Disentangled Representation Learning via Flow Matching

Disentangled representation learning aims to capture the underlying explanatory factors of observed data, enabling a principled understanding of the data-generating process. Recent advances in generative modeling have introduced new paradigms for learning such representations. However, existing diffusion-based methods encourage factor independence via inductive biases, yet frequently lack strong semantic alignment. In this work, we propose a flow matching-based framework for disentangled representation learning, which casts disentanglement as learning factor-conditioned flows in a compact latent space. To enforce explicit semantic alignment, we introduce a non-overlap (orthogonality) regularizer that suppresses cross-factor interference and reduces information leakage between factors. Extensive experiments across multiple datasets demonstrate consistent improvements over representative baselines, yielding higher disentanglement scores as well as improved controllability and sample fidelity.

Refine and Purify: Orthogonal Basis Optimization with Null-Space Denoising for Conditional Representation Learning

Conditional representation learning aims to extract criterion-specific features for customized tasks. Recent studies project universal features onto the conditional feature subspace spanned by an LLM-generated text basis to obtain conditional representations. However, such methods face two key limitations: sensitivity to subspace basis and vulnerability to inter-subspace interference. To address these challenges, we propose OD-CRL, a novel framework integrating Adaptive Orthogonal Basis Optimization (AOBO) and Null-Space Denoising Projection (NSDP). Specifically, AOBO constructs orthogonal semantic bases via singular value decomposition with a curvature-based truncation. NSDP suppresses non-target semantic interference by projecting embeddings onto the null space of irrelevant subspaces. Extensive experiments conducted across customized clustering, customized classification, and customized retrieval tasks demonstrate that OD-CRL achieves a new state-of-the-art performance with superior generalization.

How to Achieve the Intended Aim of Deep Clustering Now, without Deep Learning

Deep clustering (DC) is often quoted to have a key advantage over $k$-means clustering. Yet, this advantage is often demonstrated using image datasets only, and it is unclear whether it addresses the fundamental limitations of $k$-means clustering. Deep Embedded Clustering (DEC) learns a latent representation via an autoencoder and performs clustering based on a $k$-means-like procedure, while the optimization is conducted in an end-to-end manner. This paper investigates whether the deep-learned representation has enabled DEC to overcome the known fundamental limitations of $k$-means clustering, i.e., its inability to discover clusters of arbitrary shapes, varied sizes and densities. Our investigations on DEC have a wider implication on deep clustering methods in general. Notably, none of these methods exploit the underlying data distribution. We uncover that a non-deep learning approach achieves the intended aim of deep clustering by making use of distributional information of clusters in a dataset to effectively address these fundamental limitations.

Characterizing Human Semantic Navigation in Concept Production as Trajectories in Embedding Space

Semantic representations can be framed as a structured, dynamic knowledge space through which humans navigate to retrieve and manipulate meaning. To investigate how humans traverse this geometry, we introduce a framework that represents concept production as navigation through embedding space. Using different transformer text embedding models, we construct participant-specific semantic trajectories based on cumulative embeddings and extract geometric and dynamical metrics, including distance to next, distance to centroid, entropy, velocity, and acceleration. These measures capture both scalar and directional aspects of semantic navigation, providing a computationally grounded view of semantic representation search as movement in a geometric space. We evaluate the framework on four datasets across different languages, spanning different property generation tasks: Neurodegenerative, Swear verbal fluency, Property listing task in Italian, and in German. Across these contexts, our approach distinguishes between clinical groups and concept types, offering a mathematical framework that requires minimal human intervention compared to typical labor-intensive linguistic pre-processing methods. Comparison with a non-cumulative approach reveals that cumulative embeddings work best for longer trajectories, whereas shorter ones may provide too little context, favoring the non-cumulative alternative. Critically, different embedding models yielded similar results, highlighting similarities between different learned representations despite different training pipelines. By framing semantic navigation as a structured trajectory through embedding space, bridging cognitive modeling with learned representation, thereby establishing a pipeline for quantifying semantic representation dynamics with applications in clinical research, cross-linguistic analysis, and the assessment of artificial cognition.

Orthogonal Self-Attention

Softmax Self-Attention (SSA) is a key component of Transformer architectures. However, when utilised within skipless architectures, which aim to improve representation learning, recent work has highlighted the inherent instability of SSA due to inducing rank collapse and poorly-conditioned Jacobians. In this work, we design a novel attention mechanism: Orthogonal Self-Attention (OSA), which aims to bypass these issues with SSA, in order to allow for (non-causal) Transformers without skip connections and normalisation layers to be more easily trained. In particular, OSA parametrises the attention matrix to be orthogonal via mapping a skew-symmetric matrix, formed from query-key values, through the matrix exponential. We show that this can be practically implemented, by exploiting the low-rank structure of our query-key values, resulting in the computational complexity and memory cost of OSA scaling linearly with sequence length. Furthermore, we derive an initialisation scheme for which we prove ensures that the Jacobian of OSA is well-conditioned.

Learning with Adaptive Prototype Manifolds for Out-of-Distribution Detection

Out-of-distribution (OOD) detection is a critical task for the safe deployment of machine learning models in the real world. Existing prototype-based representation learning methods have demonstrated exceptional performance. Specifically, we identify two fundamental flaws that universally constrain these methods: the Static Homogeneity Assumption (fixed representational resources for all classes) and the Learning-Inference Disconnect (discarding rich prototype quality knowledge at inference). These flaws fundamentally limit the model's capacity and performance. To address these issues, we propose APEX (Adaptive Prototype for eXtensive OOD Detection), a novel OOD detection framework designed via a Two-Stage Repair process to optimize the learned feature manifold. APEX introduces two key innovations to address these respective flaws: (1) an Adaptive Prototype Manifold (APM), which leverages the Minimum Description Length (MDL) principle to automatically determine the optimal prototype complexity $K_c^*$ for each class, thereby fundamentally resolving prototype collision; and (2) a Posterior-Aware OOD Scoring (PAOS) mechanism, which quantifies prototype quality (cohesion and separation) to bridge the learning-inference disconnect. Comprehensive experiments on benchmarks such as CIFAR-100 validate the superiority of our method, where APEX achieves new state-of-the-art performance.

When Are RL Hyperparameters Benign? A Study in Offline Goal-Conditioned RL

Hyperparameter sensitivity in Deep Reinforcement Learning (RL) is often accepted as unavoidable. However, it remains unclear whether it is intrinsic to the RL problem or exacerbated by specific training mechanisms. We investigate this question in offline goal-conditioned RL, where data distributions are fixed, and non-stationarity can be explicitly controlled via scheduled shifts in data quality. Additionally, we study varying data qualities under both stationary and non-stationary regimes, and cover two representative algorithms: HIQL (bootstrapped TD-learning) and QRL (quasimetric representation learning). Overall, we observe substantially greater robustness to changes in hyperparameter configurations than commonly reported for online RL, even under controlled non-stationarity. Once modest expert data is present ($\approx$ 20\%), QRL maintains broad, stable near-optimal regions, while HIQL exhibits sharp optima that drift significantly across training phases. To explain this divergence, we introduce an inter-goal gradient alignment diagnostic. We find that bootstrapped objectives exhibit stronger destructive gradient interference, which coincides directly with hyperparameter sensitivity. These results suggest that high sensitivity to changes in hyperparameter configurations during training is not inevitable in RL, but is amplified by the dynamics of bootstrapping, offering a pathway toward more robust algorithmic objective design.

SHaSaM: Submodular Hard Sample Mining for Fair Facial Attribute Recognition

Deep neural networks often inherit social and demographic biases from annotated data during model training, leading to unfair predictions, especially in the presence of sensitive attributes like race, age, gender etc. Existing methods fall prey to the inherent data imbalance between attribute groups and inadvertently emphasize on sensitive attributes, worsening unfairness and performance. To surmount these challenges, we propose SHaSaM (Submodular Hard Sample Mining), a novel combinatorial approach that models fairness-driven representation learning as a submodular hard-sample mining problem. Our two-stage approach comprises of SHaSaM-MINE, which introduces a submodular subset selection strategy to mine hard positives and negatives - effectively mitigating data imbalance, and SHaSaM-LEARN, which introduces a family of combinatorial loss functions based on Submodular Conditional Mutual Information to maximize the decision boundary between target classes while minimizing the influence of sensitive attributes. This unified formulation restricts the model from learning features tied to sensitive attributes, significantly enhancing fairness without sacrificing performance. Experiments on CelebA and UTKFace demonstrate that SHaSaM achieves state-of-the-art results, with up to 2.7 points improvement in model fairness (Equalized Odds) and a 3.5% gain in Accuracy, within fewer epochs as compared to existing methods.

Phi-Former: A Pairwise Hierarchical Approach for Compound-Protein Interactions Prediction

Drug discovery remains time-consuming, labor-intensive, and expensive, often requiring years and substantial investment per drug candidate. Predicting compound-protein interactions (CPIs) is a critical component in this process, enabling the identification of molecular interactions between drug candidates and target proteins. Recent deep learning methods have successfully modeled CPIs at the atomic level, achieving improved efficiency and accuracy over traditional energy-based approaches. However, these models do not always align with chemical realities, as molecular fragments (motifs or functional groups) typically serve as the primary units of biological recognition and binding. In this paper, we propose Phi-former, a pairwise hierarchical interaction representation learning method that addresses this gap by incorporating the biological role of motifs in CPIs. Phi-former represents compounds and proteins hierarchically and employs a pairwise pre-training framework to model interactions systematically across atom-atom, motif-motif, and atom-motif levels, reflecting how biological systems recognize molecular partners. We design intra-level and inter-level learning pipelines that make different interaction levels mutually beneficial. Experimental results demonstrate that Phi-former achieves superior performance on CPI-related tasks. A case study shows that our method accurately identifies specific atoms or motifs activated in CPIs, providing interpretable model explanations. These insights may guide rational drug design and support precision medicine applications.

CSRv2: Unlocking Ultra-Sparse Embeddings

In the era of large foundation models, the quality of embeddings has become a central determinant of downstream task performance and overall system capability. Yet widely used dense embeddings are often extremely high-dimensional, incurring substantial costs in storage, memory, and inference latency. To address these, Contrastive Sparse Representation (CSR) is recently proposed as a promising direction, mapping dense embeddings into high-dimensional but k-sparse vectors, in contrast to compact dense embeddings such as Matryoshka Representation Learning (MRL). Despite its promise, CSR suffers severe degradation in the ultra-sparse regime, where over 80% of neurons remain inactive, leaving much of its efficiency potential unrealized. In this paper, we introduce CSRv2, a principled training approach designed to make ultra-sparse embeddings viable. CSRv2 stabilizes sparsity learning through progressive k-annealing, enhances representational quality via supervised contrastive objectives, and ensures end-to-end adaptability with full backbone finetuning. CSRv2 reduces dead neurons from 80% to 20% and delivers a 14% accuracy gain at k=2, bringing ultra-sparse embeddings on par with CSR at k=8 and MRL at 32 dimensions, all with only two active features. While maintaining comparable performance, CSRv2 delivers a 7x speedup over MRL, and yields up to 300x improvements in compute and memory efficiency relative to dense embeddings in text representation. Extensive experiments across text and vision demonstrate that CSRv2 makes ultra-sparse embeddings practical without compromising performance, where CSRv2 achieves 7%/4% improvement over CSR when k=4 and further increases this gap to 14%/6% when k=2 in text/vision representation. By making extreme sparsity viable, CSRv2 broadens the design space for real-time and edge-deployable AI systems where both embedding quality and efficiency are critical.