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Sep 15

The CAMELS project: Cosmology and Astrophysics with MachinE Learning Simulations

We present the Cosmology and Astrophysics with MachinE Learning Simulations --CAMELS-- project. CAMELS is a suite of 4,233 cosmological simulations of (25~h^{-1}{rm Mpc})^3 volume each: 2,184 state-of-the-art (magneto-)hydrodynamic simulations run with the AREPO and GIZMO codes, employing the same baryonic subgrid physics as the IllustrisTNG and SIMBA simulations, and 2,049 N-body simulations. The goal of the CAMELS project is to provide theory predictions for different observables as a function of cosmology and astrophysics, and it is the largest suite of cosmological (magneto-)hydrodynamic simulations designed to train machine learning algorithms. CAMELS contains thousands of different cosmological and astrophysical models by way of varying Omega_m, sigma_8, and four parameters controlling stellar and AGN feedback, following the evolution of more than 100 billion particles and fluid elements over a combined volume of (400~h^{-1}{rm Mpc})^3. We describe the simulations in detail and characterize the large range of conditions represented in terms of the matter power spectrum, cosmic star formation rate density, galaxy stellar mass function, halo baryon fractions, and several galaxy scaling relations. We show that the IllustrisTNG and SIMBA suites produce roughly similar distributions of galaxy properties over the full parameter space but significantly different halo baryon fractions and baryonic effects on the matter power spectrum. This emphasizes the need for marginalizing over baryonic effects to extract the maximum amount of information from cosmological surveys. We illustrate the unique potential of CAMELS using several machine learning applications, including non-linear interpolation, parameter estimation, symbolic regression, data generation with Generative Adversarial Networks (GANs), dimensionality reduction, and anomaly detection.

  • 22 authors
·
Oct 1, 2020

Combined Scheduling, Memory Allocation and Tensor Replacement for Minimizing Off-Chip Data Accesses of DNN Accelerators

Specialized hardware accelerators have been extensively used for Deep Neural Networks (DNNs) to provide power/performance benefits. These accelerators contain specialized hardware that supports DNN operators, and scratchpad memory for storing the tensor operands. Often, the size of the scratchpad is insufficient to store all the tensors needed for the computation, and additional data accesses are needed to move tensors back and forth from host memory during the computation with significant power/performance overhead. The volume of these additional data accesses depends on the operator schedule, and memory allocation (specific locations selected for the tensors in the scratchpad). We propose an optimization framework, named COSMA, for mapping DNNs to an accelerator that finds the optimal operator schedule, memory allocation and tensor replacement that minimizes the additional data accesses. COSMA provides an Integer Linear Programming (ILP) formulation to generate the optimal solution for mapping a DNN to the accelerator for a given scratchpad size. We demonstrate that, using an off-the-shelf ILP solver, COSMA obtains the optimal solution in seconds for a wide-range of state-of-the-art DNNs for different applications. Further, it out-performs existing methods by reducing on average 84% of the non-compulsory data accesses. We further propose a divide-and-conquer heuristic to scale up to certain complex DNNs generated by Neural Architecture Search, and this heuristic solution reduces on average 85% data accesses compared with other works.

  • 3 authors
·
Nov 29, 2023

VolTA-3D: Self-Supervised Learning for Brain MRI using 3D Volumetric Token Alignment

Self-supervised learning (SSL) has advanced medical image analysis be enabling learning form large unlabelled data. However, in brain magnetic resonance imaging (MRI), most 3D models remain specialized for either segmentation of classification, limiting their ability to generalize across datasets, imaging protocols,, and downstream tasks. This lack of transferability constrains the clinical utility of 3D MRI models, despite the availability of unlabeled volumetric data. We present Volta-3D, a self-supervised 3D Vision Transformer framework designed to learn transferable volumetric representations. Volta-3D jointly aligns global class-style tokens and local patch tokens within a student-teacher paradigm and enforces fine-grained structural reconstruction. This combined global-local alignment addresses the limited semantic diversity and subtle anatomical characteristics of brain MRI, which challenges existing SSL approaches. We evaluate Volta-3D on multiple out-of-distribution downstream tasks, including hippocampal segmentation and classification of sex and Alzheimer's disease versus healthy controls. Across all tasks, representations learned by Volta-3D outperform randomly initialized baselines, demonstrating improved transferability and robustness under domain shift. Hence jointly enforcing global semantic consistency and local structural learning during pretraining enables broader concept learning from unlabeled brain MRI data. Overall VolTA-3D supports effective multi-task downstream performance with task-specific pertaining, a step towards generalizable and clinically viable 3D models.

  • 5 authors
·
May 15

OmniCT: Towards a Unified Slice-Volume LVLM for Comprehensive CT Analysis

Computed Tomography (CT) is one of the most widely used and diagnostically information-dense imaging modalities, covering critical organs such as the heart, lungs, liver, and colon. Clinical interpretation relies on both slice-driven local features (e.g., sub-centimeter nodules, lesion boundaries) and volume-driven spatial representations (e.g., tumor infiltration, inter-organ anatomical relations). However, existing Large Vision-Language Models (LVLMs) remain fragmented in CT slice versus volumetric understanding: slice-driven LVLMs show strong generalization but lack cross-slice spatial consistency, while volume-driven LVLMs explicitly capture volumetric semantics but suffer from coarse granularity and poor compatibility with slice inputs. The absence of a unified modeling paradigm constitutes a major bottleneck for the clinical translation of medical LVLMs. We present OmniCT, a powerful unified slice-volume LVLM for CT scenarios, which makes three contributions: (i) Spatial Consistency Enhancement (SCE): volumetric slice composition combined with tri-axial positional embedding that introduces volumetric consistency, and an MoE hybrid projection enables efficient slice-volume adaptation; (ii) Organ-level Semantic Enhancement (OSE): segmentation and ROI localization explicitly align anatomical regions, emphasizing lesion- and organ-level semantics; (iii) MedEval-CT: the largest slice-volume CT dataset and hybrid benchmark integrates comprehensive metrics for unified evaluation. OmniCT consistently outperforms existing methods with a substantial margin across diverse clinical tasks and satisfies both micro-level detail sensitivity and macro-level spatial reasoning. More importantly, it establishes a new paradigm for cross-modal medical imaging understanding. Our project is available at https://github.com/ZJU4HealthCare/OmniCT.

  • 15 authors
·
Feb 17

Contrastive learning of global and local features for medical image segmentation with limited annotations

A key requirement for the success of supervised deep learning is a large labeled dataset - a condition that is difficult to meet in medical image analysis. Self-supervised learning (SSL) can help in this regard by providing a strategy to pre-train a neural network with unlabeled data, followed by fine-tuning for a downstream task with limited annotations. Contrastive learning, a particular variant of SSL, is a powerful technique for learning image-level representations. In this work, we propose strategies for extending the contrastive learning framework for segmentation of volumetric medical images in the semi-supervised setting with limited annotations, by leveraging domain-specific and problem-specific cues. Specifically, we propose (1) novel contrasting strategies that leverage structural similarity across volumetric medical images (domain-specific cue) and (2) a local version of the contrastive loss to learn distinctive representations of local regions that are useful for per-pixel segmentation (problem-specific cue). We carry out an extensive evaluation on three Magnetic Resonance Imaging (MRI) datasets. In the limited annotation setting, the proposed method yields substantial improvements compared to other self-supervision and semi-supervised learning techniques. When combined with a simple data augmentation technique, the proposed method reaches within 8% of benchmark performance using only two labeled MRI volumes for training, corresponding to only 4% (for ACDC) of the training data used to train the benchmark. The code is made public at https://github.com/krishnabits001/domain_specific_cl.

  • 4 authors
·
Jun 18, 2020

PREPING: Building Agent Memory without Tasks

Agent memory is typically constructed either offline from curated demonstrations or online from post-deployment interactions. However, regardless of how it is built, an agent faces a cold-start gap when first introduced to a new environment without any task-specific experience available. In this paper, we study pre-task memory construction: whether an agent can build procedural memory before observing any target-environment tasks, using only self-generated synthetic practice. Yet, synthetic interaction alone is insufficient, as without controlling what to practice and what to store, synthetic tasks become redundant, infeasible, and ultimately uninformative, and memory further degrades quickly due to unfiltered trajectories. To overcome this, we present Preping, a proposer-guided memory construction framework. At its core is proposer memory, a structured control state that shapes future practice. A Proposer generates synthetic tasks conditioned on this state, a Solver executes them, and a Validator determines which trajectories are eligible for memory insertion while also providing feedback to guide future proposals. Experiments on AppWorld, BFCL v3, and MCP-Universe show that Preping substantially improves over a no-memory baseline and achieves performance competitive with strong playbook-based methods built from offline or online experience, with deployment cost 2.99times lower on AppWorld and 2.23times lower on BFCL v3 than online memory construction. Further analyses reveal that the main benefit does not come from synthetic volume alone, but from proposer-side control over feasibility, redundancy, and coverage, combined with selective memory updates.

kaist-ai KAIST AI
·
May 10 2

Radiation-magnetohydrodynamics with MPI-AMRVAC using flux-limited diffusion

Context. Radiation plays a significant role in solar and astrophysical environments as it may constitute a sizeable fraction of the energy density, momentum flux, and the total pressure. Modelling the dynamic interaction between radiation and magnetized plasmas in such environments is an intricate and computationally costly task. Aims. The goal of this work is to demonstrate the capabilities of the open-source parallel, block-adaptive computational framework MPI-AMRVAC, in solving equations of radiation-magnetohydrodynamics (RMHD), and to present benchmark test cases relevant for radiation-dominated magnetized plasmas. Methods. The existing magnetohydrodynamics (MHD) and flux-limited diffusion (FLD) radiative-hydrodynamics physics modules are combined to solve the equations of radiation-magnetohydrodynamics (RMHD) on block-adaptive finite volume Cartesian meshes in any dimensionality. Results. We introduce and validate several benchmark test cases such as steady radiative MHD shocks, radiation-damped linear MHD waves, radiation-modified Riemann problems and a multi-dimensional radiative magnetoconvection case. We recall the basic governing Rankine-Hugoniot relations for shocks and the dispersion relation for linear MHD waves in the presence of optically thick radiation fields where the diffusion limit is reached. The RMHD system allows for 8 linear wave types, where the classical 7-wave MHD picture (entropy and three wave pairs for slow, Alfven and fast) is augmented with a radiative diffusion mode. Conclusions. The MPI-AMRVAC code now has the capability to perform multidimensional RMHD simulations with mesh adaptation making it well-suited for larger scientific applications to study magnetized matter-radiation interactions in solar and stellar interiors and atmospheres.

  • 5 authors
·
Mar 4, 2025

Cream of the Crop: Harvesting Rich, Scalable and Transferable Multi-Modal Data for Instruction Fine-Tuning

The hypothesis that pretrained large language models (LLMs) necessitate only minimal supervision during the fine-tuning (SFT) stage (Zhou et al., 2024) has been substantiated by recent advancements in data curation and selection research. However, their stability and generalizability are compromised due to the vulnerability to experimental setups and validation protocols, falling short of surpassing random sampling (Diddee & Ippolito, 2024; Xia et al., 2024b). Built upon LLMs, multi-modal LLMs (MLLMs), combined with the sheer token volume and heightened heterogeneity of data sources, amplify both the significance and complexity of data selection. To harvest multi-modal instructional data in a robust and efficient manner, we re-define the granularity of the quality metric by decomposing it into 14 vision-language-related capabilities, and introduce multi-modal rich scorers to evaluate the capabilities of each data candidate. To promote diversity, in light of the inherent objective of the alignment stage, we take interaction style as diversity indicator and use a multi-modal rich styler to identify data instruction patterns. In doing so, our multi-modal rich scorers and styler (mmSSR) guarantee that high-scoring information is conveyed to users in diversified forms. Free from embedding-based clustering or greedy sampling, mmSSR efficiently scales to millions of data with varying budget constraints, supports customization for general or specific capability acquisition, and facilitates training-free generalization to new domains for curation. Across 10+ experimental settings, validated by 14 multi-modal benchmarks, we demonstrate consistent improvements over random sampling, baseline strategies and state-of-the-art selection methods, achieving 99.1% of full performance with only 30% of the 2.6M data.

  • 8 authors
·
Mar 17, 2025

Nine-Year Wilkinson Microwave Anisotropy Probe (WMAP) Observations: Final Maps and Results

We present the final nine-year maps and basic results from the WMAP mission. We provide new nine-year full sky temperature maps that were processed to reduce the asymmetry of the effective beams. Temperature and polarization sky maps are examined to separate CMB anisotropy from foreground emission, and both types of signals are analyzed in detail. The WMAP mission has resulted in a highly constrained LCDM cosmological model with precise and accurate parameters in agreement with a host of other cosmological measurements. When WMAP data are combined with finer scale CMB, baryon acoustic oscillation, and Hubble constant measurements, we find that Big Bang nucleosynthesis is well supported and there is no compelling evidence for a non-standard number of neutrino species (3.84+/-0.40). The model fit also implies that the age of the universe is 13.772+/-0.059 Gyr, and the fit Hubble constant is H0 = 69.32+/-0.80 km/s/Mpc. Inflation is also supported: the fluctuations are adiabatic, with Gaussian random phases; the detection of a deviation of the scalar spectral index from unity reported earlier by WMAP now has high statistical significance (n_s = 0.9608+/-0.0080); and the universe is close to flat/Euclidean, Omega_k = -0.0027 (+0.0039/-0.0038). Overall, the WMAP mission has resulted in a reduction of the cosmological parameter volume by a factor of 68,000 for the standard six-parameter LCDM model, based on CMB data alone. For a model including tensors, the allowed seven-parameter volume has been reduced by a factor 117,000. Other cosmological observations are in accord with the CMB predictions, and the combined data reduces the cosmological parameter volume even further. With no significant anomalies and an adequate goodness-of-fit, the inflationary flat LCDM model and its precise and accurate parameters rooted in WMAP data stands as the standard model of cosmology.

  • 21 authors
·
Jun 3, 2013

Pharmacology Knowledge Graphs: Do We Need Chemical Structure for Drug Repurposing?

The contributions of model complexity, data volume, and feature modalities to knowledge graph-based drug repurposing remain poorly quantified under rigorous temporal validation. We constructed a pharmacology knowledge graph from ChEMBL 36 comprising 5,348 entities including 3,127 drugs, 1,156 proteins, and 1,065 indications. A strict temporal split was enforced with training data up to 2022 and testing data from 2023 to 2025, together with biologically verified hard negatives mined from failed assays and clinical trials. We benchmarked five knowledge graph embedding models and a standard graph neural network with 3.44 million parameters that incorporates drug chemical structure using a graph attention encoder and ESM-2 protein embeddings. Scaling experiments ranging from 0.78 to 9.75 million parameters and from 25 to 100 percent of the data, together with feature ablation studies, were used to isolate the contributions of model capacity, graph density, and node feature modalities. Removing the graph attention based drug structure encoder and retaining only topological embeddings combined with ESM-2 protein features improved drug protein PR-AUC from 0.5631 to 0.5785 while reducing VRAM usage from 5.30 GB to 353 MB. Replacing the drug encoder with Morgan fingerprints further degraded performance, indicating that explicit chemical structure representations can be detrimental for predicting pharmacological network interactions. Increasing model size beyond 2.44 million parameters yielded diminishing returns, whereas increasing training data consistently improved performance. External validation confirmed 6 of the top 14 novel predictions as established therapeutic indications. These results show that drug pharmacological behavior can be accurately predicted using target-centric information and drug network topology alone, without requiring explicit chemical structure representations.

  • 3 authors
·
Mar 1

SCONE: Surface Coverage Optimization in Unknown Environments by Volumetric Integration

Next Best View computation (NBV) is a long-standing problem in robotics, and consists in identifying the next most informative sensor position(s) for reconstructing a 3D object or scene efficiently and accurately. Like most current methods, we consider NBV prediction from a depth sensor like Lidar systems. Learning-based methods relying on a volumetric representation of the scene are suitable for path planning, but have lower accuracy than methods using a surface-based representation. However, the latter do not scale well with the size of the scene and constrain the camera to a small number of poses. To obtain the advantages of both representations, we show that we can maximize surface metrics by Monte Carlo integration over a volumetric representation. In particular, we propose an approach, SCONE, that relies on two neural modules: The first module predicts occupancy probability in the entire volume of the scene. Given any new camera pose, the second module samples points in the scene based on their occupancy probability and leverages a self-attention mechanism to predict the visibility of the samples. Finally, we integrate the visibility to evaluate the gain in surface coverage for the new camera pose. NBV is selected as the pose that maximizes the gain in total surface coverage. Our method scales to large scenes and handles free camera motion: It takes as input an arbitrarily large point cloud gathered by a depth sensor as well as camera poses to predict NBV. We demonstrate our approach on a novel dataset made of large and complex 3D scenes.

  • 3 authors
·
Aug 22, 2022

Mirasol3B: A Multimodal Autoregressive model for time-aligned and contextual modalities

One of the main challenges of multimodal learning is the need to combine heterogeneous modalities (e.g., video, audio, text). For example, video and audio are obtained at much higher rates than text and are roughly aligned in time. They are often not synchronized with text, which comes as a global context, e.g., a title, or a description. Furthermore, video and audio inputs are of much larger volumes, and grow as the video length increases, which naturally requires more compute dedicated to these modalities and makes modeling of long-range dependencies harder. We here decouple the multimodal modeling, dividing it into separate, focused autoregressive models, processing the inputs according to the characteristics of the modalities. We propose a multimodal model, called Mirasol3B, consisting of an autoregressive component for the time-synchronized modalities (audio and video), and an autoregressive component for the context modalities which are not necessarily aligned in time but are still sequential. To address the long-sequences of the video-audio inputs, we propose to further partition the video and audio sequences in consecutive snippets and autoregressively process their representations. To that end, we propose a Combiner mechanism, which models the audio-video information jointly within a timeframe. The Combiner learns to extract audio and video features from raw spatio-temporal signals, and then learns to fuse these features producing compact but expressive representations per snippet. Our approach achieves the state-of-the-art on well established multimodal benchmarks, outperforming much larger models. It effectively addresses the high computational demand of media inputs by both learning compact representations, controlling the sequence length of the audio-video feature representations, and modeling their dependencies in time.

  • 6 authors
·
Nov 9, 2023 1

H3R: Hybrid Multi-view Correspondence for Generalizable 3D Reconstruction

Despite recent advances in feed-forward 3D Gaussian Splatting, generalizable 3D reconstruction remains challenging, particularly in multi-view correspondence modeling. Existing approaches face a fundamental trade-off: explicit methods achieve geometric precision but struggle with ambiguous regions, while implicit methods provide robustness but suffer from slow convergence. We present H3R, a hybrid framework that addresses this limitation by integrating volumetric latent fusion with attention-based feature aggregation. Our framework consists of two complementary components: an efficient latent volume that enforces geometric consistency through epipolar constraints, and a camera-aware Transformer that leverages Plücker coordinates for adaptive correspondence refinement. By integrating both paradigms, our approach enhances generalization while converging 2times faster than existing methods. Furthermore, we show that spatial-aligned foundation models (e.g., SD-VAE) substantially outperform semantic-aligned models (e.g., DINOv2), resolving the mismatch between semantic representations and spatial reconstruction requirements. Our method supports variable-number and high-resolution input views while demonstrating robust cross-dataset generalization. Extensive experiments show that our method achieves state-of-the-art performance across multiple benchmarks, with significant PSNR improvements of 0.59 dB, 1.06 dB, and 0.22 dB on the RealEstate10K, ACID, and DTU datasets, respectively. Code is available at https://github.com/JiaHeng-DLUT/H3R.

  • 3 authors
·
Aug 4, 2025

Skill-Mix: a Flexible and Expandable Family of Evaluations for AI models

With LLMs shifting their role from statistical modeling of language to serving as general-purpose AI agents, how should LLM evaluations change? Arguably, a key ability of an AI agent is to flexibly combine, as needed, the basic skills it has learned. The capability to combine skills plays an important role in (human) pedagogy and also in a paper on emergence phenomena (Arora & Goyal, 2023). This work introduces Skill-Mix, a new evaluation to measure ability to combine skills. Using a list of N skills the evaluator repeatedly picks random subsets of k skills and asks the LLM to produce text combining that subset of skills. Since the number of subsets grows like N^k, for even modest k this evaluation will, with high probability, require the LLM to produce text significantly different from any text in the training set. The paper develops a methodology for (a) designing and administering such an evaluation, and (b) automatic grading (plus spot-checking by humans) of the results using GPT-4 as well as the open LLaMA-2 70B model. Administering a version of to popular chatbots gave results that, while generally in line with prior expectations, contained surprises. Sizeable differences exist among model capabilities that are not captured by their ranking on popular LLM leaderboards ("cramming for the leaderboard"). Furthermore, simple probability calculations indicate that GPT-4's reasonable performance on k=5 is suggestive of going beyond "stochastic parrot" behavior (Bender et al., 2021), i.e., it combines skills in ways that it had not seen during training. We sketch how the methodology can lead to a Skill-Mix based eco-system of open evaluations for AI capabilities of future models.

  • 6 authors
·
Oct 26, 2023