Large language models (LLMs) are now used for academic expert recommendation. Existing audits typically evaluate such recommendations in isolation, ignoring end-user inference-time interventions. Thus, it remains unclear whether failures (e.g., refusals, hallucinations, uneven coverage) stem from model choice or deployment decisions. We introduce LLMScholarBench, a benchmark for auditing LLM-based scholar recommendation that jointly evaluates model infrastructure and end-user interventions across multiple tasks. LLMScholarBench measures technical quality and social representation using nine metrics. We instantiate the benchmark in physics expert recommendation and audit 22 LLMs under temperature variation, representation-constrained prompting, and retrieval-augmented generation (RAG) via web search. Our results show that each intervention entails distinct tradeoffs. Higher temperature degrades validity, consistency, and factuality. Representation-constrained prompting improves diversity at the expense of factuality, while RAG primarily improves technical quality while reducing diversity and parity. Overall, end-user interventions reshape trade-offs rather than providing uniform gains. LLMScholarBench makes all these dynamics auditable across models and interventions in LLM-based scholar recommendations.

Deep learning-based hybrid iterative methods (DL-HIMs) integrate classical numerical solvers with neural operators, utilizing their complementary spectral biases to accelerate convergence. Despite this promise, many DL-HIMs stagnate at false fixed points where neural updates vanish while the physical residual remains large, raising questions about reliability in scientific computing. In this paper, we provide evidence that performance is highly sensitive to training paradigms and update strategies, even when the neural architecture is fixed. Through a detailed study of a DeepONet-based hybrid iterative numerical transferable solver (HINTS) and an FFT-based Fourier neural solver (FNS), we show that significant physical residuals can persist when training objectives are not aligned with solver dynamics and problem physics. We further examine Anderson acceleration (AA) and demonstrate that its classical form is ill-suited for nonlinear neural operators. To overcome this, we introduce physics-aware Anderson acceleration (PA-AA), which minimizes the physical residual rather than the fixed-point update. Numerical experiments confirm that PA-AA restores reliable convergence in substantially fewer iterations. These findings provide a concrete answer to ongoing controversies surrounding AI-based PDE solvers: reliability hinges not only on architectures but on physically informed training and iteration design.

Phishing and related cyber threats are becoming increasingly sophisticated, with email-based phishing remaining the most persistent attack vector. These attacks exploit human vulnerabilities to deliver malware or gain unauthorized access to sensitive information. Transformer-based models enhance phishing detection through robust contextual language understanding; yet they are often regarded as black boxes due to a lack of interpretability. Moreover, recent AI-enabled attacks further undermine model resilience. To address these challenges, this work proposes a lightweight phishing detection framework based on DistilBERT, a lightweight Transformer model. Robustness to embedding-level perturbations and character-level input noise is enhanced through gradient-based adversarial training using the Fast Gradient Method (FGM), combined with stochastic character-level perturbations. To improve transparency, three prominent Explainable AI (XAI) methods, LIME (Local Interpretable Model-agnostic Explanations), SHAP (SHapley Additive exPlanations), and IG (Integrated Gradients), are integrated to interpret model decision-making. A structured rule-based prompt combines model predictions and XAI features to guide Flan-T5-Small in generating plain-language, evidence-based explanations. Experimental results demonstrate that the proposed framework outperforms a standard DistilBERT-based detection model trained without robustness enhancements in terms of accuracy and resilience. This integrated approach helps bridge the gap between model reliability and user trust, advancing transparent phishing detection.

Optimization is central to both modern machine learning (ML) and scientific machine learning (SciML), yet the structure of the underlying optimization problems differs substantially across these domains. Classical ML typically relies on stochastic, sample-separable objectives that favor first-order and adaptive gradient methods. In contrast, SciML often involves physics-informed or operator-constrained formulations in which differential operators induce global coupling, stiffness, and strong anisotropy in the loss landscape. As a result, optimization behavior in SciML is governed by the spectral properties of the underlying physical models rather than by data statistics, frequently limiting the effectiveness of standard stochastic methods and motivating deterministic or curvature-aware approaches. This document provides a unified introduction to optimization methods in ML and SciML, emphasizing how problem structure shapes algorithmic choices. We review first- and second-order optimization techniques in both deterministic and stochastic settings, discuss their adaptation to physics-constrained and data-driven SciML models, and illustrate practical strategies through tutorial examples, while highlighting open research directions at the interface of scientific computing and scientific machine learning.

Optimal control of obstacle problems arises in a wide range of applications and is computationally challenging due to its nonsmoothness, nonlinearity, and bilevel structure. Classical numerical approaches rely on mesh-based discretization and typically require solving a sequence of costly subproblems. In this work, we propose a single-loop bilevel deep learning method, which is mesh-free, scalable to high-dimensional and complex domains, and avoids repeated solution of discretized subproblems. The method employs constraint-embedding neural networks to approximate the state and control and preserves the bilevel structure. To train the neural networks efficiently, we propose a Single-Loop Stochastic First-Order Bilevel Algorithm (S2-FOBA), which eliminates nested optimization and does not rely on restrictive lower-level uniqueness assumptions. We analyze the convergence behavior of S2-FOBA under mild assumptions. Numerical experiments on benchmark examples, including distributed and obstacle control problems with regular and irregular obstacles on complex domains, demonstrate that the proposed method achieves satisfactory accuracy while reducing computational cost compared to classical numerical methods.

Machine learning interatomic potentials (MLIPs) have brought substantial gains in the extrapolation capability in computational chemistry. However, most equivariant models are typically built with spherical tensors (STs), while Cartesian tensor formulations remain less developed despite their natural alignment with atomic coordinates and tensorial targets. In this work, we develop a Cartesian framework for irreducible Cartesian tensors (ICTs) by introduce the \texttt{Cartesian-3j} symbol and Cartesian Generalized Clebsch-Gordan Coefficients, which serve as direct analogues of the \texttt{Wigner-3j} symbol and Generalized Clebsch-Gordan coefficients defined for ST coupling. We extend the \texttt{e3nn} library to support ICT product, and use this framework to build Cartesian counterparts of \texttt{MACE}, \texttt{NequIP}, and \texttt{Allegro}, allowing the first controlled comparison where architectures are held fixed and only the tensor basis is changed. Our experiments show that irreducible Cartesian models can achieve accuracy comparable to spherical counterparts, but direct Cartesianization incurs unfavorable compute and memory scaling, motivating dedicated Cartesian architectural choices. Leveraging ICTs and our framework, we introduce \texttt{TACE-v1-OAM-M} and demonstrate that it achieves competitive performance on Matbench Discovery compared to state-of-the-art ST models.

Emerging deep-learning-based lens library pre-training (LensLib-PT) pipeline offers a new avenue for blind lens aberration correction by training a universal neural network, demonstrating strong capability in handling diverse unknown optical degradations. This work proposes FoundCAC, a universal foundational framework that resolves two challenges hindering the generalization of existing pipelines: the difficulty of scaling training data and the absence of prior guidance characterizing optical degradation. To improve data scalability, we expand the design specifications to increase degradation diversity and construct AODLibpro, a large-scale, unbiased lens library based on a uniform sampling strategy that quantifies spatial-variation patterns and severity. In terms of model design, to leverage Point Spread Functions (PSFs) as guidance while maintaining the blind paradigm, we propose a multi-stage vector-quantized representation learning scheme. This paradigm is specifically designed to construct a Latent PSF Representation (LPR), explicitly encoding complex continuous PSFs into a discrete degradation prior to regularize the highly ill-posed restoration process. Through a simple yet effective codebook-freezing strategy, our framework leverages the discrete prior to elevate full-shot restoration performance and unlock highly efficient few-shot adaptation for unseen lenses. Experiments on diverse aberrations of synthetic LensLib and real-world lenses demonstrate that our framework achieves state-of-the-art zero-shot generalization while enabling highly efficient few-shot adaptation for specific lenses. The source code and datasets will be made publicly available at https://github.com/zju-jiangqi/FoundCAC.

In this study, a scalable online kernel learning framework is proposed for estimating bidirectional causal effects in systems characterized by mutual dependence and heteroskedasticity. Traditional causal inference often focuses on unidirectional effects, overlooking the common bidirectional relationships in real-world phenomena. Building on heteroskedasticity-based identification, the proposed method integrates a quasi-maximum likelihood estimator for simultaneous equation models with large scale online kernel learning. It employs random Fourier feature approximations to flexibly model nonlinear conditional means and variances, while an adaptive online gradient descent algorithm ensures computational efficiency for streaming and high-dimensional data. Results from extensive simulations demonstrate that the proposed method achieves superior accuracy and stability than single equation and polynomial approximation baselines, exhibiting lower bias and root mean squared error across various data-generating processes. These results confirm that the proposed approach effectively captures complex bidirectional causal effects with near-linear computational scaling. By combining econometric identification with modern machine learning techniques, the proposed framework offers a practical, scalable, and theoretically grounded solution for large scale causal inference in natural/social science, policy making, business, and industrial applications.

Low-rank recurrent neural networks (lrRNNs) are a class of models that uncover low-dimensional latent dynamics underlying neural population activity. Although their functional connectivity is low-rank, it lacks independence interpretations, making it difficult to assign distinct computational roles to different latent dimensions. To address this, we propose the Factored Recurrent Neural Network (FacRNN), a generative lrRNN framework that assumes group-wise independence among latent dynamics while allowing flexible within-group entanglement. These independent latent groups allow latent dynamics to evolve separately, but are internally rich for complex computation. We reformulate the lrRNN under a variational autoencoder (VAE) framework, enabling us to introduce a partial correlation penalty that encourages independence between groups of latent dimensions. Experiments on synthetic, monkey M1, and mouse voltage imaging data show that FacRNN consistently improves the disentanglement and interpretability of learned neural latent trajectories in low-dimensional space and low-rank connectivity over baseline lrRNNs that do not encourage group-wise independence.

Quantum error correction is essential for fault-tolerant quantum computing. However, standard methods relying on active measurements may introduce additional errors. Autonomous quantum error correction (AQEC) circumvents this by utilizing engineered dissipation and drives in bosonic systems, but identifying practical encoding remains challenging due to stringent Knill-Laflamme conditions. In this work, we utilize curriculum learning enabled deep reinforcement learning to discover Bosonic codes under approximate AQEC framework to resist both single-photon and double-photon losses. We present an analytical solution of solving the master equation under approximation conditions, which can significantly accelerate the training process of reinforcement learning. The agent first identifies an encoded subspace surpassing the breakeven point through rapid exploration within a constrained evolutionary time-frame, then strategically fine-tunes its policy to sustain this performance advantage over extended temporal horizons. We find that the two-phase trained agent can discover the optimal set of codewords, i.e., the Fock states $\ket{4}$ and $\ket{7}$ considering the effect of both single-photon and double-photon loss. We identify that the discovered code surpasses the breakeven threshold over a longer evolution time and achieve the state-of-art performance. We also analyze the robustness of the code against the phase damping and amplitude damping noise. Our work highlights the potential of curriculum learning enabled deep reinforcement learning in discovering the optimal quantum error correct code especially in early fault-tolerant quantum systems.

Computational modeling of single-cell gene expression is crucial for understanding cellular processes, but generating realistic expression profiles remains a major challenge. This difficulty arises from the count nature of gene expression data and complex latent dependencies among genes. Existing generative models often impose artificial gene orderings or rely on shallow neural network architectures. We introduce a scalable latent diffusion model for single-cell gene expression data, which we refer to as scLDM, that respects the fundamental exchangeability property of the data. Our VAE uses fixed-size latent variables leveraging a unified Multi-head Cross-Attention Block (MCAB) architecture, which serves dual roles: permutation-invariant pooling in the encoder and permutation-equivariant unpooling in the decoder. We enhance this framework by replacing the Gaussian prior with a latent diffusion model using Diffusion Transformers and linear interpolants, enabling high-quality generation with multi-conditional classifier-free guidance. We show its superior performance in a variety of experiments for both observational and perturbational single-cell data, as well as downstream tasks like cell-level classification.

We study learning multi-task, multi-agent policies for cooperative, temporal objectives, under centralized training, decentralized execution. In this setting, using automata to represent tasks assigned to agents enables breaking down a team-level objective into simpler, smaller sub-tasks. However, existing approaches remain sample-inefficient and are limited to the single-task case, requiring retraining policies for each new task. In this work, we present Automata-Conditioned Cooperative Multi-Agent Reinforcement Learning (ACC-MARL), a framework for learning task-conditioned, decentralized team policies. We identify challenges to the feasibility of ACC-MARL, propose solutions, and prove that our approach is optimal. We further show that learned value functions can be used to assign tasks optimally at test time. Experiments demonstrate emergent task-aware, multi-step coordination among agents, such as pressing a button to unlock a door, holding the door, and short-circuiting tasks.

Artificial intelligence (AI) is increasingly used to support renewable energy forecasting and grid operations. As renewable penetration grows, reliable probabilistic forecasting is becoming essential for managing uncertainty and supporting risk-aware operational decision-making. However, these forecasts often suffer from miscalibration due to temporal variability, changing weather conditions, and heterogeneous operating regimes. In many real-world settings, renewable energy forecasts are provided by external sources, vendors, or independently trained systems, making retraining infeasible because of limited model access or computational constraints. This creates a need for efficient and model-agnostic methods that can improve forecast reliability after they are produced. This paper presents Context-Aware Conformal Prediction (CACP), a framework for calibrating renewable energy forecasts. The proposed method relies on a weighting mechanism during the calibration procedure which assigns higher weights to historical observations that are more similar to the target forecasting condition. This enables adaptive prediction intervals that reflect local uncertainty regimes without requiring access to, or retraining of, the underlying forecasting model. Experiments are performed on a large-scale dataset from National Renewable Energy Laboratory (NREL) day-ahead solar forecasting, covering multiple systems including MISO, ERCTO, and SPP. The results show that CACP improves the reliability-efficiency tradeoff at both site and system levels compared to NREL's base forecasting model and the other conformal prediction baselines. These results suggest that CACP can serve as a practical reliability-enhancement layer for trustworthy AI-enabled renewable energy forecasting and operational decision support.

Generative networks are perfect tools to enhance the speed and precision of LHC simulations. It is important to understand their statistical precision, especially when generating events beyond the size of the training dataset. We present two complementary methods to estimate the amplification factor without large holdout datasets. Averaging amplification uses Bayesian networks or ensembling to estimate amplification from the precision of integrals over given phase-space volumes. Differential amplification uses hypothesis testing to quantify amplification without any resolution loss. Applied to state-of-the-art event generators, both methods indicate that amplification is possible in specific regions of phase space, but not yet across the entire distribution.

We present TalkPlayData 2, a synthetic dataset for multimodal conversational music recommendation generated by an agentic data pipeline. In the proposed pipeline, multiple large language model (LLM) agents are created under various roles with specialized prompts and access to different parts of information, and the chat data is acquired by logging the conversation between the Listener LLM and the Recsys LLM. To cover various conversation scenarios, for each conversation, the Listener LLM is conditioned on a finetuned conversation goal. Finally, all the LLMs are multimodal with audio and images, allowing a simulation of multimodal recommendation and conversation. In the LLM-as-a-judge and subjective evaluation experiments, TalkPlayData 2 achieved the proposed goal in various aspects related to training a generative recommendation model for music. TalkPlayData 2 and its generation code are released at https://talkpl-ai.github.io.

While the recent developments in large language models (LLMs) have successfully enabled generative recommenders with natural language interactions, their recommendation behavior is limited, leaving other simpler yet crucial components such as metadata or attribute filtering underutilized in the system. We propose an LLM-based music recommendation system with tool calling to serve as a unified retrieval-reranking pipeline. Our system positions an LLM as an end-to-end recommendation system that interprets user intent, plans tool invocations, and orchestrates specialized components: boolean filters (SQL), sparse retrieval (BM25), dense retrieval (embedding similarity), and generative retrieval (semantic IDs). Through tool planning, the system predicts which types of tools to use, their execution order, and the arguments needed to find music matching user preferences, supporting diverse modalities while seamlessly integrating multiple database filtering methods. We demonstrate that this unified tool-calling framework achieves competitive performance across diverse recommendation scenarios by selectively employing appropriate retrieval methods based on user queries, envisioning a new paradigm for conversational music recommendation systems.

Safety-aligned LLMs respond to prompts with either compliance or refusal, each corresponding to distinct directions in the model's activation space. Recent works show that initializing attacks via self-transfer from other prompts significantly enhances their performance. However, the underlying mechanisms of these initializations remain unclear, and attacks utilize arbitrary or hand-picked initializations. This work presents that each gradient-based jailbreak attack and subsequent initialization gradually converge to a single compliance direction that suppresses refusal, thereby enabling an efficient transition from refusal to compliance. Based on this insight, we propose CRI, an initialization framework that aims to project unseen prompts further along compliance directions. We demonstrate our approach on multiple attacks, models, and datasets, achieving an increased attack success rate (ASR) and reduced computational overhead, highlighting the fragility of safety-aligned LLMs. A reference implementation is available at: https://amit1221levi.github.io/CRI-Jailbreak-Init-LLMs-evaluation.

In this paper, we propose DeMuon, a method for decentralized matrix optimization over a given communication topology. DeMuon incorporates matrix orthogonalization via Newton-Schulz iterations-a technique inherited from its centralized predecessor, Muon-and employs gradient tracking to mitigate heterogeneity among local functions. Under heavy-tailed noise conditions and additional mild assumptions, we establish the iteration complexity of DeMuon for reaching an approximate stochastic stationary point. This complexity result matches the best-known complexity bounds of centralized algorithms in terms of dependence on the target tolerance. To the best of our knowledge, DeMuon is the first direct extension of Muon to decentralized optimization over graphs with provable complexity guarantees. We conduct preliminary numerical experiments on decentralized transformer pretraining over graphs with varying degrees of connectivity. Our numerical results demonstrate a clear margin of improvement of DeMuon over other popular decentralized algorithms across different network topologies.

This paper focuses on the decentralized stochastic optimization problem $f(\mathbf{x})=\frac{1}{m}\sum_{i=1}^m f_i(\mathbf{x})$ over a connected network of $n$ agents, where each local function has the form of $f_i(\mathbf{x}) = {\mathbb E}\left[F(\mathbf{x};{\boldsymbol ξ}_i)\right]$ which satisfies the $(L_0,L_1)$-smooth condition but possibly nonconvex and each random variable ${\boldsymbol ξ}_i$ follows distribution ${\mathcal D}_i$. We propose a novel algorithm called decentralized normalized stochastic gradient descent (DNSGD), which can achieve an $ε$-stationary point at each local agent. We present a new framework for analyzing decentralized first-order methods in the $(L_0,L_1)$-smooth setting, based on the Lyapunov function related to the product of the gradient norm and the consensus error. We show that the proposed algorithm attains the upper bounds on the sample complexity of ${\mathcal O}(m^{-1}(L_fσ^2Δ_fε^{-4} + σ^2ε^{-2} + L_f^{-2}L_1^3σ^2Δ_fε^{-1} + L_f^{-2}L_1^2σ^2))$ per agent and the communication complexity of $\tilde{\mathcal O}((L_fε^{-2} + L_1ε^{-1})γ^{-1/2}Δ_f)$, where $L_f=L_0 +L_1ζ$, $σ^2$ is the variance of the stochastic gradient, $Δ_f$ is the initial optimal function value gap, $γ$ is the spectral gap of the network, and $ζ$ is the degree of the gradient dissimilarity. In the special case of $L_1=0$, the above results (nearly) match the lower bounds of decentralized stochastic nonconvex optimization under the standard smoothness. We also conduct numerical experiments to show the empirical superiority of our method.

The complementarity-determining regions of antibodies are loop structures that are key to their interactions with antigens, and of high importance to the design of novel biologics. Since the 1980s, categorizing the diversity of CDR structures into canonical clusters has enabled the identification of key structural motifs of antibodies. However, existing approaches have limited coverage and cannot be readily incorporated into protein foundation models. Here we introduce ImmunoGlobulin LOOp Tokenizer, Igloo, a multimodal antibody loop tokenizer that encodes backbone dihedral angles and sequence. Igloo is trained using a contrastive learning objective to map loops with similar backbone dihedral angles closer together in latent space. Igloo can efficiently retrieve the closest matching loop structures from a structural antibody database, outperforming existing methods on identifying similar H3 loops by 5.9\%. Igloo assigns tokens to all loops, addressing the limited coverage issue of canonical clusters, while retaining the ability to recover canonical loop conformations. To demonstrate the versatility of Igloo tokens, we show that they can be incorporated into protein language models with IglooLM and IglooALM. On predicting binding affinity of heavy chain variants, IglooLM outperforms the base protein language model on 8 out of 10 antibody-antigen targets. Additionally, it is on par with existing state-of-the-art sequence-based and multimodal protein language models, performing comparably to models with $7\times$ more parameters. IglooALM samples antibody loops which are diverse in sequence and more consistent in structure than state-of-the-art antibody inverse folding models. Igloo demonstrates the benefit of introducing multimodal tokens for antibody loops for encoding the diverse landscape of antibody loops, improving protein foundation models, and for antibody CDR design.

Efficient inference of Multi-Head Latent Attention (MLA) is challenged by deploying the DeepSeek-R1 671B model on a single Multi-GPU server. This paper introduces FlashMLA-ETAP, a novel framework that enhances MLA inference for the single-instance deployment scenario on NVIDIA H20 GPUs. We propose the Efficient Transpose Attention Pipeline (ETAP), which reconfigures attention computation through transposition to align the KV context length with the \(M\)-dimension in WGMMA operations, significantly reducing redundant computations. FlashMLA-ETAP achieves a 2.78x speedup over FlashMLA at 64K sequence length (batch size 16), with 5.24x and 4.94x improvements over FlashAttention-3 and FlashInfer, respectively, while maintaining numerical stability with a 15.2x lower RMSE (\(1.25 \times 10^{-5}\)) than FlashAttention-3. Furthermore, ETAP's design enables seamless integration into frameworks like FlashAttention-3 and FlashInfer, supported by a detailed theoretical analysis. Our work addresses a critical gap in resource-constrained inference, offering a scalable solution for mid-tier GPUs and paving the way for broader adoption in hardware-aware optimization. Code is available at https://github.com/pengcuo/FlashMLA-ETAP.

The Boolean Fourier representation has been widely used in learning theory, particularly for learning Disjunctive Normal Form (DNF) under uniform and product distributions. Extending these results to non-product distributions has remained a longstanding open problem. We address this challenge by introducing a generalized Fourier representation that enables learning under a broad class of non-product distributions. Our approach represents any distribution $D$ as a Bayesian network (BN) and derives a corresponding Fourier expansion. We show that standard Fourier-based learning techniques using membership queries to identify heavy coefficients can be adapted to this generalized representation with minor modifications. We prove that the $L_1$ spectral norm of conjunctions remains bounded under this expansion for difference-bounded tree BNs, significantly generalizing the known result for uniform distributions; matching lower bounds demonstrate the necessity of these constraints. Using these results, we establish the learnability of DNF and the agnostic learnability of decision trees under such distributions. Finally, we present an algorithm for learning difference-bounded tree BN distributions, extending our results to settings where the distribution is unknown.

We present TALKPLAY, a novel multimodal music recommendation system that reformulates recommendation as a token generation problem using large language models (LLMs). By leveraging the instruction-following and natural language generation capabilities of LLMs, our system effectively recommends music from diverse user queries while generating contextually relevant responses. While pretrained LLMs are primarily designed for text modality, TALKPLAY extends their scope through two key innovations: a multimodal music tokenizer that encodes audio features, lyrics, metadata, semantic tags, and playlist co-occurrence signals; and a vocabulary expansion mechanism that enables unified processing and generation of both linguistic and music-relevant tokens. By integrating the recommendation system directly into the LLM architecture, TALKPLAY transforms conventional systems by: (1) unifying previous two-stage conversational recommendation systems (recommendation engines and dialogue managers) into a cohesive end-to-end system, (2) effectively utilizing long conversational context for recommendation while maintaining strong performance in extended multi-turn interactions, and (3) generating natural language responses for seamless user interaction. Our qualitative and quantitative evaluation demonstrates that TALKPLAY significantly outperforms unimodal approaches based solely on text or listening history in both recommendation performance and conversational naturalness.

In this paper, we investigate the data-driven identification of asymmetric interaction kernels in the Motsch-Tadmor model based on observed trajectory data. The model under consideration is governed by a class of semilinear evolution equations, where the interaction kernel defines a normalized, state-dependent Laplacian operator that governs collective dynamics. To address the resulting nonlinear inverse problem, we propose a variational framework that reformulates kernel identification using the implicit form of the governing equations, reducing it to a subspace identification problem. We establish an identifiability result that characterizes conditions under which the interaction kernel can be uniquely recovered up to scale. To solve the inverse problem robustly, we develop a sparse Bayesian learning algorithm that incorporates informative priors for regularization, quantifies uncertainty, and enables principled model selection. Extensive numerical experiments on representative interacting particle systems demonstrate the accuracy, robustness, and interpretability of the proposed framework across a range of noise levels and data regimes.

Knowledge of the primordial matter density field from which the large-scale structure of the Universe emerged over cosmic time is of fundamental importance for cosmology. However, reconstructing these cosmological initial conditions from late-time observations is a notoriously difficult task, which requires advanced cosmological simulators and sophisticated statistical methods to explore a multi-million-dimensional parameter space. We show how simulation-based inference (SBI) can be used to tackle this problem and to obtain data-constrained realisations of the primordial dark matter density field in a simulation-efficient way with general non-differentiable simulators. Our method is applicable to full high-resolution dark matter $N$-body simulations and is based on modelling the posterior distribution of the constrained initial conditions to be Gaussian with a diagonal covariance matrix in Fourier space. As a result, we can generate thousands of posterior samples within seconds on a single GPU, orders of magnitude faster than existing methods, paving the way for sequential SBI for cosmological fields. Furthermore, we perform an analytical fit of the estimated dependence of the covariance on the wavenumber, effectively transforming any point-estimator of initial conditions into a fast sampler. We test the validity of our obtained samples by comparing them to the true values with summary statistics and performing a Bayesian consistency test.

The deployment of Large Language Models (LLMs) in recommender systems for predicting Click-Through Rates (CTR) necessitates a delicate balance between computational efficiency and predictive accuracy. This paper presents an optimization framework that combines Retrieval-Augmented Generation (RAG) with an innovative multi-head early exit architecture to concurrently enhance both aspects. By integrating Graph Convolutional Networks (GCNs) as efficient retrieval mechanisms, we are able to significantly reduce data retrieval times while maintaining high model performance. The early exit strategy employed allows for dynamic termination of model inference, utilizing real-time predictive confidence assessments across multiple heads. This not only quickens the responsiveness of LLMs but also upholds or improves their accuracy, making it ideal for real-time application scenarios. Our experiments demonstrate how this architecture effectively decreases computation time without sacrificing the accuracy needed for reliable recommendation delivery, establishing a new standard for efficient, real-time LLM deployment in commercial systems.

The rise of Artificial Intelligence and Large Language Models is driving increased GPU usage in data centers for complex training and inference tasks, impacting operational costs, energy demands, and the environmental footprint of large-scale computing infrastructures. This work addresses the online scheduling problem in GPU datacenters, which involves scheduling tasks without knowledge of their future arrivals. We focus on two objectives: minimizing GPU fragmentation and reducing power consumption. GPU fragmentation occurs when partial GPU allocations hinder the efficient use of remaining resources, especially as the datacenter nears full capacity. A recent scheduling policy, Fragmentation Gradient Descent (FGD), leverages a fragmentation metric to address this issue. Reducing power consumption is also crucial due to the significant power demands of GPUs. To this end, we propose PWR, a novel scheduling policy to minimize power usage by selecting power-efficient GPU and CPU combinations. This involves a simplified model for measuring power consumption integrated into a Kubernetes score plugin. Through an extensive experimental evaluation in a simulated cluster, we show how PWR, when combined with FGD, achieves a balanced trade-off between reducing power consumption and minimizing GPU fragmentation.

Semidefinite programs (SDPs) and their solvers are powerful tools with many applications in machine learning and data science. Designing scalable SDP solvers is challenging because by standard the positive semidefinite decision variable is an $n \times n$ dense matrix, even though the input is often an $n \times n$ sparse matrix. However, the solution may not require a full-rank matrix, as shown by Barvinok and Pataki. Two decades ago, Burer and Monteiro developed an SDP solver \texttt{SDPLR} that optimizes over a low-rank factorization instead of the full matrix. This greatly decreases the storage cost and works well for many problems. The original solver \texttt{SDPLR} tracks only the primal infeasibility of the solution, preventing early termination at moderate accuracy. We use a suboptimality bound for trace-bounded SDP problems that enables us to track the progress better and perform early termination. We then develop \texttt{SDPLR+}, which starts the optimization with an extremely low-rank factorization and dynamically updates the rank based on the primal infeasibility and suboptimality. This further speeds up the computation and saves storage. Numerical comparisons on Max Cut, Minimum Bisection, Cut Norm, and Lovász Theta problems with many recent memory-efficient scalable SDP solvers demonstrate the scalability of \texttt{SDPLR+} up to problems with million-by-million decision variables. It is often the fastest solver to a moderate accuracy of $10^{-2}$. Further experiments on $μ$-conductance, matrix completion, and $k$-means clustering show the potential of \texttt{SDPLR+} on a broader range of data science applications.

This paper investigates "free lunch" strategies to boost the performance of lidar semantic scene completion (SSC) without requiring complex architectural redesigns. We first demonstrate that endowing input point clouds with semantic pseudo-labels from off-the-shelf segmentors significantly improves the performance of existing architectures. By evaluating these models against an oracle, we establish that high-quality semantic priors are a primary driver of mIoU gains. Furthermore, we equip the input lidar scan with visibility information that distinguishes between empty and unknown spaces, which provides a secondary performance boost across the tested architectures. Using these simple enhancements, we observe that older models remain competitive with state-of-the-art systems, and can even outperform them. Our code is available at https://github.com/astra-vision/SSC-Priors.

Quantities with measurement units, such as 110 cm and 1.2 m, require language models (LMs) to combine a numeral with a symbolic unit scale. Here, we study how LMs compare such quantities in controlled settings spanning several unit systems. We find that accuracy degrades near the comparison boundary, where small changes in value determine the correct answer. The resulting errors are systematic: linear surrogate models predict LM preferences from numerical-difference and unit-scale-difference cues, and causal interventions on subspaces aligned with these variables shift model's output. The results suggest that LMs compare quantities through a bag of heuristics over numerals and units, rather than first converting both expressions to an exact shared-scale representation.