability.

We analyse the complexity of the satisfiability problem ssmSAT for State Space Models (SSM), which asks whether an input sequence can lead the model to an accepting configuration. We find that ssmSAT is undecidable in general, reflecting the computational power of SSM. Motivated by practical settings, we identify two natural restrictions under which ssmSAT becomes decidable and establish corresponding complexity bounds. First, for SSM with bounded context length, ssmSAT is NP-complete when the input length is given in unary and in NEXPTIME (and PSPACE-hard) when the input length is given in binary. Second, for quantised SSM operating over fixed-width arithmetic, ssmSAT is PSPACE-complete resp. in EXPSPACE depending on the bit-width encoding. While these results hold for diagonal gated SSM we also establish complexity bounds for time-invariant SSM. Our results establish a first complexity landscape for formal reasoning in SSM and highlight fundamental limits and opportunities for the verification of SSM-based language models.

This study explores the challenge of improving multiclass image classification through quantum machine-learning techniques. It explores how the discarded qubit states of Noisy Intermediate-Scale Quantum (NISQ) quantum convolutional neural networks (QCNNs) can be leveraged alongside a classical classifier to improve classification performance. Current QCNNs discard qubit states after pooling; yet, unlike classical pooling, these qubits often remain entangled with the retained ones, meaning valuable correlated information is lost. We experiment with recycling this information and combining it with the conventional measurements from the retained qubits. Accordingly, we propose a hybrid quantum-classical architecture that couples a modified QCNN with fully connected classical layers. Two shallow fully connected (FC) heads separately process measurements from retained and discarded qubits, whose outputs are ensembled before a final classification layer. Joint optimisation with a classical cross-entropy loss allows both quantum and classical parameters to adapt coherently. The method outperforms comparable lightweight models on MNIST, Fashion-MNIST and OrganAMNIST. These results indicate that reusing discarded qubit information is a promising approach for future hybrid quantum-classical models and may extend to tasks beyond image classification.